| 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 | 38.2 | Very low | 67.4 | Low | 206 Ų | 206 | 150.3 Ų | 150.3 | 100% | 1.015 | 70% | 0.703 | S | S | * | * | 0 | 104.7 | 0 | -78.1 | -172.2 | -158.7 | 0 | 0 | 105.6 | E3 | M1-E3 PolarHBondContact O-N 3.14Š| |||
| 2 | E | 43.5 | Very low | 69.3 | Low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 68% | 0.682 | S | S | * | * | trans | -63.2 | 118.6 | 166.6 | -74.8 | 171 | 151.6 | 0 | 0 | 107 | R4 | E2-R4 PolarHBondContact O-N 3.23Š| ||
| 3 | E | 45.9 | Very low | 70.9 | Confident | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 66% | 0.656 | S | S | * | * | trans | -54.8 | 115.2 | 165.6 | -80.7 | -180 | 149.4 | 0 | 0 | 106.7 | M1 R5 | M1-E3 PolarHBondContact O-N 3.14Å; E3-R5 PolarHBondContact O-N 3.12Å | ||
| 4 | R | 50.5 | Low | 72.4 | Confident | 232 Ų | 232 | 129.4 Ų | 129.4 | 88% | 0.875 | 62% | 0.615 | S | S | * | * | trans | -65.4 | 90.8 | 171.9 | -71.9 | -177.9 | 178 | -178.6 | -1.6 | 106.6 | E2 F6 | E2-R4 PolarHBondContact O-N 3.23Å; R4-F6 PolarHBondContact O-N 3.11Å | ||
| 5 | R | 64.3 | Low | 73.7 | Confident | 231 Ų | 231 | 123.7 Ų | 123.7 | 87% | 0.872 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 122.8 | 166.8 | -84.7 | -175.2 | 173.3 | -178.6 | -3.3 | 106.8 | E3 | E3-R5 PolarHBondContact O-N 3.12Š|
| 6 | F | 68.7 | Low | 74.7 | Confident | 146 Ų | 146 | 121.6 Ų | 121.6 | 64% | 0.64 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 148.1 | 170.8 | -65 | -78.2 | 0 | 0 | 0 | 107.8 | R4 E8 | R4-F6 PolarHBondContact O-N 3.11Å; F6-E8 PolarHBondContact O-N 3.08Å |
| 7 | A | 75.3 | Confident | 75.7 | Confident | 97 Ų | 97 | 122.6 Ų | 122.6 | 80% | 0.802 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -63 | 121.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||
| 8 | E | 85.3 | Confident | 76.7 | Confident | 145 Ų | 145 | 116.6 Ų | 116.6 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | trans | -113.4 | 132.5 | 179.7 | -73.4 | 168.8 | -167.1 | 0 | 0 | 107.8 | F6 | F6-E8 PolarHBondContact O-N 3.08Š| ||
| 9 | V | 88.8 | Confident | 77.5 | Confident | 42 Ų | 42 | 116.3 Ų | 116.3 | 26% | 0.255 | 56% | 0.557 | S | S | . | * | trans | -69.6 | 123.5 | 170.7 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | V14 V37 C38 L41 | V9-V14 HydrophobicContact CG1-CG2 4.14Å; V9-V37 HydrophobicContact CG2-CG1 4.21Å; V9-C38 PolarHBondContact N-SG 3.06Å; V9-L41 HydrophobicContact CG2-CD1 3.94Å | ||
| 10 | P | 89.8 | Confident | 78.2 | Confident | 64 Ų | 64 | 115.7 Ų | 115.7 | 42% | 0.416 | 57% | 0.566 | S | S | . | * | trans | -69.1 | 142 | -178.4 | 28.1 | -32.8 | 0 | 0 | 0 | 109.9 | E12 S13 V14 | P10-E12 WeakPolarHBondContact CB-OE2 3.48Å; P10-E12 PolarHBondContact O-N 3.44Å; P10-S13 WeakPolarHBondContact CG-OG 3.41Å; P10-S13 WeakPolarHBondContact O-CB 3.44Å; P10-S13 PolarHBondContact O-N 3.28Å; P10-V14 PolarHBondContact O-N 3.4Å | ||
| 11 | R | 90.9 | Very high | 78.9 | Confident | 120 Ų | 120 | 113.9 Ų | 113.9 | 45% | 0.453 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.3 | -30.5 | 176.8 | 61.6 | -175.3 | 177.9 | 178 | 0 | 111.9 | S13 V14 K15 A30 | R11-S13 VanDerWaalsContact C-N 3.33Å; R11-S13 PolarHBondContact O-N 3.44Å; R11-V14 PolarHBondContact O-N 3.06Å; R11-K15 PolarHBondContact O-N 2.95Å; R11-A30 HydrophobicContact CB-CB 4.35Å |
| 12 | E | 90.2 | Very high | 81.5 | Confident | 96 Ų | 96 | 107.6 Ų | 107.6 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.8 | -38.4 | 175.9 | -62.4 | 75 | -160.6 | 0 | 0 | 111.2 | P10 K15 L16 | P10-E12 WeakPolarHBondContact CB-OE2 3.48Å; P10-E12 PolarHBondContact O-N 3.44Å; E12-K15 PolarHBondContact O-N 3.18Å; E12-L16 VanDerWaalsContact O-CG 3.31Å; E12-L16 WeakPolarHBondContact O-CG 3.42Å; E12-L16 PolarHBondContact O-N 3.38Å |
| 13 | S | 90.1 | Very high | 84 | Confident | 50 Ų | 50 | 102 Ų | 102 | 35% | 0.35 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 174.5 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | P10 R11 L16 M17 | P10-S13 WeakPolarHBondContact CG-OG 3.41Å; P10-S13 WeakPolarHBondContact O-CB 3.44Å; P10-S13 PolarHBondContact O-N 3.28Å; R11-S13 VanDerWaalsContact C-N 3.33Å; R11-S13 PolarHBondContact O-N 3.44Å; S13-L16 PolarHBondContact O-N 2.97Å; S13-M17 WeakPolarHBondContact O-CG 3.41Å; S13-M17 PolarHBondContact O-N 3.23Å |
| 14 | V | 92.2 | Very high | 86.2 | Confident | 12 Ų | 12 | 102.2 Ų | 102.2 | 7% | 0.073 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 177.1 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | V9 P10 R11 M17 A18 L25 L33 A34 | V9-V14 HydrophobicContact CG1-CG2 4.14Å; P10-V14 PolarHBondContact O-N 3.4Å; R11-V14 PolarHBondContact O-N 3.06Å; V14-M17 PolarHBondContact O-N 2.93Å; V14-A18 PolarHBondContact O-N 3.27Å; V14-L25 HydrophobicContact CG1-CD1 4.29Å; V14-L33 HydrophobicContact CG1-CB 4.09Å; V14-L33 HydrophobicContact CG1-CD2 3.59Å; V14-L33 HydrophobicContact CG1-CG 3.97Å; V14-A34 HydrophobicContact CG2-CB 3.87Å |
| 15 | K | 92.5 | Very high | 88.2 | Confident | 45 Ų | 45 | 93.4 Ų | 93.4 | 20% | 0.196 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 173.7 | -74.9 | -179.5 | 169.6 | -172.6 | 0 | 112.3 | R11 E12 M17 A18 E19 D27 A30 | R11-K15 PolarHBondContact O-N 2.95Å; E12-K15 PolarHBondContact O-N 3.18Å; K15-M17 VanDerWaalsContact C-N 3.27Å; K15-M17 PolarHBondContact O-N 3.33Å; K15-A18 WeakPolarHBondContact O-CB 3.45Å; K15-A18 PolarHBondContact O-N 3.23Å; K15-E19 WeakPolarHBondContact O-CG 3.38Å; K15-E19 PolarHBondContact O-N 3.33Å; K15-D27 WeakPolarHBondContact CE-OD1 3.44Å; K15-D27 VanDerWaalsContact NZ-CG 3.26Å; K15-D27 IonicContact NZ-OD1 2.62Å; K15-D27 PolarHBondContact NZ-OD1 3.11Å; K15-D27 IonicContact NZ-OD2 3.9Å; K15-A30 HydrophobicContact CD-CB 4.41Å; K15-A30 HydrophobicContact CG-CB 3.72Å |
| 16 | L | 90 | Very high | 89.6 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 47% | 0.466 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | 177.5 | -71.5 | 171 | 0 | 0 | 0 | 112.2 | E12 S13 S20 | E12-L16 VanDerWaalsContact O-CG 3.31Å; E12-L16 WeakPolarHBondContact O-CG 3.42Å; E12-L16 PolarHBondContact O-N 3.38Å; S13-L16 PolarHBondContact O-N 2.97Å; L16-S20 PolarHBondContact O-N 3.06Å |
| 17 | M | 91 | Very high | 90.8 | Very high | 139 Ų | 139 | 82.3 Ų | 82.3 | 69% | 0.685 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.7 | -38.7 | 174 | -71.9 | -177 | 79.4 | 0 | 0 | 112.2 | S13 V14 K15 S20 A21 | S13-M17 WeakPolarHBondContact O-CG 3.41Å; S13-M17 PolarHBondContact O-N 3.23Å; V14-M17 PolarHBondContact O-N 2.93Å; K15-M17 VanDerWaalsContact C-N 3.27Å; K15-M17 PolarHBondContact O-N 3.33Å; M17-S20 PolarHBondContact O-N 3.5Å; M17-S20 PolarHBondContact O-OG 3.38Å; M17-A21 PolarHBondContact O-N 2.95Å |
| 18 | A | 93.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 83.9 Ų | 83.9 | 12% | 0.124 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V14 K15 S20 A21 G22 V23 L25 | V14-A18 PolarHBondContact O-N 3.27Å; K15-A18 WeakPolarHBondContact O-CB 3.45Å; K15-A18 PolarHBondContact O-N 3.23Å; A18-S20 VanDerWaalsContact C-N 3.27Å; A18-S20 PolarHBondContact O-N 2.88Å; A18-A21 CarbonylContact O-C 3.57Å; A18-A21 WeakPolarHBondContact O-CA 3.24Å; A18-A21 WeakPolarHBondContact O-CB 3.24Å; A18-A21 PolarHBondContact O-N 3Å; A18-G22 PolarHBondContact O-N 3.42Å; A18-V23 CarbonylContact C-O 3.44Å; A18-V23 WeakPolarHBondContact CB-O 3.46Å; A18-V23 PolarHBondContact O-N 3.27Å; A18-V23 VanDerWaalsContact O-O 3.11Å; A18-L25 HydrophobicContact CB-CD1 3.39Å; A18-L25 HydrophobicContact CB-CG 3.57Å |
| 19 | E | 92.8 | Very high | 92 | Very high | 110 Ų | 110 | 80.3 Ų | 80.3 | 51% | 0.514 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 173.9 | -72.8 | 170.8 | -164 | 0 | 0 | 111.1 | K15 A21 G22 V23 | K15-E19 WeakPolarHBondContact O-CG 3.38Å; K15-E19 PolarHBondContact O-N 3.33Å; E19-A21 PolarHBondContact O-N 3Å; E19-G22 WeakPolarHBondContact O-CA 3.47Å; E19-G22 PolarHBondContact O-N 2.98Å; E19-V23 PolarHBondContact N-O 3.25Å |
| 20 | S | 91.3 | Very high | 92.3 | Very high | 105 Ų | 105 | 78.3 Ų | 78.3 | 73% | 0.734 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63 | -24.2 | 174.5 | 82.3 | 0 | 0 | 0 | 0 | 113.5 | L16 M17 A18 | L16-S20 PolarHBondContact O-N 3.06Å; M17-S20 PolarHBondContact O-N 3.5Å; M17-S20 PolarHBondContact O-OG 3.38Å; A18-S20 VanDerWaalsContact C-N 3.27Å; A18-S20 PolarHBondContact O-N 2.88Å |
| 21 | A | 93.2 | Very high | 92.3 | Very high | 78 Ų | 78 | 77.4 Ų | 77.4 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M17 A18 E19 | M17-A21 PolarHBondContact O-N 2.95Å; A18-A21 CarbonylContact O-C 3.57Å; A18-A21 WeakPolarHBondContact O-CA 3.24Å; A18-A21 WeakPolarHBondContact O-CB 3.24Å; A18-A21 PolarHBondContact O-N 3Å; E19-A21 PolarHBondContact O-N 3Å |
| 22 | G | 93.1 | Very high | 92.4 | Very high | 73 Ų | 73 | 77.5 Ų | 77.5 | 75% | 0.753 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 22.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A18 E19 | A18-G22 PolarHBondContact O-N 3.42Å; E19-G22 WeakPolarHBondContact O-CA 3.47Å; E19-G22 PolarHBondContact O-N 2.98Å |
| 23 | V | 94.3 | Very high | 92.6 | Very high | 74 Ų | 74 | 76.7 Ų | 76.7 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | trans | -122.3 | 130.2 | -177.2 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | A18 E19 L25 | A18-V23 CarbonylContact C-O 3.44Å; A18-V23 WeakPolarHBondContact CB-O 3.46Å; A18-V23 PolarHBondContact O-N 3.27Å; A18-V23 VanDerWaalsContact O-O 3.11Å; E19-V23 PolarHBondContact N-O 3.25Å; V23-L25 HydrophobicContact CG1-CD2 4.33Å | ||
| 24 | E | 92.9 | Very high | 92.7 | Very high | 183 Ų | 183 | 74.6 Ų | 74.6 | 86% | 0.855 | 44% | 0.439 | S | S | * | . | trans | -90.5 | 131.7 | 171.4 | -67.5 | -178.4 | 178.1 | 0 | 0 | 110.8 | ||||
| 25 | L | 92.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 80.2 Ų | 80.2 | 25% | 0.246 | 46% | 0.464 | C | S | . | . | trans | -111.3 | 138.4 | 179.3 | -67.4 | 179.9 | 0 | 0 | 0 | 111.4 | V14 A18 V23 V29 | V14-L25 HydrophobicContact CG1-CD1 4.29Å; A18-L25 HydrophobicContact CB-CD1 3.39Å; A18-L25 HydrophobicContact CB-CG 3.57Å; V23-L25 HydrophobicContact CG1-CD2 4.33Å; L25-V29 HydrophobicContact CD2-CG1 4.15Å | ||
| 26 | S | 94.7 | Very high | 92.6 | Very high | 65 Ų | 65 | 81.8 Ų | 81.8 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | trans | -69.1 | 155 | 167.9 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | D28 V29 A30 | S26-D28 VanDerWaalsContact C-N 3.26Å; S26-D28 PolarHBondContact O-N 3.31Å; S26-V29 PolarHBondContact O-N 3.38Å; S26-V29 WeakPolarHBondContact OG-CG2 3.37Å; S26-A30 PolarHBondContact O-N 2.86Å | ||
| 27 | D | 92.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 80.2 Ų | 80.2 | 43% | 0.428 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.2 | -40.9 | -178.9 | -74.1 | 41 | 0 | 0 | 0 | 112.9 | K15 A30 A31 | K15-D27 WeakPolarHBondContact CE-OD1 3.44Å; K15-D27 VanDerWaalsContact NZ-CG 3.26Å; K15-D27 IonicContact NZ-OD1 2.62Å; K15-D27 PolarHBondContact NZ-OD1 3.11Å; K15-D27 IonicContact NZ-OD2 3.9Å; D27-A30 PolarHBondContact O-N 3.02Å; D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.31Å |
| 28 | D | 93.4 | Very high | 92.7 | Very high | 129 Ų | 129 | 73.9 Ų | 73.9 | 69% | 0.69 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | -178.2 | -60.8 | -30.1 | 0 | 0 | 0 | 111.9 | S26 A31 L32 | S26-D28 VanDerWaalsContact C-N 3.26Å; S26-D28 PolarHBondContact O-N 3.31Å; D28-A31 PolarHBondContact O-N 3.33Å; D28-L32 WeakPolarHBondContact O-CG 3.38Å; D28-L32 PolarHBondContact O-N 3.28Å; D28-L32 VanDerWaalsContact O-N 3.15Å |
| 29 | V | 93.8 | Very high | 92.6 | Very high | 71 Ų | 71 | 78.8 Ų | 78.8 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 179.1 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | L25 S26 A31 L32 L33 | L25-V29 HydrophobicContact CD2-CG1 4.15Å; S26-V29 PolarHBondContact O-N 3.38Å; S26-V29 WeakPolarHBondContact OG-CG2 3.37Å; V29-A31 VanDerWaalsContact C-N 3.31Å; V29-A31 PolarHBondContact O-N 3.04Å; V29-L32 PolarHBondContact O-N 3.43Å; V29-L33 WeakPolarHBondContact O-CB 3.36Å; V29-L33 PolarHBondContact O-N 2.65Å |
| 30 | A | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R11 K15 S26 D27 A34 | R11-A30 HydrophobicContact CB-CB 4.35Å; K15-A30 HydrophobicContact CD-CB 4.41Å; K15-A30 HydrophobicContact CG-CB 3.72Å; S26-A30 PolarHBondContact O-N 2.86Å; D27-A30 PolarHBondContact O-N 3.02Å; A30-A34 VanDerWaalsContact O-CB 3.29Å; A30-A34 WeakPolarHBondContact O-CB 3.39Å; A30-A34 PolarHBondContact O-N 3.33Å |
| 31 | A | 91 | Very high | 92.5 | Very high | 45 Ų | 45 | 77.4 Ų | 77.4 | 37% | 0.372 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D27 D28 V29 L33 A34 E35 | D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.31Å; D28-A31 PolarHBondContact O-N 3.33Å; V29-A31 VanDerWaalsContact C-N 3.31Å; V29-A31 PolarHBondContact O-N 3.04Å; A31-L33 PolarHBondContact O-N 3.32Å; A31-A34 PolarHBondContact O-N 3.04Å; A31-E35 PolarHBondContact O-N 3.15Å; A31-E35 VanDerWaalsContact O-N 3.14Å |
| 32 | L | 92.9 | Very high | 92.4 | Very high | 121 Ų | 121 | 78.2 Ų | 78.2 | 63% | 0.634 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 177.6 | -71 | 172.5 | 0 | 0 | 0 | 112.1 | D28 V29 E35 D36 | D28-L32 WeakPolarHBondContact O-CG 3.38Å; D28-L32 PolarHBondContact O-N 3.28Å; D28-L32 VanDerWaalsContact O-N 3.15Å; V29-L32 PolarHBondContact O-N 3.43Å; L32-E35 PolarHBondContact O-N 3.07Å; L32-D36 PolarHBondContact O-N 2.85Å; L32-D36 VanDerWaalsContact O-N 3.15Å |
| 33 | L | 93.9 | Very high | 92.3 | Very high | 79 Ų | 79 | 77.7 Ų | 77.7 | 41% | 0.414 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 179 | -172.1 | 62.4 | 0 | 0 | 0 | 111.6 | V14 V29 A31 E35 D36 V37 | V14-L33 HydrophobicContact CG1-CB 4.09Å; V14-L33 HydrophobicContact CG1-CD2 3.59Å; V14-L33 HydrophobicContact CG1-CG 3.97Å; V29-L33 WeakPolarHBondContact O-CB 3.36Å; V29-L33 PolarHBondContact O-N 2.65Å; A31-L33 PolarHBondContact O-N 3.32Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.37Å; L33-D36 PolarHBondContact O-N 3.47Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.49Å; L33-V37 PolarHBondContact O-N 3.23Å |
| 34 | A | 92.2 | Very high | 92.2 | Very high | 7 Ų | 7 | 74.7 Ų | 74.7 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | V14 A30 A31 V37 C38 | V14-A34 HydrophobicContact CG2-CB 3.87Å; A30-A34 VanDerWaalsContact O-CB 3.29Å; A30-A34 WeakPolarHBondContact O-CB 3.39Å; A30-A34 PolarHBondContact O-N 3.33Å; A31-A34 PolarHBondContact O-N 3.04Å; A34-V37 PolarHBondContact O-N 3.13Å; A34-C38 WeakPolarHBondContact O-CB 3.32Å; A34-C38 PolarHBondContact O-N 3.37Å; A34-C38 PolarHBondContact O-SG 3.05Å |
| 35 | E | 90.6 | Very high | 92.2 | Very high | 129 Ų | 129 | 69.5 Ų | 69.5 | 60% | 0.603 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 177.2 | -170.4 | 179 | -179.9 | 0 | 0 | 112.2 | A31 L32 L33 C38 Y39 | A31-E35 PolarHBondContact O-N 3.15Å; A31-E35 VanDerWaalsContact O-N 3.14Å; L32-E35 PolarHBondContact O-N 3.07Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.37Å; E35-C38 WeakPolarHBondContact O-CB 3.37Å; E35-C38 PolarHBondContact O-N 3.28Å; E35-Y39 PolarHBondContact O-N 3.38Å |
| 36 | D | 92.1 | Very high | 92.3 | Very high | 79 Ų | 79 | 73.1 Ų | 73.1 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 178 | -170.8 | 56.8 | 0 | 0 | 0 | 111.7 | L32 L33 C38 Y39 R40 | L32-D36 PolarHBondContact O-N 2.85Å; L32-D36 VanDerWaalsContact O-N 3.15Å; L33-D36 PolarHBondContact O-N 3.47Å; D36-C38 VanDerWaalsContact C-N 3.3Å; D36-C38 PolarHBondContact O-N 3.41Å; D36-Y39 WeakPolarHBondContact O-CB 3.31Å; D36-Y39 PolarHBondContact O-N 3.45Å; D36-Y39 VanDerWaalsContact O-N 3.11Å; D36-R40 WeakPolarHBondContact O-CG 3.49Å; D36-R40 PolarHBondContact O-N 3Å |
| 37 | V | 92.6 | Very high | 92.3 | Very high | 56 Ų | 56 | 71.1 Ų | 71.1 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 174.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | V9 L33 A34 Y39 R40 L41 | V9-V37 HydrophobicContact CG2-CG1 4.21Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.49Å; L33-V37 PolarHBondContact O-N 3.23Å; A34-V37 PolarHBondContact O-N 3.13Å; V37-Y39 VanDerWaalsContact C-N 3.33Å; V37-Y39 PolarHBondContact O-N 3.48Å; V37-R40 PolarHBondContact O-N 3.27Å; V37-L41 HydrophobicContact CG1-CD1 4.05Å; V37-L41 HydrophobicContact CG1-CG 4.44Å; V37-L41 WeakPolarHBondContact O-CB 3.48Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 3Å |
| 38 | C | 90.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 175.5 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | V9 A34 E35 D36 L41 R42 | V9-C38 PolarHBondContact N-SG 3.06Å; A34-C38 WeakPolarHBondContact O-CB 3.32Å; A34-C38 PolarHBondContact O-N 3.37Å; A34-C38 PolarHBondContact O-SG 3.05Å; E35-C38 WeakPolarHBondContact O-CB 3.37Å; E35-C38 PolarHBondContact O-N 3.28Å; D36-C38 VanDerWaalsContact C-N 3.3Å; D36-C38 PolarHBondContact O-N 3.41Å; C38-L41 PolarHBondContact O-N 3.41Å; C38-R42 WeakPolarHBondContact O-CG 3.45Å; C38-R42 PolarHBondContact O-N 3.24Å; C38-R42 VanDerWaalsContact O-N 3.08Å; C38-R42 PolarHBondContact O-NE 3.1Å |
| 39 | Y | 90.1 | Very high | 92.6 | Very high | 117 Ų | 117 | 62.9 Ų | 62.9 | 46% | 0.459 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 175.9 | 175.8 | -92.9 | 0 | 0 | 0 | 111.2 | E35 D36 V37 L41 R42 E43 | E35-Y39 PolarHBondContact O-N 3.38Å; D36-Y39 WeakPolarHBondContact O-CB 3.31Å; D36-Y39 PolarHBondContact O-N 3.45Å; D36-Y39 VanDerWaalsContact O-N 3.11Å; V37-Y39 VanDerWaalsContact C-N 3.33Å; V37-Y39 PolarHBondContact O-N 3.48Å; Y39-L41 PolarHBondContact O-N 3Å; Y39-R42 PolarHBondContact O-N 3.48Å; Y39-E43 PolarHBondContact O-N 3.01Å |
| 40 | R | 91.1 | Very high | 92.7 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 178.5 | -66.7 | -61 | -173.9 | 178.4 | 2.9 | 112.9 | D36 V37 R42 E43 A44 | D36-R40 WeakPolarHBondContact O-CG 3.49Å; D36-R40 PolarHBondContact O-N 3Å; V37-R40 PolarHBondContact O-N 3.27Å; R40-R42 PolarHBondContact O-N 3.13Å; R40-E43 IonicContact CZ-OE2 3.94Å; R40-E43 IonicContact NH1-OE2 2.63Å; R40-E43 PolarHBondContact NH1-OE2 3.46Å; R40-E43 PolarHBondContact O-N 2.63Å; R40-A44 WeakPolarHBondContact O-CB 3.3Å; R40-A44 PolarHBondContact O-N 3.37Å |
| 41 | L | 91.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 66.7 Ų | 66.7 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.4 | -76.1 | 172.2 | 0 | 0 | 0 | 112 | V9 V37 C38 Y39 T45 | V9-L41 HydrophobicContact CG2-CD1 3.94Å; V37-L41 HydrophobicContact CG1-CD1 4.05Å; V37-L41 HydrophobicContact CG1-CG 4.44Å; V37-L41 WeakPolarHBondContact O-CB 3.48Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 3Å; C38-L41 PolarHBondContact O-N 3.41Å; Y39-L41 PolarHBondContact O-N 3Å; L41-T45 VanDerWaalsContact O-CB 3.27Å; L41-T45 WeakPolarHBondContact O-CB 3.47Å; L41-T45 PolarHBondContact O-N 3.02Å; L41-T45 PolarHBondContact O-OG1 3.42Å |
| 42 | R | 90.9 | Very high | 93.2 | Very high | 94 Ų | 94 | 65.6 Ų | 65.6 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 175.6 | -73.1 | -177.5 | -69.2 | -109.9 | 4.8 | 111.6 | C38 Y39 R40 T45 Q46 | C38-R42 WeakPolarHBondContact O-CG 3.45Å; C38-R42 PolarHBondContact O-N 3.24Å; C38-R42 VanDerWaalsContact O-N 3.08Å; C38-R42 PolarHBondContact O-NE 3.1Å; Y39-R42 PolarHBondContact O-N 3.48Å; R40-R42 PolarHBondContact O-N 3.13Å; R42-T45 PolarHBondContact O-N 3.31Å; R42-Q46 WeakPolarHBondContact O-CB 3.48Å; R42-Q46 PolarHBondContact O-N 3.32Å |
| 43 | E | 91.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 176.5 | -176.1 | -179.5 | -155.6 | 0 | 0 | 111.9 | Y39 R40 Q46 S47 | Y39-E43 PolarHBondContact O-N 3.01Å; R40-E43 IonicContact CZ-OE2 3.94Å; R40-E43 IonicContact NH1-OE2 2.63Å; R40-E43 PolarHBondContact NH1-OE2 3.46Å; R40-E43 PolarHBondContact O-N 2.63Å; E43-Q46 PolarHBondContact O-N 2.64Å; E43-S47 WeakPolarHBondContact O-CB 3.39Å; E43-S47 PolarHBondContact O-N 2.94Å; E43-S47 PolarHBondContact O-OG 3.15Å |
| 44 | A | 92.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 72.3 Ų | 72.3 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R40 S47 S48 F65 | R40-A44 WeakPolarHBondContact O-CB 3.3Å; R40-A44 PolarHBondContact O-N 3.37Å; A44-S47 PolarHBondContact O-N 2.86Å; A44-S48 WeakPolarHBondContact O-CB 3.46Å; A44-S48 PolarHBondContact O-N 3Å; A44-S48 PolarHBondContact O-OG 3.01Å; A44-F65 HydrophobicContact CB-CE1 4.41Å; A44-F65 HydrophobicContact CB-CE2 4.15Å; A44-F65 HydrophobicContact CB-CZ 3.78Å |
| 45 | T | 93.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 74 Ų | 74 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 176.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | L41 R42 S48 S49 | L41-T45 VanDerWaalsContact O-CB 3.27Å; L41-T45 WeakPolarHBondContact O-CB 3.47Å; L41-T45 PolarHBondContact O-N 3.02Å; L41-T45 PolarHBondContact O-OG1 3.42Å; R42-T45 PolarHBondContact O-N 3.31Å; T45-S48 WeakPolarHBondContact CA-OG 3.28Å; T45-S48 PolarHBondContact O-OG 3.28Å; T45-S49 WeakPolarHBondContact O-CB 3.38Å; T45-S49 PolarHBondContact O-N 3.44Å |
| 46 | Q | 93.4 | Very high | 93.7 | Very high | 123 Ų | 123 | 77.4 Ų | 77.4 | 58% | 0.575 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 175.9 | 178.9 | 173.1 | -10.6 | 0 | 0 | 111.3 | R42 E43 S49 Q50 | R42-Q46 WeakPolarHBondContact O-CB 3.48Å; R42-Q46 PolarHBondContact O-N 3.32Å; E43-Q46 PolarHBondContact O-N 2.64Å; Q46-S49 WeakPolarHBondContact O-CB 3.4Å; Q46-S49 PolarHBondContact O-N 3.06Å; Q46-Q50 PolarHBondContact O-N 3.39Å |
| 47 | S | 95.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 77.3 Ų | 77.3 | 16% | 0.161 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | -179.4 | -59.7 | 0 | 0 | 0 | 0 | 112 | E43 A44 S49 Q50 F51 | E43-S47 WeakPolarHBondContact O-CB 3.39Å; E43-S47 PolarHBondContact O-N 2.94Å; E43-S47 PolarHBondContact O-OG 3.15Å; A44-S47 PolarHBondContact O-N 2.86Å; S47-S49 VanDerWaalsContact C-N 3.34Å; S47-S49 PolarHBondContact O-N 3.28Å; S47-Q50 WeakPolarHBondContact O-CB 3.45Å; S47-Q50 PolarHBondContact O-N 3.03Å; S47-Q50 VanDerWaalsContact O-N 3.11Å; S47-F51 VanDerWaalsContact O-CD2 3.24Å; S47-F51 WeakPolarHBondContact O-CD2 3.29Å; S47-F51 PolarHBondContact O-N 3.33Å |
| 48 | S | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.4 | -36 | 175.2 | 54.7 | 0 | 0 | 0 | 0 | 113 | A44 T45 Q50 F51 M52 D64 | A44-S48 WeakPolarHBondContact O-CB 3.46Å; A44-S48 PolarHBondContact O-N 3Å; A44-S48 PolarHBondContact O-OG 3.01Å; T45-S48 WeakPolarHBondContact CA-OG 3.28Å; T45-S48 PolarHBondContact O-OG 3.28Å; S48-Q50 VanDerWaalsContact C-N 3.27Å; S48-Q50 PolarHBondContact O-N 3.08Å; S48-F51 PolarHBondContact O-N 3.26Å; S48-M52 PolarHBondContact O-N 3.45Å; S48-D64 WeakPolarHBondContact CB-O 3.41Å |
| 49 | S | 96.3 | Very high | 94 | Very high | 35 Ų | 35 | 94.2 Ų | 94.2 | 25% | 0.245 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.6 | -34 | 172.2 | -170.5 | 0 | 0 | 0 | 0 | 112.7 | T45 Q46 S47 R53 | T45-S49 WeakPolarHBondContact O-CB 3.38Å; T45-S49 PolarHBondContact O-N 3.44Å; Q46-S49 WeakPolarHBondContact O-CB 3.4Å; Q46-S49 PolarHBondContact O-N 3.06Å; S47-S49 VanDerWaalsContact C-N 3.34Å; S47-S49 PolarHBondContact O-N 3.28Å; S49-R53 WeakPolarHBondContact O-CG 3.34Å; S49-R53 PolarHBondContact O-N 3.48Å |
| 50 | Q | 95.9 | Very high | 94.1 | Very high | 100 Ų | 100 | 92.2 Ų | 92.2 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 173.1 | -63.8 | 177.4 | 7.9 | 0 | 0 | 110.9 | Q46 S47 S48 M52 R53 H54 | Q46-Q50 PolarHBondContact O-N 3.39Å; S47-Q50 WeakPolarHBondContact O-CB 3.45Å; S47-Q50 PolarHBondContact O-N 3.03Å; S47-Q50 VanDerWaalsContact O-N 3.11Å; S48-Q50 VanDerWaalsContact C-N 3.27Å; S48-Q50 PolarHBondContact O-N 3.08Å; Q50-M52 VanDerWaalsContact C-N 3.3Å; Q50-M52 PolarHBondContact O-N 3.35Å; Q50-R53 PolarHBondContact O-N 2.89Å; Q50-R53 VanDerWaalsContact O-N 3.12Å; Q50-H54 PolarHBondContact O-CD2 3.11Å; Q50-H54 PolarHBondContact O-N 3.49Å |
| 51 | F | 96.2 | Very high | 94.2 | Very high | 52 Ų | 52 | 89.4 Ų | 89.4 | 23% | 0.228 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56.5 | -43 | 176.2 | -72.5 | -65.7 | 0 | 0 | 0 | 112.5 | S47 S48 R53 H54 A55 D64 R67 A68 W71 | S47-F51 VanDerWaalsContact O-CD2 3.24Å; S47-F51 WeakPolarHBondContact O-CD2 3.29Å; S47-F51 PolarHBondContact O-N 3.33Å; S48-F51 PolarHBondContact O-N 3.26Å; F51-R53 PolarHBondContact O-N 2.94Å; F51-H54 PolarHBondContact O-N 2.93Å; F51-A55 WeakPolarHBondContact O-CB 3.45Å; F51-A55 PolarHBondContact O-N 2.89Å; F51-D64 HydrophobicContact CB-CB 4.28Å; F51-R67 HydrophobicContact CD1-CB 4.24Å; F51-R67 HydrophobicContact CD2-CB 3.94Å; F51-R67 HydrophobicContact CE1-CB 4.33Å; F51-R67 HydrophobicContact CE2-CB 4.05Å; F51-R67 HydrophobicContact CG-CB 4.06Å; F51-R67 HydrophobicContact CZ-CB 4.24Å; F51-A68 HydrophobicContact CD2-CB 4.24Å; F51-A68 HydrophobicContact CE2-CB 4.2Å; F51-W71 HydrophobicContact CE2-CB 4.4Å; F51-W71 HydrophobicContact CZ-CB 4.3Å; F51-W71 HydrophobicContact CZ-CD2 4.3Å; F51-W71 HydrophobicContact CZ-CE3 4.02Å; F51-W71 HydrophobicContact CZ-CG 4.44Å |
| 52 | M | 97.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 88.2 Ų | 88.2 | 11% | 0.108 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.6 | -47 | 175.1 | 179.3 | -163.2 | 65.9 | 0 | 0 | 112.1 | S48 Q50 A55 K56 R57 R58 L60 | S48-M52 PolarHBondContact O-N 3.45Å; Q50-M52 VanDerWaalsContact C-N 3.3Å; Q50-M52 PolarHBondContact O-N 3.35Å; M52-A55 CarbonylContact O-C 3.57Å; M52-A55 PolarHBondContact O-N 3.38Å; M52-K56 PolarHBondContact O-N 3.37Å; M52-R57 HydrophobicContact CG-CB 4.13Å; M52-R57 PolarHBondContact O-N 3.15Å; M52-R58 VanDerWaalsContact SD-C 3.59Å; M52-L60 HydrophobicContact SD-CB 3.86Å; M52-L60 PolarHBondContact SD-N 3.14Å |
| 53 | R | 95.6 | Very high | 94.4 | Very high | 183 Ų | 183 | 89.4 Ų | 89.4 | 69% | 0.691 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.9 | -41.7 | 179.8 | -73.5 | 178.5 | -177.9 | -157.7 | 0.6 | 112.1 | S49 Q50 F51 A55 K56 | S49-R53 WeakPolarHBondContact O-CG 3.34Å; S49-R53 PolarHBondContact O-N 3.48Å; Q50-R53 PolarHBondContact O-N 2.89Å; Q50-R53 VanDerWaalsContact O-N 3.12Å; F51-R53 PolarHBondContact O-N 2.94Å; R53-A55 PolarHBondContact O-N 2.94Å; R53-K56 WeakPolarHBondContact O-CA 3.4Å; R53-K56 PolarHBondContact O-N 3.07Å |
| 54 | H | 95.7 | Very high | 94.6 | Very high | 157 Ų | 157 | 86.4 Ų | 86.4 | 73% | 0.727 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.1 | -30.2 | 175.4 | -76 | -67.1 | 0 | 0 | 0 | 112.1 | Q50 F51 K56 | Q50-H54 PolarHBondContact O-CD2 3.11Å; Q50-H54 PolarHBondContact O-N 3.49Å; F51-H54 PolarHBondContact O-N 2.93Å; H54-K56 PolarHBondContact O-N 2.98Å |
| 55 | A | 94.8 | Very high | 94.7 | Very high | 42 Ų | 42 | 88.3 Ų | 88.3 | 35% | 0.347 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 5.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | F51 M52 R53 R57 | F51-A55 WeakPolarHBondContact O-CB 3.45Å; F51-A55 PolarHBondContact O-N 2.89Å; M52-A55 CarbonylContact O-C 3.57Å; M52-A55 PolarHBondContact O-N 3.38Å; R53-A55 PolarHBondContact O-N 2.94Å; A55-R57 PolarHBondContact O-N 3.46Å; A55-R57 VanDerWaalsContact O-N 3.16Å |
| 56 | K | 94.8 | Very high | 94.8 | Very high | 201 Ų | 201 | 85.7 Ų | 85.7 | 87% | 0.874 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 27.8 | -176.9 | -58 | 179.2 | -179.8 | 177.9 | 0 | 113.6 | M52 R53 H54 | M52-K56 PolarHBondContact O-N 3.37Å; R53-K56 WeakPolarHBondContact O-CA 3.4Å; R53-K56 PolarHBondContact O-N 3.07Å; H54-K56 PolarHBondContact O-N 2.98Å |
| 57 | R | 94.8 | Very high | 94.8 | Very high | 78 Ų | 78 | 85 Ų | 85 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | trans | -101.3 | 156.2 | 177.3 | -73.2 | -175.6 | -75.3 | 101.7 | -1.9 | 111 | M52 A55 K59 T61 D64 | M52-R57 HydrophobicContact CG-CB 4.13Å; M52-R57 PolarHBondContact O-N 3.15Å; A55-R57 PolarHBondContact O-N 3.46Å; A55-R57 VanDerWaalsContact O-N 3.16Å; R57-K59 PolarHBondContact NH1-O 3.5Å; R57-K59 VanDerWaalsContact NH1-O 3.17Å; R57-T61 PolarHBondContact NH1-OG1 3.37Å; R57-D64 IonicContact CZ-OD1 3.32Å; R57-D64 IonicContact CZ-OD2 3.31Å; R57-D64 IonicContact NH1-OD1 3.31Å; R57-D64 IonicContact NH1-OD2 3.09Å; R57-D64 PolarHBondContact NH1-OD2 2.99Å; R57-D64 IonicContact NH2-OD1 2.64Å; R57-D64 PolarHBondContact NH2-OD1 3.32Å; R57-D64 IonicContact NH2-OD2 3.14Å; R57-D64 PolarHBondContact NH2-OD2 3.15Å | ||
| 58 | R | 93.6 | Very high | 94.9 | Very high | 247 Ų | 247 | 83.9 Ų | 83.9 | 93% | 0.932 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -106.7 | -12.3 | 174 | -61.6 | -179.1 | 73.5 | 170.7 | 2.6 | 113.2 | M52 | M52-R58 VanDerWaalsContact SD-C 3.59Š|
| 59 | K | 93.8 | Very high | 94.7 | Very high | 169 Ų | 169 | 84.8 Ų | 84.8 | 74% | 0.735 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -108.6 | 123.6 | 178.8 | -172.1 | 178.1 | -179 | -177.7 | 0 | 108.8 | R57 | R57-K59 PolarHBondContact NH1-O 3.5Å; R57-K59 VanDerWaalsContact NH1-O 3.17Å |
| 60 | L | 92.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 90 Ų | 90 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | trans | -75.1 | 127.5 | 176.5 | -170.5 | 132.2 | 0 | 0 | 0 | 108.7 | M52 D64 | M52-L60 HydrophobicContact SD-CB 3.86Å; M52-L60 PolarHBondContact SD-N 3.14Å; L60-D64 HydrophobicContact CG-CB 4.38Å | ||
| 61 | T | 92.8 | Very high | 94.5 | Very high | 47 Ų | 47 | 94.7 Ų | 94.7 | 29% | 0.288 | 41% | 0.412 | S | S | . | . | trans | -108.6 | 163.3 | -179.5 | 63.1 | 0 | 0 | 0 | 0 | 111 | R57 E63 D64 F65 | R57-T61 PolarHBondContact NH1-OG1 3.37Å; T61-E63 PolarHBondContact O-N 3.44Å; T61-D64 PolarHBondContact N-OD2 2.98Å; T61-D64 WeakPolarHBondContact O-CB 3.42Å; T61-D64 PolarHBondContact O-N 2.97Å; T61-D64 PolarHBondContact OG1-OD2 3.46Å; T61-F65 PolarHBondContact O-N 3.14Å | ||
| 62 | V | 93.4 | Very high | 94.3 | Very high | 56 Ų | 56 | 94.5 Ų | 94.5 | 34% | 0.339 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.8 | -35.5 | 173.9 | -178 | 0 | 0 | 0 | 0 | 110.9 | D64 F65 N66 | V62-D64 VanDerWaalsContact C-N 3.33Å; V62-D64 PolarHBondContact O-N 3.42Å; V62-F65 PolarHBondContact O-N 3.23Å; V62-N66 WeakPolarHBondContact O-CB 3.36Å; V62-N66 PolarHBondContact O-N 2.85Å |
| 63 | E | 93.4 | Very high | 94.1 | Very high | 119 Ų | 119 | 101.1 Ų | 101.1 | 56% | 0.556 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.9 | -37.6 | 175.7 | -67 | -173.7 | -170.4 | 0 | 0 | 113.4 | T61 F65 N66 R67 | T61-E63 PolarHBondContact O-N 3.44Å; E63-F65 VanDerWaalsContact C-N 3.3Å; E63-N66 PolarHBondContact O-N 3.5Å; E63-R67 WeakPolarHBondContact O-CB 3.22Å; E63-R67 VanDerWaalsContact O-CG 3.22Å; E63-R67 WeakPolarHBondContact O-CG 3.45Å; E63-R67 PolarHBondContact O-N 3.32Å; E63-R67 IonicContact OE2-NH2 3.55Å; E63-R67 PolarHBondContact OE2-NH2 3.42Å |
| 64 | D | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 96.1 Ų | 96.1 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 177 | -63.3 | -40.2 | 0 | 0 | 0 | 110.9 | S48 F51 R57 L60 T61 V62 R67 A68 | S48-D64 WeakPolarHBondContact CB-O 3.41Å; F51-D64 HydrophobicContact CB-CB 4.28Å; R57-D64 IonicContact CZ-OD1 3.32Å; R57-D64 IonicContact CZ-OD2 3.31Å; R57-D64 IonicContact NH1-OD1 3.31Å; R57-D64 IonicContact NH1-OD2 3.09Å; R57-D64 PolarHBondContact NH1-OD2 2.99Å; R57-D64 IonicContact NH2-OD1 2.64Å; R57-D64 PolarHBondContact NH2-OD1 3.32Å; R57-D64 IonicContact NH2-OD2 3.14Å; R57-D64 PolarHBondContact NH2-OD2 3.15Å; L60-D64 HydrophobicContact CG-CB 4.38Å; T61-D64 PolarHBondContact N-OD2 2.98Å; T61-D64 WeakPolarHBondContact O-CB 3.42Å; T61-D64 PolarHBondContact O-N 2.97Å; T61-D64 PolarHBondContact OG1-OD2 3.46Å; V62-D64 VanDerWaalsContact C-N 3.33Å; V62-D64 PolarHBondContact O-N 3.42Å; D64-R67 PolarHBondContact O-N 3.31Å; D64-A68 PolarHBondContact O-N 3.07Å |
| 65 | F | 94.6 | Very high | 93.8 | Very high | 51 Ų | 51 | 97.1 Ų | 97.1 | 22% | 0.224 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.3 | -44.6 | 176.8 | -153.3 | -89 | 0 | 0 | 0 | 111.6 | A44 T61 V62 E63 R67 A68 L69 | A44-F65 HydrophobicContact CB-CE1 4.41Å; A44-F65 HydrophobicContact CB-CE2 4.15Å; A44-F65 HydrophobicContact CB-CZ 3.78Å; T61-F65 PolarHBondContact O-N 3.14Å; V62-F65 PolarHBondContact O-N 3.23Å; E63-F65 VanDerWaalsContact C-N 3.3Å; F65-R67 VanDerWaalsContact C-N 3.29Å; F65-R67 PolarHBondContact O-N 3.38Å; F65-A68 WeakPolarHBondContact O-CA 3.08Å; F65-A68 WeakPolarHBondContact O-CB 3.4Å; F65-A68 PolarHBondContact O-N 3.18Å; F65-L69 HydrophobicContact CD1-CD1 3.88Å; F65-L69 HydrophobicContact CD1-CG 4Å; F65-L69 HydrophobicContact CE1-CD1 4.03Å; F65-L69 HydrophobicContact CE1-CD2 4.07Å; F65-L69 HydrophobicContact CE1-CG 4.05Å; F65-L69 WeakPolarHBondContact O-CG 3.36Å; F65-L69 PolarHBondContact O-N 2.93Å |
| 66 | N | 95.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 96.9 Ų | 96.9 | 11% | 0.107 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.7 | -30.7 | 175.5 | -82 | -18.6 | 0 | 0 | 0 | 112.8 | V62 E63 R70 A76 I77 | V62-N66 WeakPolarHBondContact O-CB 3.36Å; V62-N66 PolarHBondContact O-N 2.85Å; E63-N66 PolarHBondContact O-N 3.5Å; N66-R70 VanDerWaalsContact O-CG 3.3Å; N66-R70 WeakPolarHBondContact O-CG 3.44Å; N66-R70 PolarHBondContact O-N 3.41Å; N66-R70 VanDerWaalsContact O-N 3.14Å; N66-A76 HydrophobicContact CB-CB 4.15Å; N66-I77 PolarHBondContact ND2-O 3.41Å; N66-I77 VanDerWaalsContact ND2-O 3.1Å; N66-I77 PolarHBondContact OD1-N 2.93Å |
| 67 | R | 94.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 91.4 Ų | 91.4 | 40% | 0.404 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 170 | -73.6 | 172 | -161.6 | -167.1 | 6.6 | 111.6 | F51 E63 D64 F65 R70 W71 | F51-R67 HydrophobicContact CD1-CB 4.24Å; F51-R67 HydrophobicContact CD2-CB 3.94Å; F51-R67 HydrophobicContact CE1-CB 4.33Å; F51-R67 HydrophobicContact CE2-CB 4.05Å; F51-R67 HydrophobicContact CG-CB 4.06Å; F51-R67 HydrophobicContact CZ-CB 4.24Å; E63-R67 WeakPolarHBondContact O-CB 3.22Å; E63-R67 VanDerWaalsContact O-CG 3.22Å; E63-R67 WeakPolarHBondContact O-CG 3.45Å; E63-R67 PolarHBondContact O-N 3.32Å; E63-R67 IonicContact OE2-NH2 3.55Å; E63-R67 PolarHBondContact OE2-NH2 3.42Å; D64-R67 PolarHBondContact O-N 3.31Å; F65-R67 VanDerWaalsContact C-N 3.29Å; F65-R67 PolarHBondContact O-N 3.38Å; R67-R70 PolarHBondContact O-N 2.91Å; R67-W71 WeakPolarHBondContact O-CB 3.37Å; R67-W71 PolarHBondContact O-N 2.82Å |
| 68 | A | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 91.9 Ų | 91.9 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F51 D64 F65 W71 S72 | F51-A68 HydrophobicContact CD2-CB 4.24Å; F51-A68 HydrophobicContact CE2-CB 4.2Å; D64-A68 PolarHBondContact O-N 3.07Å; F65-A68 WeakPolarHBondContact O-CA 3.08Å; F65-A68 WeakPolarHBondContact O-CB 3.4Å; F65-A68 PolarHBondContact O-N 3.18Å; A68-W71 WeakPolarHBondContact O-CB 3.37Å; A68-W71 PolarHBondContact O-N 2.93Å; A68-S72 PolarHBondContact O-N 3.2Å; A68-S72 VanDerWaalsContact O-N 3.08Å; A68-S72 PolarHBondContact O-OG 3.35Å |
| 69 | L | 93.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 83.8 Ų | 83.8 | 11% | 0.105 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 176.2 | -68.3 | 177 | 0 | 0 | 0 | 111.5 | F65 W71 S72 N73 V74 I77 | F65-L69 HydrophobicContact CD1-CD1 3.88Å; F65-L69 HydrophobicContact CD1-CG 4Å; F65-L69 HydrophobicContact CE1-CD1 4.03Å; F65-L69 HydrophobicContact CE1-CD2 4.07Å; F65-L69 HydrophobicContact CE1-CG 4.05Å; F65-L69 WeakPolarHBondContact O-CG 3.36Å; F65-L69 PolarHBondContact O-N 2.93Å; L69-W71 VanDerWaalsContact C-N 3.27Å; L69-W71 PolarHBondContact O-N 3.49Å; L69-S72 CarbonylContact O-C 3.27Å; L69-S72 WeakPolarHBondContact O-CA 3.24Å; L69-S72 PolarHBondContact O-N 3.08Å; L69-N73 PolarHBondContact O-N 3.49Å; L69-V74 CarbonylContact C-O 3.03Å; L69-V74 VanDerWaalsContact C-O 3.27Å; L69-V74 HydrophobicContact CB-CB 4.17Å; L69-V74 HydrophobicContact CB-CG1 4.49Å; L69-V74 HydrophobicContact CD2-CB 4.2Å; L69-V74 HydrophobicContact CD2-CG1 4.07Å; L69-V74 WeakPolarHBondContact O-CA 3.5Å; L69-V74 WeakPolarHBondContact O-CB 3.46Å; L69-V74 PolarHBondContact O-N 3.32Å; L69-I77 HydrophobicContact CD1-CD1 3.94Å; L69-I77 HydrophobicContact CD1-CG1 3.78Å |
| 70 | R | 94.4 | Very high | 91.9 | Very high | 144 Ų | 144 | 82.3 Ų | 82.3 | 54% | 0.543 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 176.3 | -70.1 | -178.5 | -160.9 | 115 | -2.1 | 112.4 | N66 R67 S72 N73 V74 A76 | N66-R70 VanDerWaalsContact O-CG 3.3Å; N66-R70 WeakPolarHBondContact O-CG 3.44Å; N66-R70 PolarHBondContact O-N 3.41Å; N66-R70 VanDerWaalsContact O-N 3.14Å; R67-R70 PolarHBondContact O-N 2.91Å; R70-S72 PolarHBondContact O-N 3.44Å; R70-N73 PolarHBondContact O-N 2.93Å; R70-V74 PolarHBondContact N-O 3.44Å; R70-A76 HydrophobicContact CG-CB 4.36Å |
| 71 | W | 92.9 | Very high | 91.2 | Very high | 198 Ų | 198 | 81.7 Ų | 81.7 | 75% | 0.75 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.4 | -35 | 175.8 | -173.4 | -84.5 | 0 | 0 | 0 | 112.2 | F51 R67 A68 L69 N73 | F51-W71 HydrophobicContact CE2-CB 4.4Å; F51-W71 HydrophobicContact CZ-CB 4.3Å; F51-W71 HydrophobicContact CZ-CD2 4.3Å; F51-W71 HydrophobicContact CZ-CE3 4.02Å; F51-W71 HydrophobicContact CZ-CG 4.44Å; R67-W71 WeakPolarHBondContact O-CB 3.37Å; R67-W71 PolarHBondContact O-N 2.82Å; A68-W71 WeakPolarHBondContact O-CB 3.37Å; A68-W71 PolarHBondContact O-N 2.93Å; L69-W71 VanDerWaalsContact C-N 3.27Å; L69-W71 PolarHBondContact O-N 3.49Å; W71-N73 VanDerWaalsContact C-N 3.26Å; W71-N73 PolarHBondContact O-N 3.34Å |
| 72 | S | 91.7 | Very high | 90.5 | Very high | 49 Ų | 49 | 83.1 Ų | 83.1 | 34% | 0.343 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 13.8 | 175.1 | -59 | 0 | 0 | 0 | 0 | 113.7 | A68 L69 R70 V74 | A68-S72 PolarHBondContact O-N 3.2Å; A68-S72 VanDerWaalsContact O-N 3.08Å; A68-S72 PolarHBondContact O-OG 3.35Å; L69-S72 CarbonylContact O-C 3.27Å; L69-S72 WeakPolarHBondContact O-CA 3.24Å; L69-S72 PolarHBondContact O-N 3.08Å; R70-S72 PolarHBondContact O-N 3.44Å; S72-V74 PolarHBondContact O-N 2.94Å |
| 73 | N | 93.3 | Very high | 89.5 | Confident | 161 Ų | 161 | 90.2 Ų | 90.2 | 86% | 0.861 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 31.4 | -174.3 | -62.2 | -42.4 | 0 | 0 | 0 | 114 | L69 R70 W71 | L69-N73 PolarHBondContact O-N 3.49Å; R70-N73 PolarHBondContact O-N 2.93Å; W71-N73 VanDerWaalsContact C-N 3.26Å; W71-N73 PolarHBondContact O-N 3.34Å |
| 74 | V | 93.3 | Very high | 88.8 | Confident | 77 Ų | 77 | 90.9 Ų | 90.9 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 141.7 | 173 | -177 | 0 | 0 | 0 | 0 | 109.1 | L69 R70 S72 | L69-V74 CarbonylContact C-O 3.03Å; L69-V74 VanDerWaalsContact C-O 3.27Å; L69-V74 HydrophobicContact CB-CB 4.17Å; L69-V74 HydrophobicContact CB-CG1 4.49Å; L69-V74 HydrophobicContact CD2-CB 4.2Å; L69-V74 HydrophobicContact CD2-CG1 4.07Å; L69-V74 WeakPolarHBondContact O-CA 3.5Å; L69-V74 WeakPolarHBondContact O-CB 3.46Å; L69-V74 PolarHBondContact O-N 3.32Å; R70-V74 PolarHBondContact N-O 3.44Å; S72-V74 PolarHBondContact O-N 2.94Å |
| 75 | E | 92.1 | Very high | 87.9 | Confident | 179 Ų | 179 | 95.1 Ų | 95.1 | 84% | 0.836 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -60 | 141 | 176.3 | -65.6 | -173 | 166.4 | 0 | 0 | 111.3 | ||
| 76 | A | 89.8 | Confident | 87.2 | Confident | 37 Ų | 37 | 97 Ų | 97 | 31% | 0.306 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 140.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N66 R70 A78 | N66-A76 HydrophobicContact CB-CB 4.15Å; R70-A76 HydrophobicContact CG-CB 4.36Å; A76-A78 PolarHBondContact O-N 3.28Å |
| 77 | I | 89.1 | Confident | 86.4 | Confident | 85 Ų | 85 | 98.7 Ų | 98.7 | 44% | 0.436 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -80.8 | 118 | 179.4 | -52.7 | 174.3 | 0 | 0 | 0 | 108.1 | N66 L69 Y80 | N66-I77 PolarHBondContact ND2-O 3.41Å; N66-I77 VanDerWaalsContact ND2-O 3.1Å; N66-I77 PolarHBondContact OD1-N 2.93Å; L69-I77 HydrophobicContact CD1-CD1 3.94Å; L69-I77 HydrophobicContact CD1-CG1 3.78Å; I77-Y80 HydrophobicContact CG2-CD2 3.54Å; I77-Y80 HydrophobicContact CG2-CE2 3.49Å; I77-Y80 VanDerWaalsContact CG2-CE2 3.49Å |
| 78 | A | 87.1 | Confident | 85.9 | Confident | 88 Ų | 88 | 100.6 Ų | 100.6 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 162.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A76 Y80 | A76-A78 PolarHBondContact O-N 3.28Å; A78-Y80 WeakPolarHBondContact O-CD2 3.42Å |
| 79 | G | 83.9 | Confident | 85.4 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 87.2 | 2.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 80 | Y | 82.4 | Confident | 85 | Confident | 137 Ų | 137 | 108.6 Ų | 108.6 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | trans | -117.6 | 144.5 | 177.3 | -63.9 | -89.7 | 0 | 0 | 0 | 111.5 | I77 A78 L86 | I77-Y80 HydrophobicContact CG2-CD2 3.54Å; I77-Y80 HydrophobicContact CG2-CE2 3.49Å; I77-Y80 VanDerWaalsContact CG2-CE2 3.49Å; A78-Y80 WeakPolarHBondContact O-CD2 3.42Å; Y80-L86 HydrophobicContact CD1-CD1 3.7Å; Y80-L86 HydrophobicContact CE1-CD1 3.62Å | ||
| 81 | G | 76.8 | Confident | 84.5 | Confident | 62 Ų | 62 | 105.5 Ų | 105.5 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | trans | 119.9 | -0.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 82 | A | 78.4 | Confident | 83.6 | Confident | 77 Ų | 77 | 106.2 Ų | 106.2 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | trans | -61.6 | 153.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | D84 | A82-D84 PolarHBondContact O-N 3.05Š| ||
| 83 | Q | 72 | Confident | 82.4 | Confident | 205 Ų | 205 | 112.9 Ų | 112.9 | 96% | 0.958 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -72.7 | -20.9 | 173.5 | -66 | -170.1 | 16.8 | 0 | 0 | 112.1 | ||
| 84 | D | 78.4 | Confident | 81 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -67.9 | 136.2 | 179.5 | -59.6 | -45.8 | 0 | 0 | 0 | 110.9 | A82 | A82-D84 PolarHBondContact O-N 3.05Š|
| 85 | A | 77.1 | Confident | 80 | Confident | 89 Ų | 89 | 112.8 Ų | 112.8 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | trans | -69.1 | 141.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P87 | A85-P87 WeakPolarHBondContact O-CD 3.41Š| ||
| 86 | L | 79.3 | Confident | 79.4 | Confident | 89 Ų | 89 | 108.8 Ų | 108.8 | 47% | 0.466 | 62% | 0.618 | S | S | . | * | trans | -96.9 | 93.1 | 170.6 | -65.9 | 173.4 | 0 | 0 | 0 | 108.7 | Y80 F88 V99 | Y80-L86 HydrophobicContact CD1-CD1 3.7Å; Y80-L86 HydrophobicContact CE1-CD1 3.62Å; L86-F88 PolarHBondContact O-N 3.26Å; L86-V99 HydrophobicContact CB-CG1 4.26Å; L86-V99 HydrophobicContact CD2-CG1 4.25Å | ||
| 87 | P | 79.7 | Confident | 79.1 | Confident | 57 Ų | 57 | 113.6 Ų | 113.6 | 37% | 0.37 | 63% | 0.632 | S | S | . | * | trans | -72.4 | 120.1 | -176.9 | 29 | -34.6 | 0 | 0 | 0 | 110.9 | A85 D100 | A85-P87 WeakPolarHBondContact O-CD 3.41Å; P87-D100 HydrophobicContact CG-CB 4.27Å; P87-D100 PolarHBondContact O-N 3.1Å | ||
| 88 | F | 83 | Confident | 78.9 | Confident | 147 Ų | 147 | 113.8 Ų | 113.8 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.1 | 122.7 | 166.9 | -71.4 | -89.1 | 0 | 0 | 0 | 109.5 | L86 F98 V99 | L86-F88 PolarHBondContact O-N 3.26Å; F88-F98 WeakPolarHBondContact CA-O 3.34Å; F88-V99 HydrophobicContact CD1-CG2 3.97Å; F88-V99 HydrophobicContact CE1-CG2 3.61Å; F88-V99 HydrophobicContact CZ-CG2 4.04Å |
| 89 | R | 85 | Confident | 78.8 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 38% | 0.377 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 134 | 179.1 | -64.1 | -167.8 | -175.5 | -164.1 | 9.4 | 111 | F97 F98 D100 | R89-F97 WeakPolarHBondContact O-CA 3.46Å; R89-F98 HydrophobicContact CB-CD1 4.31Å; R89-F98 HydrophobicContact CB-CE1 3.78Å; R89-F98 HydrophobicContact CB-CE2 4.41Å; R89-F98 HydrophobicContact CB-CZ 3.84Å; R89-F98 PolarHBondContact N-O 3.11Å; R89-F98 WeakPolarHBondContact O-CD1 3.36Å; R89-F98 PolarHBondContact O-N 2.7Å; R89-D100 HydrophobicContact CG-CB 4.2Å; R89-D100 IonicContact CZ-OD1 3.59Å; R89-D100 IonicContact CZ-OD2 3.62Å; R89-D100 IonicContact NE-OD1 2.7Å; R89-D100 IonicContact NE-OD2 3.63Å; R89-D100 PolarHBondContact NE-OD2 2.98Å; R89-D100 IonicContact NH2-OD1 2.68Å; R89-D100 IonicContact NH2-OD2 3.58Å; R89-D100 PolarHBondContact NH2-OD2 2.94Å |
| 90 | P | 86.4 | Confident | 78.7 | Confident | 87 Ų | 87 | 110.4 Ų | 110.4 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 145.6 | 173.7 | 31.3 | -33.2 | 0 | 0 | 0 | 111.2 | L96 F97 | P90-L96 WeakPolarHBondContact CA-O 3.27Å; P90-F97 HydrophobicContact CB-CD1 4.09Å; P90-F97 HydrophobicContact CB-CE1 3.85Å |
| 91 | I | 82.7 | Confident | 78.6 | Confident | 80 Ų | 80 | 111 Ų | 111 | 41% | 0.41 | 60% | 0.596 | S | S | . | * | trans | -83.8 | 138.4 | 169.1 | -62.1 | 175.1 | 0 | 0 | 0 | 108.5 | E93 L96 F98 | I91-E93 PolarHBondContact O-N 3.16Å; I91-E93 VanDerWaalsContact O-N 3.15Å; I91-L96 HydrophobicContact CB-CB 4.49Å; I91-L96 HydrophobicContact CD1-CB 4.04Å; I91-L96 PolarHBondContact N-O 3.34Å; I91-F98 HydrophobicContact CD1-CD1 4.18Å; I91-F98 HydrophobicContact CG1-CD1 3.73Å; I91-F98 HydrophobicContact CG1-CE1 3.99Å | ||
| 92 | K | 75.3 | Confident | 78.8 | Confident | 212 Ų | 212 | 116.3 Ų | 116.3 | 92% | 0.922 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -14.7 | -171.9 | -66.4 | -177.8 | -179.8 | 176.3 | 0 | 114.5 | ||
| 93 | E | 66.3 | Low | 79.1 | Confident | 190 Ų | 190 | 120.8 Ų | 120.8 | 89% | 0.888 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | 47.2 | -176 | -67.9 | -179.8 | 170.5 | 0 | 0 | 111.8 | I91 | I91-E93 PolarHBondContact O-N 3.16Å; I91-E93 VanDerWaalsContact O-N 3.15Å |
| 94 | G | 62.3 | Low | 79.7 | Confident | 43 Ų | 43 | 115.6 Ų | 115.6 | 44% | 0.443 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 165 | 168.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L96 | G94-L96 PolarHBondContact O-N 3.46Š|
| 95 | E | 73.3 | Confident | 80.2 | Confident | 193 Ų | 193 | 112.8 Ų | 112.8 | 90% | 0.902 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -78 | 35.6 | 172.2 | -61.9 | -171.3 | 162.7 | 0 | 0 | 112.4 | ||
| 96 | L | 79.4 | Confident | 80.7 | Confident | 95 Ų | 95 | 114.9 Ų | 114.9 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | trans | -102.4 | 136.8 | -176.8 | -68.2 | 169.5 | 0 | 0 | 0 | 110.6 | P90 I91 G94 | P90-L96 WeakPolarHBondContact CA-O 3.27Å; I91-L96 HydrophobicContact CB-CB 4.49Å; I91-L96 HydrophobicContact CD1-CB 4.04Å; I91-L96 PolarHBondContact N-O 3.34Å; G94-L96 PolarHBondContact O-N 3.46Å | ||
| 97 | F | 82.7 | Confident | 81.3 | Confident | 138 Ų | 138 | 115.3 Ų | 115.3 | 61% | 0.605 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.6 | 176.8 | -62.7 | -92.7 | 0 | 0 | 0 | 109.7 | R89 P90 | R89-F97 WeakPolarHBondContact O-CA 3.46Å; P90-F97 HydrophobicContact CB-CD1 4.09Å; P90-F97 HydrophobicContact CB-CE1 3.85Å |
| 98 | F | 85.1 | Confident | 81.7 | Confident | 88 Ų | 88 | 118.9 Ų | 118.9 | 39% | 0.386 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128 | 156 | 171.8 | 70.9 | -81.3 | 0 | 0 | 0 | 110.5 | F88 R89 I91 D100 | F88-F98 WeakPolarHBondContact CA-O 3.34Å; R89-F98 HydrophobicContact CB-CD1 4.31Å; R89-F98 HydrophobicContact CB-CE1 3.78Å; R89-F98 HydrophobicContact CB-CE2 4.41Å; R89-F98 HydrophobicContact CB-CZ 3.84Å; R89-F98 PolarHBondContact N-O 3.11Å; R89-F98 WeakPolarHBondContact O-CD1 3.36Å; R89-F98 PolarHBondContact O-N 2.7Å; I91-F98 HydrophobicContact CD1-CD1 4.18Å; I91-F98 HydrophobicContact CG1-CD1 3.73Å; I91-F98 HydrophobicContact CG1-CE1 3.99Å; F98-D100 HydrophobicContact CE2-CB 4.28Å |
| 99 | V | 85.3 | Confident | 81.8 | Confident | 59 Ų | 59 | 117.1 Ų | 117.1 | 36% | 0.358 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.3 | 170.4 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | L86 F88 D101 | L86-V99 HydrophobicContact CB-CG1 4.26Å; L86-V99 HydrophobicContact CD2-CG1 4.25Å; F88-V99 HydrophobicContact CD1-CG2 3.97Å; F88-V99 HydrophobicContact CE1-CG2 3.61Å; F88-V99 HydrophobicContact CZ-CG2 4.04Å; V99-D101 PolarHBondContact O-N 2.95Å; V99-D101 VanDerWaalsContact O-N 3.15Å |
| 100 | D | 82.5 | Confident | 81.7 | Confident | 37 Ų | 37 | 116.5 Ų | 116.5 | 20% | 0.198 | 61% | 0.606 | C | S | . | * | trans | -70 | 105.4 | 176.6 | -177.8 | 57.6 | 0 | 0 | 0 | 109.4 | P87 R89 F98 R102 | P87-D100 HydrophobicContact CG-CB 4.27Å; P87-D100 PolarHBondContact O-N 3.1Å; R89-D100 HydrophobicContact CG-CB 4.2Å; R89-D100 IonicContact CZ-OD1 3.59Å; R89-D100 IonicContact CZ-OD2 3.62Å; R89-D100 IonicContact NE-OD1 2.7Å; R89-D100 IonicContact NE-OD2 3.63Å; R89-D100 PolarHBondContact NE-OD2 2.98Å; R89-D100 IonicContact NH2-OD1 2.68Å; R89-D100 IonicContact NH2-OD2 3.58Å; R89-D100 PolarHBondContact NH2-OD2 2.94Å; F98-D100 HydrophobicContact CE2-CB 4.28Å; D100-R102 IonicContact OD2-NE 3.82Å; D100-R102 PolarHBondContact OD2-NE 3.33Å | ||
| 101 | D | 80.3 | Confident | 81.8 | Confident | 150 Ų | 150 | 118.7 Ų | 118.7 | 80% | 0.802 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 119.2 | 174.4 | -154.2 | -2.8 | 0 | 0 | 0 | 109 | V99 | V99-D101 PolarHBondContact O-N 2.95Å; V99-D101 VanDerWaalsContact O-N 3.15Å |
| 102 | R | 81.1 | Confident | 81.8 | Confident | 172 Ų | 172 | 117.2 Ų | 117.2 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 128.3 | -176.9 | -65.5 | -173.7 | -176.6 | -173.6 | 3.5 | 109.1 | D100 V104 | D100-R102 IonicContact OD2-NE 3.82Å; D100-R102 PolarHBondContact OD2-NE 3.33Å; R102-V104 PolarHBondContact O-N 2.97Å |
| 103 | D | 84.4 | Confident | 81.7 | Confident | 171 Ų | 171 | 113.1 Ų | 113.1 | 91% | 0.914 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.1 | 173.4 | -65.1 | -34.7 | 0 | 0 | 0 | 110.7 | ||
| 104 | V | 83.4 | Confident | 82.1 | Confident | 97 Ų | 97 | 111 Ų | 111 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -102 | 121.8 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 109 | R102 L106 L109 | R102-V104 PolarHBondContact O-N 2.97Å; V104-L106 PolarHBondContact O-N 2.94Å; V104-L106 VanDerWaalsContact O-N 3.11Å; V104-L109 HydrophobicContact CG1-CB 4.4Å; V104-L109 HydrophobicContact CG1-CD2 4.07Å |
| 105 | N | 89.1 | Confident | 82.8 | Confident | 75 Ų | 75 | 115.9 Ų | 115.9 | 40% | 0.401 | 61% | 0.614 | S | S | . | * | trans | -72.9 | 104.2 | 171.9 | -173.9 | -15.6 | 0 | 0 | 0 | 109.9 | V107 E108 L109 | N105-V107 PolarHBondContact O-N 3.22Å; N105-V107 WeakPolarHBondContact OD1-CB 3.47Å; N105-V107 PolarHBondContact OD1-N 3.48Å; N105-E108 HydrophobicContact CB-CB 4.15Å; N105-E108 HydrophobicContact CB-CG 4.24Å; N105-E108 VanDerWaalsContact ND2-CD 3.34Å; N105-E108 PolarHBondContact ND2-OE1 3.41Å; N105-E108 PolarHBondContact O-N 3.19Å; N105-L109 PolarHBondContact O-N 3.11Å | ||
| 106 | L | 88.8 | Confident | 82.8 | Confident | 133 Ų | 133 | 112.3 Ų | 112.3 | 70% | 0.696 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.6 | -31.2 | -178 | -64.9 | 176.3 | 0 | 0 | 0 | 113.1 | V104 A110 | V104-L106 PolarHBondContact O-N 2.94Å; V104-L106 VanDerWaalsContact O-N 3.11Å; L106-A110 VanDerWaalsContact O-CB 3.24Å; L106-A110 WeakPolarHBondContact O-CB 3.42Å; L106-A110 PolarHBondContact O-N 3.21Å |
| 107 | V | 91.6 | Very high | 82.7 | Confident | 97 Ų | 97 | 117.4 Ų | 117.4 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.2 | -46.7 | 179.7 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | N105 A110 L111 | N105-V107 PolarHBondContact O-N 3.22Å; N105-V107 WeakPolarHBondContact OD1-CB 3.47Å; N105-V107 PolarHBondContact OD1-N 3.48Å; V107-A110 PolarHBondContact O-N 3.44Å; V107-L111 HydrophobicContact CG1-CD1 3.97Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 VanDerWaalsContact O-CG 3.24Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 3.31Å |
| 108 | E | 87.6 | Confident | 82 | Confident | 133 Ų | 133 | 114.4 Ų | 114.4 | 62% | 0.621 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.3 | -41.3 | 176.5 | -72.8 | 173.3 | -154.7 | 0 | 0 | 111.8 | N105 A110 L111 A112 | N105-E108 HydrophobicContact CB-CB 4.15Å; N105-E108 HydrophobicContact CB-CG 4.24Å; N105-E108 VanDerWaalsContact ND2-CD 3.34Å; N105-E108 PolarHBondContact ND2-OE1 3.41Å; N105-E108 PolarHBondContact O-N 3.19Å; E108-A110 PolarHBondContact O-N 3.07Å; E108-L111 PolarHBondContact O-N 3.02Å; E108-A112 PolarHBondContact O-N 3.36Å |
| 109 | L | 84.7 | Confident | 81.6 | Confident | 110 Ų | 110 | 116.5 Ų | 116.5 | 58% | 0.576 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.6 | -41.3 | 177.1 | -175.3 | 66.7 | 0 | 0 | 0 | 112 | V104 N105 L111 A112 | V104-L109 HydrophobicContact CG1-CB 4.4Å; V104-L109 HydrophobicContact CG1-CD2 4.07Å; N105-L109 PolarHBondContact O-N 3.11Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-A112 WeakPolarHBondContact O-CB 3.4Å; L109-A112 PolarHBondContact O-N 3.4Å |
| 110 | A | 84.3 | Confident | 81 | Confident | 86 Ų | 86 | 117.8 Ų | 117.8 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69 | -30.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L106 V107 E108 | L106-A110 VanDerWaalsContact O-CB 3.24Å; L106-A110 WeakPolarHBondContact O-CB 3.42Å; L106-A110 PolarHBondContact O-N 3.21Å; V107-A110 PolarHBondContact O-N 3.44Å; E108-A110 PolarHBondContact O-N 3.07Å |
| 111 | L | 88.2 | Confident | 81 | Confident | 133 Ų | 133 | 125 Ų | 125 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -84.4 | -13.1 | 176.4 | -65.6 | 174.3 | 0 | 0 | 0 | 113 | V107 E108 L109 T113 | V107-L111 HydrophobicContact CG1-CD1 3.97Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 VanDerWaalsContact O-CG 3.24Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 3.31Å; E108-L111 PolarHBondContact O-N 3.02Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L111-T113 PolarHBondContact O-N 3.36Å |
| 112 | A | 83.2 | Confident | 81.1 | Confident | 49 Ų | 49 | 125 Ų | 125 | 41% | 0.405 | 71% | 0.712 | S | S | . | * | trans | -64 | 122.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E108 L109 N114 | E108-A112 PolarHBondContact O-N 3.36Å; L109-A112 WeakPolarHBondContact O-CB 3.4Å; L109-A112 PolarHBondContact O-N 3.4Å; A112-N114 PolarHBondContact O-N 2.87Å | ||
| 113 | T | 72.9 | Confident | 81 | Confident | 126 Ų | 126 | 122.5 Ų | 122.5 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | -79.2 | 15.5 | -177 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | L111 I115 | L111-T113 PolarHBondContact O-N 3.36Å; T113-I115 VanDerWaalsContact C-N 3.32Å; T113-I115 PolarHBondContact O-N 2.67Å | ||
| 114 | N | 73.8 | Confident | 81 | Confident | 145 Ų | 145 | 120.7 Ų | 120.7 | 78% | 0.775 | 70% | 0.704 | S | S | * | * | trans | -84.4 | 74.4 | -177.3 | -68.3 | -38.7 | 0 | 0 | 0 | 110.5 | A112 | A112-N114 PolarHBondContact O-N 2.87Š| ||
| 115 | I | 77.1 | Confident | 80.5 | Confident | 146 Ų | 146 | 125.3 Ų | 125.3 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 126.4 | 172.6 | -57.5 | 168.8 | 0 | 0 | 0 | 108 | T113 K117 | T113-I115 VanDerWaalsContact C-N 3.32Å; T113-I115 PolarHBondContact O-N 2.67Å; I115-K117 PolarHBondContact O-N 2.7Å; I115-K117 VanDerWaalsContact O-N 3.13Å |
| 116 | P | 72.9 | Confident | 79.9 | Confident | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 122.2 | 175.1 | -23.3 | 32.4 | 0 | 0 | 0 | 110 | G118 | P116-G118 PolarHBondContact O-N 3.01Š|
| 117 | K | 77.9 | Confident | 79.1 | Confident | 202 Ų | 202 | 128.3 Ų | 128.3 | 88% | 0.878 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.2 | 173.6 | -65.1 | -179.9 | -178.5 | 178.2 | 0 | 107.7 | I115 | I115-K117 PolarHBondContact O-N 2.7Å; I115-K117 VanDerWaalsContact O-N 3.13Å |
| 118 | G | 68.7 | Low | 78 | Confident | 75 Ų | 75 | 129 Ų | 129 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 144.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | P116 | P116-G118 PolarHBondContact O-N 3.01Š|
| 119 | C | 76.5 | Confident | 76.7 | Confident | 133 Ų | 133 | 127.3 Ų | 127.3 | 90% | 0.899 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.8 | 172 | -158.4 | 0 | 0 | 0 | 0 | 109 | ||
| 120 | A | 73 | Confident | 75.4 | Confident | 86 Ų | 86 | 130.7 Ų | 130.7 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 149.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 121 | E | 80.9 | Confident | 74.2 | Confident | 189 Ų | 189 | 131.6 Ų | 131.6 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143.7 | 174.6 | -68.2 | -172.4 | 165.6 | 0 | 0 | 110.7 | M123 | E121-M123 PolarHBondContact O-N 3.17Š|
| 122 | T | 82.3 | Confident | 72.6 | Confident | 148 Ų | 148 | 129.7 Ų | 129.7 | 91% | 0.908 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 116.6 | -179 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 123 | M | 80.5 | Confident | 71 | Confident | 121 Ų | 121 | 131.3 Ų | 131.3 | 60% | 0.596 | 75% | 0.751 | S | S | * | * | trans | -110.7 | 145.1 | 175.5 | 69.2 | 171.5 | -58.1 | 0 | 0 | 111.7 | E121 R125 | E121-M123 PolarHBondContact O-N 3.17Å; M123-R125 HydrophobicContact CE-CG 3.57Å; M123-R125 HydrophobicContact CG-CG 4.44Å; M123-R125 HydrophobicContact SD-CG 4.21Å; M123-R125 PolarHBondContact SD-NE 2.97Å | ||
| 124 | V | 84.3 | Confident | 69.8 | Low | 132 Ų | 132 | 131.2 Ų | 131.2 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | -91.9 | 124.2 | 171.7 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | V126 | V124-V126 HydrophobicContact CG1-CG2 4.38Š| ||
| 125 | R | 72.1 | Confident | 68.3 | Low | 194 Ų | 194 | 127.1 Ų | 127.1 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | -109.5 | 130.1 | 170.8 | -67.9 | -176.2 | 179.9 | -176.4 | -2.7 | 109.1 | M123 | M123-R125 HydrophobicContact CE-CG 3.57Å; M123-R125 HydrophobicContact CG-CG 4.44Å; M123-R125 HydrophobicContact SD-CG 4.21Å; M123-R125 PolarHBondContact SD-NE 2.97Å | ||
| 126 | V | 76.3 | Confident | 66.5 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | -106.8 | 120.7 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | V124 | V124-V126 HydrophobicContact CG1-CG2 4.38Š| ||
| 127 | N | 71.7 | Confident | 65.1 | Low | 140 Ų | 140 | 127.3 Ų | 127.3 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | -124.1 | 145.2 | 174.4 | -65.5 | -1 | 0 | 0 | 0 | 108.8 | S129 | N127-S129 PolarHBondContact O-N 3.25Š| ||
| 128 | V | 69.5 | Low | 63.4 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | trans | -76.8 | 115.2 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 109 | L131 | V128-L131 HydrophobicContact CG1-CD1 4.38Å; V128-L131 HydrophobicContact CG1-CD2 4.23Å; V128-L131 HydrophobicContact CG1-CG 3.82Å | ||
| 129 | S | 59.2 | Low | 62.1 | Low | 97 Ų | 97 | 126.2 Ų | 126.2 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | -88.1 | -29 | -178.8 | 45.5 | 0 | 0 | 0 | 0 | 114 | N127 | N127-S129 PolarHBondContact O-N 3.25Š| ||
| 130 | Y | 58.2 | Low | 60.5 | Low | 180 Ų | 180 | 125 Ų | 125 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -149.6 | 129.9 | -179.3 | -57.7 | -79.7 | 0 | 0 | 0 | 110.3 | ||||
| 131 | L | 57.9 | Low | 59.2 | Low | 105 Ų | 105 | 123.9 Ų | 123.9 | 55% | 0.55 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -105.5 | -27.1 | 177.3 | -84.3 | 153.7 | 0 | 0 | 0 | 112.9 | V128 L137 Y227 | V128-L131 HydrophobicContact CG1-CD1 4.38Å; V128-L131 HydrophobicContact CG1-CD2 4.23Å; V128-L131 HydrophobicContact CG1-CG 3.82Å; L131-L137 HydrophobicContact CD1-CD2 4.27Å; L131-Y227 HydrophobicContact CD2-CE1 4.04Å |
| 132 | D | 56.1 | Low | 57.5 | Low | 93 Ų | 93 | 120.7 Ų | 120.7 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -143.4 | 153.9 | 172.5 | -175 | 8.7 | 0 | 0 | 0 | 107.3 | K134 | D132-K134 CarbonylContact O-C 3.18Å; D132-K134 PolarHBondContact O-N 3.18Å |
| 133 | G | 48.3 | Very low | 56.1 | Low | 84 Ų | 84 | 115.3 Ų | 115.3 | 87% | 0.866 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -58.7 | -9.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 134 | K | 48.7 | Very low | 54.7 | Low | 124 Ų | 124 | 113.8 Ų | 113.8 | 54% | 0.539 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -107 | 106.5 | 160.5 | -60.4 | 177.2 | -176.1 | 174 | 0 | 106.2 | D132 N136 | D132-K134 CarbonylContact O-C 3.18Å; D132-K134 PolarHBondContact O-N 3.18Å; K134-N136 PolarHBondContact O-N 2.97Å |
| 135 | G | 41.1 | Very low | 52.8 | Low | 58 Ų | 58 | 111.8 Ų | 111.8 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | trans | -64.3 | 55.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 136 | N | 40.4 | Very low | 51.8 | Low | 111 Ų | 111 | 103.6 Ų | 103.6 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | trans | -101.8 | 117.7 | 176.4 | -89.6 | -9.9 | 0 | 0 | 0 | 109.4 | K134 | K134-N136 PolarHBondContact O-N 2.97Š| ||
| 137 | L | 44.5 | Very low | 50.7 | Low | 157 Ų | 157 | 99.7 Ų | 99.7 | 82% | 0.822 | 59% | 0.594 | S | S | * | * | trans | -76.6 | -2.4 | 162.3 | -70.8 | 161.7 | 0 | 0 | 0 | 111.8 | L131 | L131-L137 HydrophobicContact CD1-CD2 4.27Š| ||
| 138 | E | 41.1 | Very low | 49.9 | Very low | 142 Ų | 142 | 101.2 Ų | 101.2 | 66% | 0.664 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -81.9 | 135.6 | -178.4 | -69.7 | -64.6 | 115.6 | 0 | 0 | 111.3 | Q140 | E138-Q140 PolarHBondContact O-N 3.43Š|
| 139 | P | 41 | Very low | 49.7 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | trans | -60.2 | 112.1 | 172.4 | 24.4 | -30.2 | 0 | 0 | 0 | 108.4 | G141 | P139-G141 PolarHBondContact O-N 3.43Š| ||
| 140 | Q | 44.1 | Very low | 50.6 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | trans | -55.2 | 118.1 | 169.4 | -78.7 | -176.4 | 4.3 | 0 | 0 | 107.2 | E138 | E138-Q140 PolarHBondContact O-N 3.43Š| ||
| 141 | G | 44.4 | Very low | 51.8 | Low | 63 Ų | 63 | 91.7 Ų | 91.7 | 65% | 0.649 | 56% | 0.555 | S | S | * | * | trans | -56.1 | 177.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P139 V143 | P139-G141 PolarHBondContact O-N 3.43Å; G141-V143 PolarHBondContact O-N 2.91Å | ||
| 142 | T | 45.2 | Very low | 53.2 | Low | 121 Ų | 121 | 93 Ų | 93 | 74% | 0.742 | 56% | 0.558 | S | S | * | * | trans | -39.8 | 131 | -171.7 | 45.5 | 0 | 0 | 0 | 0 | 113.5 | P144 S145 | T142-P144 VanDerWaalsContact C-N 3.27Å; T142-P144 WeakPolarHBondContact O-CD 3.32Å; T142-S145 PolarHBondContact O-N 3.29Å | ||
| 143 | V | 53.5 | Low | 54.8 | Low | 35 Ų | 35 | 94.3 Ų | 94.3 | 21% | 0.212 | 57% | 0.565 | C | S | . | * | G | 310 helix | trans | -46.7 | -26.6 | -174 | -176.1 | 0 | 0 | 0 | 0 | 116.4 | G141 S145 A146 V147 Y192 Y195 | G141-V143 PolarHBondContact O-N 2.91Å; V143-S145 VanDerWaalsContact C-N 3.27Å; V143-S145 PolarHBondContact O-N 3.09Å; V143-S145 VanDerWaalsContact O-N 3.16Å; V143-A146 PolarHBondContact O-N 3.4Å; V143-V147 HydrophobicContact CG1-CG2 4.48Å; V143-V147 PolarHBondContact O-N 3.3Å; V143-Y192 HydrophobicContact CG1-CD1 3.71Å; V143-Y192 HydrophobicContact CG1-CE1 4.07Å; V143-Y195 HydrophobicContact CB-CD2 3.97Å; V143-Y195 HydrophobicContact CB-CE2 4.22Å; V143-Y195 HydrophobicContact CB-CG 4.11Å; V143-Y195 HydrophobicContact CG1-CD1 4.25Å; V143-Y195 HydrophobicContact CG1-CD2 4.44Å; V143-Y195 HydrophobicContact CG1-CG 4.07Å; V143-Y195 HydrophobicContact CG2-CD2 3.4Å; V143-Y195 VanDerWaalsContact CG2-CD2 3.4Å; V143-Y195 HydrophobicContact CG2-CE2 4Å; V143-Y195 HydrophobicContact CG2-CG 3.75Å |
| 144 | P | 50.3 | Low | 56.7 | Low | 89 Ų | 89 | 92.7 Ų | 92.7 | 58% | 0.578 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -58.3 | -32.1 | -178.3 | -26.9 | 35.8 | 0 | 0 | 0 | 115.1 | T142 | T142-P144 VanDerWaalsContact C-N 3.27Å; T142-P144 WeakPolarHBondContact O-CD 3.32Å |
| 145 | S | 45.9 | Very low | 58.7 | Low | 90 Ų | 90 | 89.1 Ų | 89.1 | 63% | 0.629 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -79.6 | -28 | -178.8 | -168.2 | 0 | 0 | 0 | 0 | 112.9 | T142 V143 | T142-S145 PolarHBondContact O-N 3.29Å; V143-S145 VanDerWaalsContact C-N 3.27Å; V143-S145 PolarHBondContact O-N 3.09Å; V143-S145 VanDerWaalsContact O-N 3.16Å |
| 146 | A | 50.5 | Low | 61.1 | Low | 22 Ų | 22 | 91 Ų | 91 | 18% | 0.182 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | -72 | -31.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V143 Q148 T149 Y192 | V143-A146 PolarHBondContact O-N 3.4Å; A146-Q148 PolarHBondContact O-N 2.95Å; A146-Q148 VanDerWaalsContact O-N 3.15Å; A146-T149 PolarHBondContact O-N 3.12Å; A146-T149 PolarHBondContact O-OG1 3.07Å; A146-Y192 HydrophobicContact CB-CE1 4.29Å; A146-Y192 PolarHBondContact O-OH 3.5Å |
| 147 | V | 53.2 | Low | 63.7 | Low | 50 Ų | 50 | 87.9 Ų | 87.9 | 30% | 0.303 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -57.6 | -30.5 | -179.7 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | V143 T149 L150 L155 Y192 | V143-V147 HydrophobicContact CG1-CG2 4.48Å; V143-V147 PolarHBondContact O-N 3.3Å; V147-T149 PolarHBondContact O-N 2.88Å; V147-L150 PolarHBondContact O-N 3.16Å; V147-L155 HydrophobicContact CG1-CD1 3.86Å; V147-Y192 HydrophobicContact CB-CE1 4.04Å; V147-Y192 HydrophobicContact CG2-CD1 3.76Å; V147-Y192 HydrophobicContact CG2-CE1 3.37Å; V147-Y192 PolarHBondContact N-OH 3.45Å |
| 148 | Q | 53.8 | Low | 66 | Low | 172 Ų | 172 | 82.2 Ų | 82.2 | 80% | 0.804 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -71.1 | -7.3 | 179.7 | -63.8 | -175.5 | 5.6 | 0 | 0 | 114.2 | A146 | A146-Q148 PolarHBondContact O-N 2.95Å; A146-Q148 VanDerWaalsContact O-N 3.15Å |
| 149 | T | 65.9 | Low | 68.4 | Low | 99 Ų | 99 | 78.8 Ų | 78.8 | 61% | 0.607 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -99.2 | -0.2 | 178.3 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | A146 V147 | A146-T149 PolarHBondContact O-N 3.12Å; A146-T149 PolarHBondContact O-OG1 3.07Å; V147-T149 PolarHBondContact O-N 2.88Å |
| 150 | L | 77.8 | Confident | 71 | Confident | 31 Ų | 31 | 79.5 Ų | 79.5 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -86.8 | 146.1 | -178.3 | -140.3 | 69.7 | 0 | 0 | 0 | 111.1 | V147 L154 L155 L189 Y192 | V147-L150 PolarHBondContact O-N 3.16Å; L150-L154 HydrophobicContact CD1-CD1 4.36Å; L150-L154 HydrophobicContact CD2-CB 3.9Å; L150-L154 HydrophobicContact CG-CB 3.77Å; L150-L154 HydrophobicContact CG-CD1 4.29Å; L150-L155 HydrophobicContact CD2-CB 4.34Å; L150-L189 HydrophobicContact CD1-CD2 4.08Å; L150-L189 HydrophobicContact CD2-CD2 3.25Å; L150-L189 HydrophobicContact CG-CD2 4.08Å; L150-Y192 HydrophobicContact CD1-CE2 3.8Å; L150-Y192 HydrophobicContact CD2-CE2 4.24Å |
| 151 | S | 84.8 | Confident | 73.5 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | trans | -66.4 | 152.8 | 171.7 | 67 | 0 | 0 | 0 | 0 | 110.8 | D153 L154 L155 | S151-D153 PolarHBondContact O-N 3.06Å; S151-L154 PolarHBondContact O-N 3.19Å; S151-L154 VanDerWaalsContact O-N 3.16Å; S151-L154 WeakPolarHBondContact OG-CB 3.46Å; S151-L154 WeakPolarHBondContact OG-CD1 3.19Å; S151-L154 VanDerWaalsContact OG-CG 3.27Å; S151-L154 WeakPolarHBondContact OG-CG 3.44Å; S151-L154 PolarHBondContact OG-N 2.76Å; S151-L155 PolarHBondContact O-N 3.39Å | ||
| 152 | E | 87 | Confident | 75.8 | Confident | 132 Ų | 132 | 73.1 Ų | 73.1 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57.3 | -38.8 | -179.8 | -164.4 | -173.3 | 153.1 | 0 | 0 | 111.9 | L155 K156 | E152-L155 PolarHBondContact O-N 3.41Å; E152-K156 HydrophobicContact CG-CD 4.5Å; E152-K156 WeakPolarHBondContact O-CB 3.47Å; E152-K156 WeakPolarHBondContact O-CG 3.39Å; E152-K156 PolarHBondContact O-N 3.15Å; E152-K156 WeakPolarHBondContact OE1-CE 3.31Å; E152-K156 IonicContact OE1-NZ 2.67Å; E152-K156 PolarHBondContact OE1-NZ 3.16Å |
| 153 | D | 89.5 | Confident | 78.2 | Confident | 121 Ų | 121 | 75.1 Ų | 75.1 | 65% | 0.647 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 178.1 | -61.1 | -32.5 | 0 | 0 | 0 | 112.6 | S151 L155 K156 Y157 | S151-D153 PolarHBondContact O-N 3.06Å; D153-L155 VanDerWaalsContact C-N 3.33Å; D153-K156 PolarHBondContact O-N 3.3Å; D153-Y157 WeakPolarHBondContact O-CB 3.38Å; D153-Y157 PolarHBondContact O-N 3.46Å |
| 154 | L | 88.6 | Confident | 80.2 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 176.9 | -77.7 | 175.7 | 0 | 0 | 0 | 111.1 | L150 S151 Y157 Y158 A188 L189 | L150-L154 HydrophobicContact CD1-CD1 4.36Å; L150-L154 HydrophobicContact CD2-CB 3.9Å; L150-L154 HydrophobicContact CG-CB 3.77Å; L150-L154 HydrophobicContact CG-CD1 4.29Å; S151-L154 PolarHBondContact O-N 3.19Å; S151-L154 VanDerWaalsContact O-N 3.16Å; S151-L154 WeakPolarHBondContact OG-CB 3.46Å; S151-L154 WeakPolarHBondContact OG-CD1 3.19Å; S151-L154 VanDerWaalsContact OG-CG 3.27Å; S151-L154 WeakPolarHBondContact OG-CG 3.44Å; S151-L154 PolarHBondContact OG-N 2.76Å; L154-Y157 PolarHBondContact O-N 3.05Å; L154-Y158 WeakPolarHBondContact O-CB 3.24Å; L154-Y158 PolarHBondContact O-N 3.28Å; L154-A188 HydrophobicContact CD1-CB 4.47Å; L154-L189 HydrophobicContact CB-CD2 4.11Å; L154-L189 HydrophobicContact CD2-CD1 4.16Å; L154-L189 HydrophobicContact CD2-CG 4.29Å |
| 155 | L | 89 | Confident | 82.4 | Confident | 50 Ų | 50 | 69.6 Ų | 69.6 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 175.7 | -176.9 | 62.4 | 0 | 0 | 0 | 111.5 | V147 L150 S151 E152 D153 Y158 Q159 | V147-L155 HydrophobicContact CG1-CD1 3.86Å; L150-L155 HydrophobicContact CD2-CB 4.34Å; S151-L155 PolarHBondContact O-N 3.39Å; E152-L155 PolarHBondContact O-N 3.41Å; D153-L155 VanDerWaalsContact C-N 3.33Å; L155-Y158 HydrophobicContact CD1-CD1 4.36Å; L155-Y158 PolarHBondContact O-N 2.92Å; L155-Q159 VanDerWaalsContact O-CG 3.3Å; L155-Q159 WeakPolarHBondContact O-CG 3.46Å; L155-Q159 PolarHBondContact O-N 3.15Å |
| 156 | K | 92 | Very high | 84.6 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 175 | -76.9 | 171.6 | -176 | 163.3 | 0 | 111.3 | E152 D153 Q159 Q160 | E152-K156 HydrophobicContact CG-CD 4.5Å; E152-K156 WeakPolarHBondContact O-CB 3.47Å; E152-K156 WeakPolarHBondContact O-CG 3.39Å; E152-K156 PolarHBondContact O-N 3.15Å; E152-K156 WeakPolarHBondContact OE1-CE 3.31Å; E152-K156 IonicContact OE1-NZ 2.67Å; E152-K156 PolarHBondContact OE1-NZ 3.16Å; D153-K156 PolarHBondContact O-N 3.3Å; K156-Q159 PolarHBondContact O-N 3.2Å; K156-Q160 WeakPolarHBondContact O-CB 3.22Å; K156-Q160 WeakPolarHBondContact O-CG 3.33Å; K156-Q160 PolarHBondContact O-N 2.96Å |
| 157 | Y | 94.4 | Very high | 86.6 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 18% | 0.18 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59 | -49.8 | 176 | 171.6 | -88.1 | 0 | 0 | 0 | 111.4 | D153 L154 Q159 Q160 I161 D179 N183 I186 L189 F193 | D153-Y157 WeakPolarHBondContact O-CB 3.38Å; D153-Y157 PolarHBondContact O-N 3.46Å; L154-Y157 PolarHBondContact O-N 3.05Å; Y157-Q159 VanDerWaalsContact C-N 3.31Å; Y157-Q159 PolarHBondContact O-N 3.21Å; Y157-Q160 PolarHBondContact O-N 2.83Å; Y157-Q160 VanDerWaalsContact O-N 3.17Å; Y157-I161 HydrophobicContact CD1-CG1 4.17Å; Y157-I161 HydrophobicContact CD2-CG1 4.09Å; Y157-I161 HydrophobicContact CE1-CG1 3.76Å; Y157-I161 HydrophobicContact CE2-CD1 3.93Å; Y157-I161 HydrophobicContact CE2-CG1 3.67Å; Y157-I161 HydrophobicContact CG-CG1 4.33Å; Y157-I161 VanDerWaalsContact CZ-CG1 3.49Å; Y157-I161 WeakPolarHBondContact O-CG1 3.04Å; Y157-I161 PolarHBondContact O-N 2.78Å; Y157-D179 VanDerWaalsContact CE2-OD2 3.26Å; Y157-D179 WeakPolarHBondContact CE2-OD2 3.39Å; Y157-D179 VanDerWaalsContact CZ-OD2 3.26Å; Y157-D179 PolarHBondContact OH-OD2 3.26Å; Y157-N183 PolarHBondContact OH-ND2 3.14Å; Y157-I186 HydrophobicContact CE1-CG2 3.66Å; Y157-I186 WeakPolarHBondContact OH-CG2 3.29Å; Y157-L189 HydrophobicContact CD1-CD1 3.32Å; Y157-L189 HydrophobicContact CE1-CD1 3.61Å; Y157-F193 HydrophobicContact CE1-CZ 4.42Å |
| 158 | Y | 93.3 | Very high | 88.4 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 177.6 | 165.9 | -101.9 | 0 | 0 | 0 | 112.2 | L154 L155 T162 F193 V196 | L154-Y158 WeakPolarHBondContact O-CB 3.24Å; L154-Y158 PolarHBondContact O-N 3.28Å; L155-Y158 HydrophobicContact CD1-CD1 4.36Å; L155-Y158 PolarHBondContact O-N 2.92Å; Y158-T162 VanDerWaalsContact O-CB 3.31Å; Y158-T162 WeakPolarHBondContact O-CB 3.35Å; Y158-T162 PolarHBondContact O-N 3.26Å; Y158-T162 PolarHBondContact O-OG1 3.33Å; Y158-F193 AromaticContact CD2-CD1 3.99Å; Y158-F193 HydrophobicContact CD2-CD1 3.99Å; Y158-F193 AromaticContact CD2-CE1 3.58Å; Y158-F193 HydrophobicContact CD2-CE1 3.58Å; Y158-F193 HydrophobicContact CD2-CE2 4.46Å; Y158-F193 AromaticContact CD2-CZ 3.85Å; Y158-F193 HydrophobicContact CD2-CZ 3.85Å; Y158-F193 AromaticContact CE2-CD1 3.91Å; Y158-F193 HydrophobicContact CE2-CD1 3.91Å; Y158-F193 AromaticContact CE2-CE1 3.94Å; Y158-F193 HydrophobicContact CE2-CE1 3.94Å; Y158-V196 HydrophobicContact CE2-CG2 4.39Å; Y158-V196 WeakPolarHBondContact OH-CG2 3.32Å |
| 159 | Q | 92.9 | Very high | 90.4 | Very high | 71 Ų | 71 | 70 Ų | 70 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 177.8 | -71.6 | 177 | 7.3 | 0 | 0 | 112.3 | L155 K156 Y157 R163 | L155-Q159 VanDerWaalsContact O-CG 3.3Å; L155-Q159 WeakPolarHBondContact O-CG 3.46Å; L155-Q159 PolarHBondContact O-N 3.15Å; K156-Q159 PolarHBondContact O-N 3.2Å; Y157-Q159 VanDerWaalsContact C-N 3.31Å; Y157-Q159 PolarHBondContact O-N 3.21Å; Q159-R163 WeakPolarHBondContact O-CB 2.9Å; Q159-R163 VanDerWaalsContact O-CG 3.23Å; Q159-R163 WeakPolarHBondContact O-CG 3.31Å; Q159-R163 PolarHBondContact O-N 3.23Å |
| 160 | Q | 94.7 | Very high | 91.7 | Very high | 128 Ų | 128 | 69.4 Ų | 69.4 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.3 | -46.6 | 179.5 | -74.8 | 176.2 | -9.8 | 0 | 0 | 111.8 | K156 Y157 R163 A164 | K156-Q160 WeakPolarHBondContact O-CB 3.22Å; K156-Q160 WeakPolarHBondContact O-CG 3.33Å; K156-Q160 PolarHBondContact O-N 2.96Å; Y157-Q160 PolarHBondContact O-N 2.83Å; Y157-Q160 VanDerWaalsContact O-N 3.17Å; Q160-R163 PolarHBondContact O-N 2.87Å; Q160-A164 VanDerWaalsContact O-CB 3.27Å; Q160-A164 WeakPolarHBondContact O-CB 3.34Å; Q160-A164 PolarHBondContact O-N 3.47Å |
| 161 | I | 95.9 | Very high | 92.5 | Very high | 15 Ų | 15 | 74.4 Ų | 74.4 | 8% | 0.077 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 178 | -67.3 | -65.3 | 0 | 0 | 0 | 111.2 | Y157 R163 A164 I165 A176 L180 F193 | Y157-I161 HydrophobicContact CD1-CG1 4.17Å; Y157-I161 HydrophobicContact CD2-CG1 4.09Å; Y157-I161 HydrophobicContact CE1-CG1 3.76Å; Y157-I161 HydrophobicContact CE2-CD1 3.93Å; Y157-I161 HydrophobicContact CE2-CG1 3.67Å; Y157-I161 HydrophobicContact CG-CG1 4.33Å; Y157-I161 VanDerWaalsContact CZ-CG1 3.49Å; Y157-I161 WeakPolarHBondContact O-CG1 3.04Å; Y157-I161 PolarHBondContact O-N 2.78Å; I161-R163 PolarHBondContact O-N 3.18Å; I161-A164 PolarHBondContact O-N 3.28Å; I161-I165 HydrophobicContact CG2-CD1 3.63Å; I161-I165 HydrophobicContact CG2-CG1 4.46Å; I161-I165 WeakPolarHBondContact O-CG1 3.39Å; I161-I165 PolarHBondContact O-N 3.08Å; I161-A176 HydrophobicContact CD1-CB 3.94Å; I161-A176 HydrophobicContact CG2-CB 4.48Å; I161-L180 HydrophobicContact CG2-CD1 3.85Å; I161-L180 HydrophobicContact CG2-CD2 3.92Å; I161-L180 HydrophobicContact CG2-CG 3.81Å; I161-F193 HydrophobicContact CB-CE1 4.47Å; I161-F193 HydrophobicContact CB-CZ 4.44Å; I161-F193 HydrophobicContact CG2-CE1 3.92Å; I161-F193 HydrophobicContact CG2-CZ 4.05Å |
| 162 | T | 93.9 | Very high | 93 | Very high | 21 Ų | 21 | 75.9 Ų | 75.9 | 13% | 0.129 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 179.3 | -54 | 0 | 0 | 0 | 0 | 111.3 | Y158 I165 L166 V196 | Y158-T162 VanDerWaalsContact O-CB 3.31Å; Y158-T162 WeakPolarHBondContact O-CB 3.35Å; Y158-T162 PolarHBondContact O-N 3.26Å; Y158-T162 PolarHBondContact O-OG1 3.33Å; T162-I165 PolarHBondContact O-N 3.03Å; T162-L166 HydrophobicContact CG2-CD1 3.92Å; T162-L166 WeakPolarHBondContact O-CB 3.25Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 3.15Å; T162-V196 HydrophobicContact CG2-CG1 4.42Å; T162-V196 HydrophobicContact CG2-CG2 4.42Å |
| 163 | R | 94.7 | Very high | 93.4 | Very high | 163 Ų | 163 | 71 Ų | 71 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 174.9 | -73.8 | 175.6 | -171.3 | 139.4 | 5 | 112.6 | Q159 Q160 I161 G167 | Q159-R163 WeakPolarHBondContact O-CB 2.9Å; Q159-R163 VanDerWaalsContact O-CG 3.23Å; Q159-R163 WeakPolarHBondContact O-CG 3.31Å; Q159-R163 PolarHBondContact O-N 3.23Å; Q160-R163 PolarHBondContact O-N 2.87Å; I161-R163 PolarHBondContact O-N 3.18Å; R163-G167 VanDerWaalsContact O-CA 3.26Å; R163-G167 WeakPolarHBondContact O-CA 3.2Å; R163-G167 PolarHBondContact O-N 2.7Å |
| 164 | A | 96 | Very high | 93.7 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q160 I161 L172 M173 A176 | Q160-A164 VanDerWaalsContact O-CB 3.27Å; Q160-A164 WeakPolarHBondContact O-CB 3.34Å; Q160-A164 PolarHBondContact O-N 3.47Å; I161-A164 PolarHBondContact O-N 3.28Å; A164-L172 HydrophobicContact CB-CD2 3.88Å; A164-L172 HydrophobicContact CB-CG 3.71Å; A164-M173 WeakPolarHBondContact O-CA 3.38Å; A164-A176 HydrophobicContact CB-CB 3.66Å |
| 165 | I | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.7 | -43.5 | -177.8 | -66.2 | 167 | 0 | 0 | 0 | 111.6 | I161 T162 G167 A176 L177 L180 R212 M216 | I161-I165 HydrophobicContact CG2-CD1 3.63Å; I161-I165 HydrophobicContact CG2-CG1 4.46Å; I161-I165 WeakPolarHBondContact O-CG1 3.39Å; I161-I165 PolarHBondContact O-N 3.08Å; T162-I165 PolarHBondContact O-N 3.03Å; I165-G167 VanDerWaalsContact C-N 3.35Å; I165-A176 HydrophobicContact CD1-CB 4.29Å; I165-A176 HydrophobicContact CG1-CB 3.77Å; I165-L177 HydrophobicContact CD1-CD2 3.93Å; I165-L177 HydrophobicContact CG1-CD2 4.09Å; I165-L177 HydrophobicContact CG1-CG 4.3Å; I165-L177 HydrophobicContact CG2-CD2 4.27Å; I165-L180 HydrophobicContact CD1-CD1 3.4Å; I165-L180 VanDerWaalsContact CD1-CD1 3.4Å; I165-L180 HydrophobicContact CD1-CG 4.4Å; I165-R212 HydrophobicContact CG2-CB 4.35Å; I165-R212 WeakPolarHBondContact O-CD 3.19Å; I165-R212 PolarHBondContact O-NH1 3.45Å; I165-M216 HydrophobicContact CB-CE 3.93Å; I165-M216 HydrophobicContact CD1-CE 3.74Å; I165-M216 HydrophobicContact CD1-CG 4.22Å; I165-M216 HydrophobicContact CG1-CE 4.44Å; I165-M216 HydrophobicContact CG2-CB 4.48Å; I165-M216 HydrophobicContact CG2-CE 3.56Å |
| 166 | L | 93.4 | Very high | 94.5 | Very high | 53 Ų | 53 | 70.8 Ų | 70.8 | 28% | 0.277 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -88.4 | -0.2 | -179 | -55.9 | 179.4 | 0 | 0 | 0 | 113.4 | T162 V196 Q209 R212 L213 | T162-L166 HydrophobicContact CG2-CD1 3.92Å; T162-L166 WeakPolarHBondContact O-CB 3.25Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 3.15Å; L166-V196 HydrophobicContact CD1-CG1 4.35Å; L166-Q209 VanDerWaalsContact CD2-OE1 3.25Å; L166-Q209 PolarHBondContact O-NE2 2.79Å; L166-Q209 PolarHBondContact O-OE1 3.42Å; L166-R212 HydrophobicContact CD2-CB 4.45Å; L166-L213 HydrophobicContact CD2-CD2 3.9Å; L166-L213 HydrophobicContact CD2-CG 4.24Å |
| 167 | G | 92.6 | Very high | 94.8 | Very high | 23 Ų | 23 | 67.1 Ų | 67.1 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -85.7 | 174.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R163 I165 R212 | R163-G167 VanDerWaalsContact O-CA 3.26Å; R163-G167 WeakPolarHBondContact O-CA 3.2Å; R163-G167 PolarHBondContact O-N 2.7Å; I165-G167 VanDerWaalsContact C-N 3.35Å; G167-R212 PolarHBondContact O-NH1 2.97Å; G167-R212 PolarHBondContact O-NH2 3.22Å |
| 168 | E | 91.7 | Very high | 94.9 | Very high | 187 Ų | 187 | 69.2 Ų | 69.2 | 87% | 0.874 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -75.9 | -27.5 | -174 | -62.6 | -179.6 | 174.5 | 0 | 0 | 113.5 | P170 | E168-P170 VanDerWaalsContact O-CD 3.24Å; E168-P170 WeakPolarHBondContact O-CD 3.5Å |
| 169 | D | 94.5 | Very high | 95 | Very high | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 35% | 0.352 | S | S | . | . | trans | -74.7 | 112.5 | -175 | -177.8 | -0.8 | 0 | 0 | 0 | 112.7 | H171 L172 M173 | D169-H171 VanDerWaalsContact C-N 3.32Å; D169-H171 PolarHBondContact O-N 3.03Å; D169-H171 WeakPolarHBondContact OD1-CB 3.23Å; D169-H171 PolarHBondContact OD1-N 3.41Å; D169-L172 HydrophobicContact CB-CB 3.97Å; D169-L172 PolarHBondContact OD1-N 3.33Å; D169-L172 WeakPolarHBondContact OD2-CB 3.35Å; D169-M173 PolarHBondContact O-N 3.46Å; D169-M173 VanDerWaalsContact O-N 3.08Å | ||
| 170 | P | 93.1 | Very high | 95.2 | Very high | 86 Ų | 86 | 66.6 Ų | 66.6 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70.4 | -26.7 | -179.4 | 30.2 | -35.7 | 0 | 0 | 0 | 113.1 | E168 K174 | E168-P170 VanDerWaalsContact O-CD 3.24Å; E168-P170 WeakPolarHBondContact O-CD 3.5Å; P170-K174 PolarHBondContact O-N 2.96Å; P170-K174 VanDerWaalsContact O-N 3.1Å |
| 171 | H | 94.9 | Very high | 95.3 | Very high | 136 Ų | 136 | 63.5 Ų | 63.5 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -71.3 | -47.8 | 178.5 | -174 | 68.3 | 0 | 0 | 0 | 110.3 | D169 M173 K174 V175 | D169-H171 VanDerWaalsContact C-N 3.32Å; D169-H171 PolarHBondContact O-N 3.03Å; D169-H171 WeakPolarHBondContact OD1-CB 3.23Å; D169-H171 PolarHBondContact OD1-N 3.41Å; H171-M173 VanDerWaalsContact C-N 3.32Å; H171-M173 PolarHBondContact O-N 3.44Å; H171-K174 PolarHBondContact O-N 3.45Å; H171-K174 VanDerWaalsContact O-N 3.14Å; H171-V175 WeakPolarHBondContact O-CG2 3.47Å; H171-V175 PolarHBondContact O-N 3Å |
| 172 | L | 95.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 47% | 0.466 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 176.9 | -167.9 | 67.4 | 0 | 0 | 0 | 111.7 | A164 D169 K174 V175 A176 | A164-L172 HydrophobicContact CB-CD2 3.88Å; A164-L172 HydrophobicContact CB-CG 3.71Å; D169-L172 HydrophobicContact CB-CB 3.97Å; D169-L172 PolarHBondContact OD1-N 3.33Å; D169-L172 WeakPolarHBondContact OD2-CB 3.35Å; L172-K174 PolarHBondContact O-N 2.95Å; L172-V175 PolarHBondContact O-N 2.68Å; L172-A176 WeakPolarHBondContact O-CB 3.43Å; L172-A176 PolarHBondContact O-N 3.36Å |
| 173 | M | 96 | Very high | 95.3 | Very high | 31 Ų | 31 | 67 Ų | 67 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.5 | -50 | 171.8 | 176 | -171.8 | 67.8 | 0 | 0 | 111.3 | A164 D169 H171 V175 A176 L177 R212 | A164-M173 WeakPolarHBondContact O-CA 3.38Å; D169-M173 PolarHBondContact O-N 3.46Å; D169-M173 VanDerWaalsContact O-N 3.08Å; H171-M173 VanDerWaalsContact C-N 3.32Å; H171-M173 PolarHBondContact O-N 3.44Å; M173-V175 VanDerWaalsContact C-N 3.33Å; M173-V175 PolarHBondContact O-N 2.75Å; M173-A176 PolarHBondContact O-N 3.42Å; M173-L177 HydrophobicContact CG-CD1 3.79Å; M173-L177 HydrophobicContact CG-CG 4.28Å; M173-L177 VanDerWaalsContact O-CG 3.28Å; M173-L177 WeakPolarHBondContact O-CG 3.3Å; M173-L177 PolarHBondContact O-N 3Å; M173-L177 HydrophobicContact SD-CD1 4.34Å; M173-R212 HydrophobicContact SD-CG 3.69Å; M173-R212 PolarHBondContact SD-NH1 3.3Å |
| 174 | K | 96.3 | Very high | 95.1 | Very high | 134 Ų | 134 | 62.5 Ų | 62.5 | 58% | 0.583 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.3 | -42.1 | -178 | -172.5 | 177.6 | -178.9 | 179.5 | 0 | 111.9 | P170 H171 L172 L177 L178 | P170-K174 PolarHBondContact O-N 2.96Å; P170-K174 VanDerWaalsContact O-N 3.1Å; H171-K174 PolarHBondContact O-N 3.45Å; H171-K174 VanDerWaalsContact O-N 3.14Å; L172-K174 PolarHBondContact O-N 2.95Å; K174-L177 PolarHBondContact O-N 3.02Å; K174-L178 HydrophobicContact CG-CD1 4.35Å; K174-L178 WeakPolarHBondContact O-CG 3.45Å; K174-L178 PolarHBondContact O-N 3.12Å; K174-L178 VanDerWaalsContact O-N 3.08Å |
| 175 | V | 97 | Very high | 94.8 | Very high | 77 Ų | 77 | 70.2 Ų | 70.2 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | H171 L172 M173 L177 L178 D179 | H171-V175 WeakPolarHBondContact O-CG2 3.47Å; H171-V175 PolarHBondContact O-N 3Å; L172-V175 PolarHBondContact O-N 2.68Å; M173-V175 VanDerWaalsContact C-N 3.33Å; M173-V175 PolarHBondContact O-N 2.75Å; V175-L177 PolarHBondContact O-N 3.14Å; V175-L178 PolarHBondContact O-N 3.17Å; V175-D179 PolarHBondContact O-N 3.24Å |
| 176 | A | 97.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I161 A164 I165 L172 M173 D179 L180 | I161-A176 HydrophobicContact CD1-CB 3.94Å; I161-A176 HydrophobicContact CG2-CB 4.48Å; A164-A176 HydrophobicContact CB-CB 3.66Å; I165-A176 HydrophobicContact CD1-CB 4.29Å; I165-A176 HydrophobicContact CG1-CB 3.77Å; L172-A176 WeakPolarHBondContact O-CB 3.43Å; L172-A176 PolarHBondContact O-N 3.36Å; M173-A176 PolarHBondContact O-N 3.42Å; A176-D179 PolarHBondContact O-N 2.97Å; A176-L180 WeakPolarHBondContact O-CG 3.47Å; A176-L180 PolarHBondContact O-N 3.5Å |
| 177 | L | 96.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 70.4 Ų | 70.4 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.1 | -69.1 | 171.3 | 0 | 0 | 0 | 112.3 | I165 M173 K174 V175 D179 L180 Q181 H215 M216 S219 | I165-L177 HydrophobicContact CD1-CD2 3.93Å; I165-L177 HydrophobicContact CG1-CD2 4.09Å; I165-L177 HydrophobicContact CG1-CG 4.3Å; I165-L177 HydrophobicContact CG2-CD2 4.27Å; M173-L177 HydrophobicContact CG-CD1 3.79Å; M173-L177 HydrophobicContact CG-CG 4.28Å; M173-L177 VanDerWaalsContact O-CG 3.28Å; M173-L177 WeakPolarHBondContact O-CG 3.3Å; M173-L177 PolarHBondContact O-N 3Å; M173-L177 HydrophobicContact SD-CD1 4.34Å; K174-L177 PolarHBondContact O-N 3.02Å; V175-L177 PolarHBondContact O-N 3.14Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-L180 PolarHBondContact O-N 3.08Å; L177-Q181 PolarHBondContact O-N 3.1Å; L177-H215 HydrophobicContact CD1-CB 3.76Å; L177-H215 HydrophobicContact CD2-CB 4.17Å; L177-M216 HydrophobicContact CD2-CB 4.37Å; L177-S219 WeakPolarHBondContact CD2-OG 3.46Å; L177-S219 WeakPolarHBondContact O-CB 3.19Å |
| 178 | L | 97 | Very high | 93.9 | Very high | 91 Ų | 91 | 72 Ų | 72 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 175.9 | -72.8 | 172.4 | 0 | 0 | 0 | 112.2 | K174 V175 Q181 S182 | K174-L178 HydrophobicContact CG-CD1 4.35Å; K174-L178 WeakPolarHBondContact O-CG 3.45Å; K174-L178 PolarHBondContact O-N 3.12Å; K174-L178 VanDerWaalsContact O-N 3.08Å; V175-L178 PolarHBondContact O-N 3.17Å; L178-Q181 PolarHBondContact O-N 3.39Å; L178-S182 PolarHBondContact O-N 3.41Å; L178-S182 PolarHBondContact O-OG 3.26Å |
| 179 | D | 96.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 63 Ų | 63 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 173.5 | -169.2 | 71.1 | 0 | 0 | 0 | 110.6 | Y157 V175 A176 L177 Q181 S182 N183 | Y157-D179 VanDerWaalsContact CE2-OD2 3.26Å; Y157-D179 WeakPolarHBondContact CE2-OD2 3.39Å; Y157-D179 VanDerWaalsContact CZ-OD2 3.26Å; Y157-D179 PolarHBondContact OH-OD2 3.26Å; V175-D179 PolarHBondContact O-N 3.24Å; A176-D179 PolarHBondContact O-N 2.97Å; L177-D179 VanDerWaalsContact C-N 3.33Å; D179-Q181 PolarHBondContact O-N 2.93Å; D179-Q181 VanDerWaalsContact O-N 3.15Å; D179-S182 PolarHBondContact O-N 2.96Å; D179-S182 VanDerWaalsContact O-N 3.08Å; D179-N183 WeakPolarHBondContact O-CB 3.13Å; D179-N183 PolarHBondContact O-N 3.31Å; D179-N183 PolarHBondContact OD2-ND2 2.93Å; D179-N183 VanDerWaalsContact OD2-ND2 3.12Å |
| 180 | L | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.7 | -32.7 | 175.2 | -77.6 | -176.2 | 0 | 0 | 0 | 113.5 | I161 I165 A176 L177 I186 F193 M216 L220 N223 | I161-L180 HydrophobicContact CG2-CD1 3.85Å; I161-L180 HydrophobicContact CG2-CD2 3.92Å; I161-L180 HydrophobicContact CG2-CG 3.81Å; I165-L180 HydrophobicContact CD1-CD1 3.4Å; I165-L180 VanDerWaalsContact CD1-CD1 3.4Å; I165-L180 HydrophobicContact CD1-CG 4.4Å; A176-L180 WeakPolarHBondContact O-CG 3.47Å; A176-L180 PolarHBondContact O-N 3.5Å; L177-L180 PolarHBondContact O-N 3.08Å; L180-I186 HydrophobicContact CD2-CD1 3.73Å; L180-I186 WeakPolarHBondContact O-CD1 3.28Å; L180-F193 HydrophobicContact CD2-CD2 4.31Å; L180-F193 HydrophobicContact CD2-CE1 4.23Å; L180-F193 HydrophobicContact CD2-CE2 3.69Å; L180-F193 HydrophobicContact CD2-CZ 3.65Å; L180-M216 HydrophobicContact CD1-CG 3.91Å; L180-L220 HydrophobicContact CD2-CD2 4.45Å; L180-N223 PolarHBondContact O-ND2 3.21Å |
| 181 | Q | 96.6 | Very high | 93.3 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 29% | 0.29 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74 | -30.1 | 179.2 | -175.4 | 174.7 | 13.3 | 0 | 0 | 113.4 | L177 L178 D179 S219 Q222 N223 | L177-Q181 PolarHBondContact O-N 3.1Å; L178-Q181 PolarHBondContact O-N 3.39Å; D179-Q181 PolarHBondContact O-N 2.93Å; D179-Q181 VanDerWaalsContact O-N 3.15Å; Q181-S219 WeakPolarHBondContact CA-O 3.39Å; Q181-Q222 HydrophobicContact CG-CB 4.04Å; Q181-N223 VanDerWaalsContact O-CA 3.31Å; Q181-N223 WeakPolarHBondContact O-CA 3.46Å; Q181-N223 WeakPolarHBondContact O-CB 3.34Å; Q181-N223 VanDerWaalsContact O-CG 3.32Å |
| 182 | S | 95.2 | Very high | 93 | Very high | 75 Ų | 75 | 51.3 Ų | 51.3 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -114 | -17 | -169.7 | 59 | 0 | 0 | 0 | 0 | 114.4 | L178 D179 S184 Y225 | L178-S182 PolarHBondContact O-N 3.41Å; L178-S182 PolarHBondContact O-OG 3.26Å; D179-S182 PolarHBondContact O-N 2.96Å; D179-S182 VanDerWaalsContact O-N 3.08Å; S182-S184 PolarHBondContact O-N 3.44Å; S182-Y225 WeakPolarHBondContact O-CE2 3.34Å |
| 183 | N | 94.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 19% | 0.193 | 27% | 0.265 | C | S | . | . | trans | -75.2 | 122.3 | -174.2 | -168.7 | -28.5 | 0 | 0 | 0 | 111.4 | Y157 D179 K185 I186 N223 | Y157-N183 PolarHBondContact OH-ND2 3.14Å; D179-N183 WeakPolarHBondContact O-CB 3.13Å; D179-N183 PolarHBondContact O-N 3.31Å; D179-N183 PolarHBondContact OD2-ND2 2.93Å; D179-N183 VanDerWaalsContact OD2-ND2 3.12Å; N183-K185 PolarHBondContact OD1-N 2.9Å; N183-I186 HydrophobicContact CB-CG2 3.91Å; N183-N223 PolarHBondContact O-ND2 3.38Å | ||
| 184 | S | 92 | Very high | 92.7 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 47% | 0.469 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.5 | -177.9 | 69.1 | 0 | 0 | 0 | 0 | 114.3 | S182 | S182-S184 PolarHBondContact O-N 3.44Š|
| 185 | K | 88.3 | Confident | 92.4 | Very high | 170 Ų | 170 | 45.7 Ų | 45.7 | 74% | 0.739 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 6.3 | -170.7 | -62 | -175.7 | -178.5 | 176.9 | 0 | 114.1 | N183 | N183-K185 PolarHBondContact OD1-N 2.9Š|
| 186 | I | 89.5 | Confident | 92.1 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -93.5 | 4.4 | -173.9 | 69.5 | 178.2 | 0 | 0 | 0 | 114.1 | Y157 L180 N183 A188 L189 L190 L220 L226 | Y157-I186 HydrophobicContact CE1-CG2 3.66Å; Y157-I186 WeakPolarHBondContact OH-CG2 3.29Å; L180-I186 HydrophobicContact CD2-CD1 3.73Å; L180-I186 WeakPolarHBondContact O-CD1 3.28Å; N183-I186 HydrophobicContact CB-CG2 3.91Å; I186-A188 VanDerWaalsContact C-N 3.28Å; I186-A188 PolarHBondContact O-N 3.41Å; I186-L189 HydrophobicContact CB-CD1 4.44Å; I186-L189 HydrophobicContact CG2-CD1 4.45Å; I186-L189 WeakPolarHBondContact O-CA 3.35Å; I186-L189 WeakPolarHBondContact O-CB 3.38Å; I186-L189 PolarHBondContact O-N 2.97Å; I186-L190 PolarHBondContact O-N 3.01Å; I186-L220 HydrophobicContact CD1-CD2 4.48Å; I186-L226 HydrophobicContact CD1-CD1 4.09Å; I186-L226 HydrophobicContact CG1-CD1 4.23Å; I186-L226 HydrophobicContact CG1-CD2 3.83Å; I186-L226 HydrophobicContact CG1-CG 4.45Å | ||
| 187 | A | 87.4 | Confident | 91.9 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -56.1 | -40.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L189 L190 L226 | A187-L189 PolarHBondContact O-N 3.3Å; A187-L190 WeakPolarHBondContact O-CB 3.22Å; A187-L190 PolarHBondContact O-N 2.87Å; A187-L226 HydrophobicContact CB-CD2 4.09Å |
| 188 | A | 85.8 | Confident | 91.6 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -65.7 | -20.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L154 I186 Y192 | L154-A188 HydrophobicContact CD1-CB 4.47Å; I186-A188 VanDerWaalsContact C-N 3.28Å; I186-A188 PolarHBondContact O-N 3.41Å; A188-Y192 WeakPolarHBondContact O-CE2 3.41Å |
| 189 | L | 88.7 | Confident | 91.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -91.5 | -15.4 | -179.5 | -60.9 | 178.8 | 0 | 0 | 0 | 113.3 | L150 L154 Y157 I186 A187 Y192 F193 | L150-L189 HydrophobicContact CD1-CD2 4.08Å; L150-L189 HydrophobicContact CD2-CD2 3.25Å; L150-L189 HydrophobicContact CG-CD2 4.08Å; L154-L189 HydrophobicContact CB-CD2 4.11Å; L154-L189 HydrophobicContact CD2-CD1 4.16Å; L154-L189 HydrophobicContact CD2-CG 4.29Å; Y157-L189 HydrophobicContact CD1-CD1 3.32Å; Y157-L189 HydrophobicContact CE1-CD1 3.61Å; I186-L189 HydrophobicContact CB-CD1 4.44Å; I186-L189 HydrophobicContact CG2-CD1 4.45Å; I186-L189 WeakPolarHBondContact O-CA 3.35Å; I186-L189 WeakPolarHBondContact O-CB 3.38Å; I186-L189 PolarHBondContact O-N 2.97Å; A187-L189 PolarHBondContact O-N 3.3Å; L189-Y192 HydrophobicContact CD2-CD2 4.47Å; L189-Y192 WeakPolarHBondContact O-CD2 3.34Å; L189-Y192 PolarHBondContact O-N 3.46Å; L189-F193 HydrophobicContact CB-CD2 3.94Å; L189-F193 HydrophobicContact CB-CE2 3.54Å; L189-F193 HydrophobicContact CB-CZ 4.42Å; L189-F193 HydrophobicContact CD1-CE2 4.17Å; L189-F193 HydrophobicContact CD1-CZ 4.47Å; L189-F193 WeakPolarHBondContact O-CD2 3.23Å; L189-F193 PolarHBondContact O-N 3.03Å; L189-F193 VanDerWaalsContact O-N 3.17Å |
| 190 | L | 89.9 | Confident | 90.8 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -50.5 | -45.7 | -176.8 | 177.5 | 62.1 | 0 | 0 | 0 | 113.4 | I186 A187 Y192 F193 V194 L220 L226 L228 Y231 | I186-L190 PolarHBondContact O-N 3.01Å; A187-L190 WeakPolarHBondContact O-CB 3.22Å; A187-L190 PolarHBondContact O-N 2.87Å; L190-Y192 PolarHBondContact O-N 2.94Å; L190-F193 PolarHBondContact O-N 3.3Å; L190-V194 HydrophobicContact CD1-CG2 3.84Å; L190-V194 HydrophobicContact CG-CG2 4.29Å; L190-V194 VanDerWaalsContact O-CG2 3.32Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 3.03Å; L190-L220 HydrophobicContact CD1-CD1 4.45Å; L190-L220 HydrophobicContact CD1-CD2 4.47Å; L190-L226 HydrophobicContact CD1-CD1 4.38Å; L190-L228 HydrophobicContact CD1-CD2 3.74Å; L190-L228 HydrophobicContact CD2-CD2 3.92Å; L190-L228 HydrophobicContact CG-CD2 4.44Å; L190-Y231 HydrophobicContact CD2-CD2 3.73Å; L190-Y231 HydrophobicContact CD2-CE2 3.91Å; L190-Y231 HydrophobicContact CG-CD2 4.13Å; L190-Y231 HydrophobicContact CG-CE2 4.26Å |
| 191 | P | 88.6 | Confident | 90.5 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -34.3 | -180 | -20 | 31 | 0 | 0 | 0 | 113.1 | Y195 Y231 | P191-Y195 WeakPolarHBondContact O-CB 3.43Å; P191-Y195 PolarHBondContact O-N 3.32Å; P191-Y231 HydrophobicContact CB-CE1 4.35Å; P191-Y231 WeakPolarHBondContact CG-OH 3.43Å |
| 192 | Y | 88.6 | Confident | 90.1 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.8 | -40.7 | -179.7 | -50.5 | -84.3 | 0 | 0 | 0 | 111.6 | V143 A146 V147 L150 A188 L189 L190 V194 Y195 V196 | V143-Y192 HydrophobicContact CG1-CD1 3.71Å; V143-Y192 HydrophobicContact CG1-CE1 4.07Å; A146-Y192 HydrophobicContact CB-CE1 4.29Å; A146-Y192 PolarHBondContact O-OH 3.5Å; V147-Y192 HydrophobicContact CB-CE1 4.04Å; V147-Y192 HydrophobicContact CG2-CD1 3.76Å; V147-Y192 HydrophobicContact CG2-CE1 3.37Å; V147-Y192 PolarHBondContact N-OH 3.45Å; L150-Y192 HydrophobicContact CD1-CE2 3.8Å; L150-Y192 HydrophobicContact CD2-CE2 4.24Å; A188-Y192 WeakPolarHBondContact O-CE2 3.41Å; L189-Y192 HydrophobicContact CD2-CD2 4.47Å; L189-Y192 WeakPolarHBondContact O-CD2 3.34Å; L189-Y192 PolarHBondContact O-N 3.46Å; L190-Y192 PolarHBondContact O-N 2.94Å; Y192-V194 VanDerWaalsContact C-N 3.34Å; Y192-V194 PolarHBondContact O-N 2.53Å; Y192-Y195 WeakPolarHBondContact O-CB 3.36Å; Y192-Y195 PolarHBondContact O-N 3.01Å; Y192-V196 WeakPolarHBondContact O-CG2 3.49Å; Y192-V196 PolarHBondContact O-N 3.36Å |
| 193 | F | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.2 | -68 | -57.8 | 0 | 0 | 0 | 111.5 | Y157 Y158 I161 L180 L189 L190 Y195 V196 I197 M216 L220 | Y157-F193 HydrophobicContact CE1-CZ 4.42Å; Y158-F193 AromaticContact CD2-CD1 3.99Å; Y158-F193 HydrophobicContact CD2-CD1 3.99Å; Y158-F193 AromaticContact CD2-CE1 3.58Å; Y158-F193 HydrophobicContact CD2-CE1 3.58Å; Y158-F193 HydrophobicContact CD2-CE2 4.46Å; Y158-F193 AromaticContact CD2-CZ 3.85Å; Y158-F193 HydrophobicContact CD2-CZ 3.85Å; Y158-F193 AromaticContact CE2-CD1 3.91Å; Y158-F193 HydrophobicContact CE2-CD1 3.91Å; Y158-F193 AromaticContact CE2-CE1 3.94Å; Y158-F193 HydrophobicContact CE2-CE1 3.94Å; I161-F193 HydrophobicContact CB-CE1 4.47Å; I161-F193 HydrophobicContact CB-CZ 4.44Å; I161-F193 HydrophobicContact CG2-CE1 3.92Å; I161-F193 HydrophobicContact CG2-CZ 4.05Å; L180-F193 HydrophobicContact CD2-CD2 4.31Å; L180-F193 HydrophobicContact CD2-CE1 4.23Å; L180-F193 HydrophobicContact CD2-CE2 3.69Å; L180-F193 HydrophobicContact CD2-CZ 3.65Å; L189-F193 HydrophobicContact CB-CD2 3.94Å; L189-F193 HydrophobicContact CB-CE2 3.54Å; L189-F193 HydrophobicContact CB-CZ 4.42Å; L189-F193 HydrophobicContact CD1-CE2 4.17Å; L189-F193 HydrophobicContact CD1-CZ 4.47Å; L189-F193 WeakPolarHBondContact O-CD2 3.23Å; L189-F193 PolarHBondContact O-N 3.03Å; L189-F193 VanDerWaalsContact O-N 3.17Å; L190-F193 PolarHBondContact O-N 3.3Å; F193-Y195 VanDerWaalsContact C-N 3.28Å; F193-Y195 PolarHBondContact O-N 3.47Å; F193-V196 PolarHBondContact O-N 2.81Å; F193-I197 WeakPolarHBondContact O-CD1 3.46Å; F193-I197 VanDerWaalsContact O-CG1 3.28Å; F193-I197 WeakPolarHBondContact O-CG1 3.32Å; F193-I197 PolarHBondContact O-N 3.07Å; F193-M216 HydrophobicContact CD1-SD 4.16Å; F193-L220 HydrophobicContact CB-CD1 3.9Å; F193-L220 HydrophobicContact CD2-CD2 4.42Å |
| 194 | V | 91.6 | Very high | 89.7 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | L190 Y192 I197 S198 Y231 L235 | L190-V194 HydrophobicContact CD1-CG2 3.84Å; L190-V194 HydrophobicContact CG-CG2 4.29Å; L190-V194 VanDerWaalsContact O-CG2 3.32Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 3.03Å; Y192-V194 VanDerWaalsContact C-N 3.34Å; Y192-V194 PolarHBondContact O-N 2.53Å; V194-I197 PolarHBondContact O-N 3.38Å; V194-S198 WeakPolarHBondContact O-CB 3.46Å; V194-S198 PolarHBondContact O-N 3.35Å; V194-S198 PolarHBondContact O-OG 3.24Å; V194-Y231 HydrophobicContact CB-CD1 4.27Å; V194-Y231 HydrophobicContact CG1-CD1 4.07Å; V194-Y231 HydrophobicContact CG2-CD1 4.17Å; V194-Y231 HydrophobicContact CG2-CG 4.13Å; V194-L235 HydrophobicContact CG1-CD2 4.33Å; V194-L235 HydrophobicContact CG2-CD2 4.15Å |
| 195 | Y | 89.8 | Confident | 89.6 | Confident | 131 Ų | 131 | 47.2 Ų | 47.2 | 51% | 0.514 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 173.4 | 177.9 | -101.6 | 0 | 0 | 0 | 112.5 | V143 P191 Y192 F193 I197 S198 G199 | V143-Y195 HydrophobicContact CB-CD2 3.97Å; V143-Y195 HydrophobicContact CB-CE2 4.22Å; V143-Y195 HydrophobicContact CB-CG 4.11Å; V143-Y195 HydrophobicContact CG1-CD1 4.25Å; V143-Y195 HydrophobicContact CG1-CD2 4.44Å; V143-Y195 HydrophobicContact CG1-CG 4.07Å; V143-Y195 HydrophobicContact CG2-CD2 3.4Å; V143-Y195 VanDerWaalsContact CG2-CD2 3.4Å; V143-Y195 HydrophobicContact CG2-CE2 4Å; V143-Y195 HydrophobicContact CG2-CG 3.75Å; P191-Y195 WeakPolarHBondContact O-CB 3.43Å; P191-Y195 PolarHBondContact O-N 3.32Å; Y192-Y195 WeakPolarHBondContact O-CB 3.36Å; Y192-Y195 PolarHBondContact O-N 3.01Å; F193-Y195 VanDerWaalsContact C-N 3.28Å; F193-Y195 PolarHBondContact O-N 3.47Å; Y195-I197 VanDerWaalsContact C-N 3.31Å; Y195-I197 PolarHBondContact O-N 3.11Å; Y195-S198 WeakPolarHBondContact O-CB 3.44Å; Y195-S198 PolarHBondContact O-N 3.39Å; Y195-G199 PolarHBondContact O-N 2.62Å; Y195-G199 VanDerWaalsContact O-N 3.17Å |
| 196 | V | 91.6 | Very high | 89.8 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 16% | 0.164 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | Y158 T162 L166 Y192 F193 S198 G199 L213 M216 | Y158-V196 HydrophobicContact CE2-CG2 4.39Å; Y158-V196 WeakPolarHBondContact OH-CG2 3.32Å; T162-V196 HydrophobicContact CG2-CG1 4.42Å; T162-V196 HydrophobicContact CG2-CG2 4.42Å; L166-V196 HydrophobicContact CD1-CG1 4.35Å; Y192-V196 WeakPolarHBondContact O-CG2 3.49Å; Y192-V196 PolarHBondContact O-N 3.36Å; F193-V196 PolarHBondContact O-N 2.81Å; V196-S198 VanDerWaalsContact C-N 3.29Å; V196-S198 PolarHBondContact O-N 3.44Å; V196-G199 WeakPolarHBondContact O-CA 3.3Å; V196-G199 PolarHBondContact O-N 2.82Å; V196-L213 HydrophobicContact CG1-CD2 3.9Å; V196-M216 HydrophobicContact CG1-CE 4.49Å |
| 197 | I | 93.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -32.1 | 175.9 | -68.2 | 161.2 | 0 | 0 | 0 | 112 | F193 V194 Y195 G199 V200 M216 V217 L220 L235 S238 | F193-I197 WeakPolarHBondContact O-CD1 3.46Å; F193-I197 VanDerWaalsContact O-CG1 3.28Å; F193-I197 WeakPolarHBondContact O-CG1 3.32Å; F193-I197 PolarHBondContact O-N 3.07Å; V194-I197 PolarHBondContact O-N 3.38Å; Y195-I197 VanDerWaalsContact C-N 3.31Å; Y195-I197 PolarHBondContact O-N 3.11Å; I197-G199 PolarHBondContact O-N 2.9Å; I197-V200 VanDerWaalsContact O-CG1 3.23Å; I197-V200 WeakPolarHBondContact O-CG1 3.35Å; I197-V200 PolarHBondContact O-N 2.93Å; I197-M216 HydrophobicContact CD1-CG 4.18Å; I197-M216 HydrophobicContact CD1-SD 4.07Å; I197-M216 HydrophobicContact CG1-SD 3.98Å; I197-V217 HydrophobicContact CB-CG2 4.39Å; I197-V217 HydrophobicContact CD1-CG2 3.78Å; I197-V217 HydrophobicContact CG1-CG2 4.02Å; I197-V217 HydrophobicContact CG2-CG2 3.46Å; I197-V217 VanDerWaalsContact CG2-CG2 3.46Å; I197-L220 HydrophobicContact CD1-CD1 3.53Å; I197-L235 HydrophobicContact CB-CD2 4.49Å; I197-L235 HydrophobicContact CD1-CD2 4.01Å; I197-L235 HydrophobicContact CG2-CD2 3.9Å; I197-S238 PolarHBondContact O-OG 3.49Å |
| 198 | S | 89.4 | Confident | 90.2 | Very high | 46 Ų | 46 | 46 Ų | 46 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.9 | -17.5 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 112 | V194 Y195 V196 V200 S234 S238 | V194-S198 WeakPolarHBondContact O-CB 3.46Å; V194-S198 PolarHBondContact O-N 3.35Å; V194-S198 PolarHBondContact O-OG 3.24Å; Y195-S198 WeakPolarHBondContact O-CB 3.44Å; Y195-S198 PolarHBondContact O-N 3.39Å; V196-S198 VanDerWaalsContact C-N 3.29Å; V196-S198 PolarHBondContact O-N 3.44Å; S198-V200 PolarHBondContact O-N 2.85Å; S198-S234 PolarHBondContact OG-OG 2.86Å; S198-S238 WeakPolarHBondContact CA-OG 3.5Å |
| 199 | G | 86.9 | Confident | 90.5 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -72.6 | 5.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y195 V196 I197 K201 S202 | Y195-G199 PolarHBondContact O-N 2.62Å; Y195-G199 VanDerWaalsContact O-N 3.17Å; V196-G199 WeakPolarHBondContact O-CA 3.3Å; V196-G199 PolarHBondContact O-N 2.82Å; I197-G199 PolarHBondContact O-N 2.9Å; G199-K201 PolarHBondContact O-N 3.39Å; G199-S202 PolarHBondContact O-N 2.98Å; G199-S202 PolarHBondContact O-OG 3.21Å |
| 200 | V | 90.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -50 | -30.4 | 179.3 | -78.2 | 0 | 0 | 0 | 0 | 114.3 | I197 S198 S202 V203 S204 L210 L213 Y241 | I197-V200 VanDerWaalsContact O-CG1 3.23Å; I197-V200 WeakPolarHBondContact O-CG1 3.35Å; I197-V200 PolarHBondContact O-N 2.93Å; S198-V200 PolarHBondContact O-N 2.85Å; V200-S202 PolarHBondContact O-N 3.48Å; V200-V203 PolarHBondContact O-N 2.92Å; V200-S204 PolarHBondContact O-N 3.29Å; V200-L210 HydrophobicContact CB-CD2 4.15Å; V200-L210 HydrophobicContact CG1-CD2 4.22Å; V200-L213 HydrophobicContact CG1-CB 4.44Å; V200-L213 HydrophobicContact CG1-CD1 3.76Å; V200-Y241 HydrophobicContact CB-CD1 4.15Å; V200-Y241 HydrophobicContact CG2-CD1 3.85Å; V200-Y241 HydrophobicContact CG2-CG 4.24Å |
| 201 | K | 89.2 | Confident | 91 | Very high | 144 Ų | 144 | 47.5 Ų | 47.5 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -62.8 | -38.7 | 178.8 | -62.4 | -171.2 | 176.4 | -179.1 | 0 | 113.1 | G199 V203 S204 Y241 | G199-K201 PolarHBondContact O-N 3.39Å; K201-V203 VanDerWaalsContact C-N 3.25Å; K201-V203 PolarHBondContact O-N 3.44Å; K201-S204 WeakPolarHBondContact O-CB 3.36Å; K201-S204 PolarHBondContact O-OG 3.39Å; K201-S204 VanDerWaalsContact O-OG 3.1Å; K201-Y241 HydrophobicContact CD-CE2 4.28Å; K201-Y241 HydrophobicContact CG-CD2 4.01Å; K201-Y241 HydrophobicContact CG-CE1 4.23Å; K201-Y241 HydrophobicContact CG-CE2 3.7Å; K201-Y241 HydrophobicContact CG-CG 4.46Å |
| 202 | S | 89.6 | Confident | 91.4 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 62% | 0.622 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -73.3 | -20.9 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | G199 V200 H205 | G199-S202 PolarHBondContact O-N 2.98Å; G199-S202 PolarHBondContact O-OG 3.21Å; V200-S202 PolarHBondContact O-N 3.48Å; S202-H205 PolarHBondContact O-CE1 3.43Å; S202-H205 PolarHBondContact O-ND1 3.44Å |
| 203 | V | 89.8 | Confident | 91.7 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -105.6 | 16.5 | -176.7 | -159.1 | 0 | 0 | 0 | 0 | 111.7 | V200 K201 H205 D206 Q209 | V200-V203 PolarHBondContact O-N 2.92Å; K201-V203 VanDerWaalsContact C-N 3.25Å; K201-V203 PolarHBondContact O-N 3.44Å; V203-H205 PolarHBondContact O-N 3.45Å; V203-D206 HydrophobicContact CG1-CB 4.03Å; V203-D206 PolarHBondContact O-N 3.11Å; V203-Q209 HydrophobicContact CG1-CB 3.35Å; V203-Q209 HydrophobicContact CG1-CG 4.1Å |
| 204 | S | 89.9 | Confident | 91.9 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.4 | -177.3 | 57.4 | 0 | 0 | 0 | 0 | 115.4 | V200 K201 A248 A249 | V200-S204 PolarHBondContact O-N 3.29Å; K201-S204 WeakPolarHBondContact O-CB 3.36Å; K201-S204 PolarHBondContact O-OG 3.39Å; K201-S204 VanDerWaalsContact O-OG 3.1Å; S204-A248 PolarHBondContact O-N 3.36Å; S204-A248 VanDerWaalsContact O-N 3.11Å; S204-A249 PolarHBondContact O-N 3.1Å; S204-A249 VanDerWaalsContact O-N 3.08Å |
| 205 | H | 90.6 | Very high | 92.2 | Very high | 124 Ų | 124 | 48 Ų | 48 | 57% | 0.574 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -18.4 | 178.2 | 60.4 | -83.2 | 0 | 0 | 0 | 113.5 | S202 V203 A248 | S202-H205 PolarHBondContact O-CE1 3.43Å; S202-H205 PolarHBondContact O-ND1 3.44Å; V203-H205 PolarHBondContact O-N 3.45Å; H205-A248 HydrophobicContact CB-CB 4.03Å |
| 206 | D | 92.4 | Very high | 92.5 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | trans | -113.9 | 106.5 | -176.3 | -174.4 | -23.3 | 0 | 0 | 0 | 110.3 | V203 E208 Q209 L210 | V203-D206 HydrophobicContact CG1-CB 4.03Å; V203-D206 PolarHBondContact O-N 3.11Å; D206-E208 VanDerWaalsContact C-N 3.31Å; D206-E208 PolarHBondContact O-N 2.89Å; D206-E208 WeakPolarHBondContact OD1-CB 3.44Å; D206-E208 PolarHBondContact OD1-N 3.14Å; D206-Q209 HydrophobicContact CB-CB 4.15Å; D206-Q209 HydrophobicContact CB-CG 4.14Å; D206-Q209 VanDerWaalsContact CG-CG 3.42Å; D206-Q209 PolarHBondContact OD1-N 2.82Å; D206-Q209 VanDerWaalsContact OD1-N 3.15Å; D206-Q209 WeakPolarHBondContact OD2-CG 3.27Å; D206-L210 WeakPolarHBondContact O-CG 3.41Å; D206-L210 PolarHBondContact O-N 3.49Å; D206-L210 VanDerWaalsContact O-N 3.17Å | ||
| 207 | L | 92.3 | Very high | 92.8 | Very high | 36 Ų | 36 | 40.6 Ų | 40.6 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | -177.2 | -171.9 | 66.2 | 0 | 0 | 0 | 112.4 | N211 A249 N255 D256 H257 L260 | L207-N211 PolarHBondContact O-N 2.96Å; L207-A249 HydrophobicContact CB-CB 4.3Å; L207-N255 HydrophobicContact CD2-CB 4.48Å; L207-D256 WeakPolarHBondContact CD2-O 3.42Å; L207-H257 HydrophobicContact CD1-CB 4.2Å; L207-L260 HydrophobicContact CD1-CB 3.83Å; L207-L260 HydrophobicContact CD1-CD1 4.01Å; L207-L260 HydrophobicContact CD1-CD2 3.82Å; L207-L260 HydrophobicContact CD1-CG 4.08Å |
| 208 | E | 92.1 | Very high | 92.9 | Very high | 111 Ų | 111 | 44.3 Ų | 44.3 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.7 | -44.8 | -177.2 | -166.2 | -176 | 155.3 | 0 | 0 | 110.2 | D206 L210 N211 R212 | D206-E208 VanDerWaalsContact C-N 3.31Å; D206-E208 PolarHBondContact O-N 2.89Å; D206-E208 WeakPolarHBondContact OD1-CB 3.44Å; D206-E208 PolarHBondContact OD1-N 3.14Å; E208-L210 PolarHBondContact O-N 3.39Å; E208-N211 WeakPolarHBondContact O-CB 3.46Å; E208-N211 PolarHBondContact O-N 3.33Å; E208-R212 VanDerWaalsContact O-CG 3.25Å; E208-R212 WeakPolarHBondContact O-CG 3.25Å; E208-R212 PolarHBondContact O-N 3.31Å; E208-R212 IonicContact OE1-CZ 3.57Å; E208-R212 VanDerWaalsContact OE1-CZ 3.31Å; E208-R212 IonicContact OE1-NE 3.48Å; E208-R212 PolarHBondContact OE1-NE 2.86Å; E208-R212 VanDerWaalsContact OE1-NE 3.09Å; E208-R212 IonicContact OE1-NH2 3.36Å; E208-R212 PolarHBondContact OE1-NH2 2.9Å |
| 209 | Q | 93.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 176.9 | -65.7 | -68.2 | -19.9 | 0 | 0 | 112.4 | L166 V203 D206 N211 R212 L213 | L166-Q209 VanDerWaalsContact CD2-OE1 3.25Å; L166-Q209 PolarHBondContact O-NE2 2.79Å; L166-Q209 PolarHBondContact O-OE1 3.42Å; V203-Q209 HydrophobicContact CG1-CB 3.35Å; V203-Q209 HydrophobicContact CG1-CG 4.1Å; D206-Q209 HydrophobicContact CB-CB 4.15Å; D206-Q209 HydrophobicContact CB-CG 4.14Å; D206-Q209 VanDerWaalsContact CG-CG 3.42Å; D206-Q209 PolarHBondContact OD1-N 2.82Å; D206-Q209 VanDerWaalsContact OD1-N 3.15Å; D206-Q209 WeakPolarHBondContact OD2-CG 3.27Å; Q209-N211 VanDerWaalsContact C-N 3.31Å; Q209-N211 PolarHBondContact O-N 3.44Å; Q209-R212 WeakPolarHBondContact O-CB 3.22Å; Q209-R212 PolarHBondContact O-N 3.2Å; Q209-L213 WeakPolarHBondContact O-CG 3.48Å; Q209-L213 PolarHBondContact O-N 3.12Å |
| 210 | L | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 171.3 | -73.2 | 173.5 | 0 | 0 | 0 | 111.5 | V200 D206 E208 R212 L213 L214 L247 L260 | V200-L210 HydrophobicContact CB-CD2 4.15Å; V200-L210 HydrophobicContact CG1-CD2 4.22Å; D206-L210 WeakPolarHBondContact O-CG 3.41Å; D206-L210 PolarHBondContact O-N 3.49Å; D206-L210 VanDerWaalsContact O-N 3.17Å; E208-L210 PolarHBondContact O-N 3.39Å; L210-R212 PolarHBondContact O-N 3.41Å; L210-L213 PolarHBondContact O-N 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.31Å; L210-L214 PolarHBondContact O-N 3.11Å; L210-L247 HydrophobicContact CD1-CD1 3.84Å; L210-L247 HydrophobicContact CD1-CD2 4.01Å; L210-L247 HydrophobicContact CD1-CG 4.44Å; L210-L260 HydrophobicContact CB-CD1 4.01Å; L210-L260 HydrophobicContact CB-CD2 4.33Å; L210-L260 HydrophobicContact CD1-CD2 4.28Å |
| 211 | N | 94.8 | Very high | 94 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.8 | -168.7 | 45.4 | 0 | 0 | 0 | 111.9 | L207 E208 Q209 L213 L214 H215 L260 | L207-N211 PolarHBondContact O-N 2.96Å; E208-N211 WeakPolarHBondContact O-CB 3.46Å; E208-N211 PolarHBondContact O-N 3.33Å; Q209-N211 VanDerWaalsContact C-N 3.31Å; Q209-N211 PolarHBondContact O-N 3.44Å; N211-L213 VanDerWaalsContact C-N 3.34Å; N211-L213 PolarHBondContact O-N 3.39Å; N211-L214 PolarHBondContact O-N 3.12Å; N211-H215 PolarHBondContact ND2-NE2 3.27Å; N211-H215 PolarHBondContact O-CD2 2.93Å; N211-H215 PolarHBondContact O-N 2.97Å; N211-L260 HydrophobicContact CB-CD1 3.78Å |
| 212 | R | 95.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 4% | 0.038 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.2 | -69.1 | 166.7 | 175.9 | -92.9 | 8.3 | 112 | I165 L166 G167 M173 E208 Q209 L210 H215 M216 | I165-R212 HydrophobicContact CG2-CB 4.35Å; I165-R212 WeakPolarHBondContact O-CD 3.19Å; I165-R212 PolarHBondContact O-NH1 3.45Å; L166-R212 HydrophobicContact CD2-CB 4.45Å; G167-R212 PolarHBondContact O-NH1 2.97Å; G167-R212 PolarHBondContact O-NH2 3.22Å; M173-R212 HydrophobicContact SD-CG 3.69Å; M173-R212 PolarHBondContact SD-NH1 3.3Å; E208-R212 VanDerWaalsContact O-CG 3.25Å; E208-R212 WeakPolarHBondContact O-CG 3.25Å; E208-R212 PolarHBondContact O-N 3.31Å; E208-R212 IonicContact OE1-CZ 3.57Å; E208-R212 VanDerWaalsContact OE1-CZ 3.31Å; E208-R212 IonicContact OE1-NE 3.48Å; E208-R212 PolarHBondContact OE1-NE 2.86Å; E208-R212 VanDerWaalsContact OE1-NE 3.09Å; E208-R212 IonicContact OE1-NH2 3.36Å; E208-R212 PolarHBondContact OE1-NH2 2.9Å; Q209-R212 WeakPolarHBondContact O-CB 3.22Å; Q209-R212 PolarHBondContact O-N 3.2Å; L210-R212 PolarHBondContact O-N 3.41Å; R212-H215 PolarHBondContact O-N 2.97Å; R212-M216 PolarHBondContact O-N 2.97Å |
| 213 | L | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 174.2 | -69.5 | 174.2 | 0 | 0 | 0 | 112.3 | L166 V196 V200 Q209 L210 N211 H215 M216 V217 | L166-L213 HydrophobicContact CD2-CD2 3.9Å; L166-L213 HydrophobicContact CD2-CG 4.24Å; V196-L213 HydrophobicContact CG1-CD2 3.9Å; V200-L213 HydrophobicContact CG1-CB 4.44Å; V200-L213 HydrophobicContact CG1-CD1 3.76Å; Q209-L213 WeakPolarHBondContact O-CG 3.48Å; Q209-L213 PolarHBondContact O-N 3.12Å; L210-L213 PolarHBondContact O-N 3.22Å; N211-L213 VanDerWaalsContact C-N 3.34Å; N211-L213 PolarHBondContact O-N 3.39Å; L213-H215 VanDerWaalsContact C-N 3.33Å; L213-H215 PolarHBondContact O-N 3.47Å; L213-M216 HydrophobicContact CD2-CE 4.41Å; L213-M216 WeakPolarHBondContact O-CB 3.48Å; L213-M216 PolarHBondContact O-N 3.3Å; L213-M216 VanDerWaalsContact O-N 3.16Å; L213-V217 WeakPolarHBondContact O-CG2 3.37Å; L213-V217 PolarHBondContact O-N 3.47Å |
| 214 | L | 96.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -34.3 | 175.4 | -64.9 | 175.9 | 0 | 0 | 0 | 112.2 | L210 N211 V217 K218 V239 C242 L260 Y263 A264 L267 | L210-L214 WeakPolarHBondContact O-CG 3.31Å; L210-L214 PolarHBondContact O-N 3.11Å; N211-L214 PolarHBondContact O-N 3.12Å; L214-V217 PolarHBondContact O-N 3.08Å; L214-K218 PolarHBondContact O-N 2.61Å; L214-V239 HydrophobicContact CD2-CG2 4.06Å; L214-C242 HydrophobicContact CD1-CB 4.42Å; L214-C242 HydrophobicContact CD2-CB 4.4Å; L214-L260 HydrophobicContact CD1-CD1 3.82Å; L214-L260 HydrophobicContact CD1-CG 3.99Å; L214-Y263 HydrophobicContact CB-CD1 3.93Å; L214-Y263 HydrophobicContact CB-CE1 3.59Å; L214-Y263 HydrophobicContact CD1-CD1 3.99Å; L214-Y263 HydrophobicContact CD1-CE1 4.5Å; L214-A264 HydrophobicContact CD1-CB 3.85Å; L214-A264 HydrophobicContact CD2-CB 4.41Å; L214-L267 HydrophobicContact CB-CD2 4.15Å; L214-L267 HydrophobicContact CD2-CD2 4.19Å; L214-L267 VanDerWaalsContact O-CD2 3.32Å; L214-L267 WeakPolarHBondContact O-CD2 3.36Å |
| 215 | H | 96.8 | Very high | 94.8 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | 170.8 | -72.7 | -53.1 | 0 | 0 | 0 | 112.7 | L177 N211 R212 L213 K218 S219 Y263 | L177-H215 HydrophobicContact CD1-CB 3.76Å; L177-H215 HydrophobicContact CD2-CB 4.17Å; N211-H215 PolarHBondContact ND2-NE2 3.27Å; N211-H215 PolarHBondContact O-CD2 2.93Å; N211-H215 PolarHBondContact O-N 2.97Å; R212-H215 PolarHBondContact O-N 2.97Å; L213-H215 VanDerWaalsContact C-N 3.33Å; L213-H215 PolarHBondContact O-N 3.47Å; H215-K218 PolarHBondContact O-N 3.05Å; H215-S219 PolarHBondContact O-N 3.31Å; H215-S219 PolarHBondContact O-OG 3.16Å; H215-Y263 AromaticContact CE1-CE1 3.98Å; H215-Y263 AromaticContact CE1-CZ 3.67Å; H215-Y263 AromaticContact ND1-CE1 3.93Å; H215-Y263 AromaticContact ND1-CZ 3.56Å; H215-Y263 PolarHBondContact ND1-OH 3.05Å |
| 216 | M | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 172 | -167.1 | -173.3 | -63.3 | 0 | 0 | 111.1 | I165 L177 L180 F193 V196 I197 R212 L213 K218 S219 L220 | I165-M216 HydrophobicContact CB-CE 3.93Å; I165-M216 HydrophobicContact CD1-CE 3.74Å; I165-M216 HydrophobicContact CD1-CG 4.22Å; I165-M216 HydrophobicContact CG1-CE 4.44Å; I165-M216 HydrophobicContact CG2-CB 4.48Å; I165-M216 HydrophobicContact CG2-CE 3.56Å; L177-M216 HydrophobicContact CD2-CB 4.37Å; L180-M216 HydrophobicContact CD1-CG 3.91Å; F193-M216 HydrophobicContact CD1-SD 4.16Å; V196-M216 HydrophobicContact CG1-CE 4.49Å; I197-M216 HydrophobicContact CD1-CG 4.18Å; I197-M216 HydrophobicContact CD1-SD 4.07Å; I197-M216 HydrophobicContact CG1-SD 3.98Å; R212-M216 PolarHBondContact O-N 2.97Å; L213-M216 HydrophobicContact CD2-CE 4.41Å; L213-M216 WeakPolarHBondContact O-CB 3.48Å; L213-M216 PolarHBondContact O-N 3.3Å; L213-M216 VanDerWaalsContact O-N 3.16Å; M216-K218 PolarHBondContact O-N 3.37Å; M216-S219 PolarHBondContact O-N 3.48Å; M216-L220 HydrophobicContact CG-CD1 4.49Å; M216-L220 WeakPolarHBondContact O-CG 3.33Å; M216-L220 PolarHBondContact O-N 3.17Å |
| 217 | V | 97.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.7 | -49.6 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | I197 L213 L214 S219 L220 V221 L235 V239 L267 I271 | I197-V217 HydrophobicContact CB-CG2 4.39Å; I197-V217 HydrophobicContact CD1-CG2 3.78Å; I197-V217 HydrophobicContact CG1-CG2 4.02Å; I197-V217 HydrophobicContact CG2-CG2 3.46Å; I197-V217 VanDerWaalsContact CG2-CG2 3.46Å; L213-V217 WeakPolarHBondContact O-CG2 3.37Å; L213-V217 PolarHBondContact O-N 3.47Å; L214-V217 PolarHBondContact O-N 3.08Å; V217-S219 VanDerWaalsContact C-N 3.3Å; V217-S219 PolarHBondContact O-N 3.31Å; V217-L220 PolarHBondContact O-N 3.01Å; V217-V221 HydrophobicContact CG1-CG2 4.13Å; V217-V221 WeakPolarHBondContact O-CB 3.24Å; V217-V221 WeakPolarHBondContact O-CG2 3.15Å; V217-V221 PolarHBondContact O-N 3.43Å; V217-L235 HydrophobicContact CG2-CD2 4.28Å; V217-V239 HydrophobicContact CG1-CG2 4.09Å; V217-L267 HydrophobicContact CB-CD2 3.97Å; V217-L267 HydrophobicContact CG1-CD1 4.46Å; V217-L267 HydrophobicContact CG1-CD2 3.83Å; V217-L267 HydrophobicContact CG1-CG 4.3Å; V217-I271 HydrophobicContact CG1-CD1 3.82Å |
| 218 | K | 97.3 | Very high | 94.3 | Very high | 79 Ų | 79 | 39.5 Ų | 39.5 | 34% | 0.343 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56 | -45.2 | 177.8 | 179.9 | 178.6 | 172.6 | -176.5 | 0 | 111.9 | L214 H215 M216 V221 Q222 Y263 L267 | L214-K218 PolarHBondContact O-N 2.61Å; H215-K218 PolarHBondContact O-N 3.05Å; M216-K218 PolarHBondContact O-N 3.37Å; K218-V221 PolarHBondContact O-N 3.22Å; K218-Q222 HydrophobicContact CG-CG 4.47Å; K218-Q222 WeakPolarHBondContact O-CB 3.3Å; K218-Q222 VanDerWaalsContact O-CG 3.27Å; K218-Q222 WeakPolarHBondContact O-CG 3.41Å; K218-Q222 PolarHBondContact O-N 3.26Å; K218-Y263 WeakPolarHBondContact CD-OH 3.45Å; K218-L267 HydrophobicContact CB-CD1 3.84Å; K218-L267 HydrophobicContact CG-CD1 4.33Å |
| 219 | S | 97.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | -177.8 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | L177 Q181 H215 M216 V217 Q222 N223 | L177-S219 WeakPolarHBondContact CD2-OG 3.46Å; L177-S219 WeakPolarHBondContact O-CB 3.19Å; Q181-S219 WeakPolarHBondContact CA-O 3.39Å; H215-S219 PolarHBondContact O-N 3.31Å; H215-S219 PolarHBondContact O-OG 3.16Å; M216-S219 PolarHBondContact O-N 3.48Å; V217-S219 VanDerWaalsContact C-N 3.3Å; V217-S219 PolarHBondContact O-N 3.31Å; S219-Q222 PolarHBondContact O-N 2.94Å; S219-N223 PolarHBondContact O-N 3.4Å |
| 220 | L | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.9 | -66.4 | 174.1 | 0 | 0 | 0 | 112.5 | L180 I186 L190 F193 I197 M216 V217 Q222 N223 L226 | L180-L220 HydrophobicContact CD2-CD2 4.45Å; I186-L220 HydrophobicContact CD1-CD2 4.48Å; L190-L220 HydrophobicContact CD1-CD1 4.45Å; L190-L220 HydrophobicContact CD1-CD2 4.47Å; F193-L220 HydrophobicContact CB-CD1 3.9Å; F193-L220 HydrophobicContact CD2-CD2 4.42Å; I197-L220 HydrophobicContact CD1-CD1 3.53Å; M216-L220 HydrophobicContact CG-CD1 4.49Å; M216-L220 WeakPolarHBondContact O-CG 3.33Å; M216-L220 PolarHBondContact O-N 3.17Å; V217-L220 PolarHBondContact O-N 3.01Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.22Å; L220-N223 PolarHBondContact O-N 2.95Å; L220-L226 HydrophobicContact CD2-CD1 3.9Å |
| 221 | V | 95.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -32.3 | 179.9 | 169.2 | 0 | 0 | 0 | 0 | 112.2 | V217 K218 N223 L228 L235 I271 H275 | V217-V221 HydrophobicContact CG1-CG2 4.13Å; V217-V221 WeakPolarHBondContact O-CB 3.24Å; V217-V221 WeakPolarHBondContact O-CG2 3.15Å; V217-V221 PolarHBondContact O-N 3.43Å; K218-V221 PolarHBondContact O-N 3.22Å; V221-N223 VanDerWaalsContact C-N 3.35Å; V221-L228 HydrophobicContact CB-CD1 4.38Å; V221-L228 HydrophobicContact CG2-CD1 3.86Å; V221-L235 HydrophobicContact CG2-CD1 4.43Å; V221-I271 HydrophobicContact CG1-CG1 4.14Å; V221-I271 HydrophobicContact CG2-CD1 4.34Å; V221-I271 HydrophobicContact CG2-CG1 3.8Å; V221-H275 PolarHBondContact O-NE2 2.94Å |
| 222 | Q | 95.6 | Very high | 93.1 | Very high | 67 Ų | 67 | 37.3 Ų | 37.3 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -5.3 | 179 | -69.2 | -176.7 | -18.1 | 0 | 0 | 113.8 | Q181 K218 S219 L220 P224 H270 | Q181-Q222 HydrophobicContact CG-CB 4.04Å; K218-Q222 HydrophobicContact CG-CG 4.47Å; K218-Q222 WeakPolarHBondContact O-CB 3.3Å; K218-Q222 VanDerWaalsContact O-CG 3.27Å; K218-Q222 WeakPolarHBondContact O-CG 3.41Å; K218-Q222 PolarHBondContact O-N 3.26Å; S219-Q222 PolarHBondContact O-N 2.94Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.22Å; Q222-P224 WeakPolarHBondContact O-CD 3.46Å; Q222-H270 PolarHBondContact NE2-NE2 3.37Å |
| 223 | N | 95.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | trans | -80.8 | 115.1 | -179.6 | -173.2 | -29.7 | 0 | 0 | 0 | 110.8 | L180 Q181 N183 S219 L220 V221 Y225 L226 | L180-N223 PolarHBondContact O-ND2 3.21Å; Q181-N223 VanDerWaalsContact O-CA 3.31Å; Q181-N223 WeakPolarHBondContact O-CA 3.46Å; Q181-N223 WeakPolarHBondContact O-CB 3.34Å; Q181-N223 VanDerWaalsContact O-CG 3.32Å; N183-N223 PolarHBondContact O-ND2 3.38Å; S219-N223 PolarHBondContact O-N 3.4Å; L220-N223 PolarHBondContact O-N 2.95Å; V221-N223 VanDerWaalsContact C-N 3.35Å; N223-Y225 PolarHBondContact O-N 3.24Å; N223-Y225 WeakPolarHBondContact OD1-CB 3.47Å; N223-Y225 WeakPolarHBondContact OD1-CD2 3.49Å; N223-Y225 PolarHBondContact OD1-N 3.26Å; N223-L226 HydrophobicContact CB-CD1 3.83Å; N223-L226 HydrophobicContact CB-CG 4.01Å; N223-L226 PolarHBondContact O-N 3.5Å | ||
| 224 | P | 92.6 | Very high | 92.7 | Very high | 103 Ų | 103 | 44.4 Ų | 44.4 | 67% | 0.669 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.8 | -176.6 | 31.2 | -36.6 | 0 | 0 | 0 | 113.6 | Q222 | Q222-P224 WeakPolarHBondContact O-CD 3.46Š|
| 225 | Y | 91.6 | Very high | 92.7 | Very high | 142 Ų | 142 | 44.3 Ų | 44.3 | 56% | 0.557 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -0.4 | -178.6 | -52.6 | -68.3 | 0 | 0 | 0 | 112.9 | S182 N223 | S182-Y225 WeakPolarHBondContact O-CE2 3.34Å; N223-Y225 PolarHBondContact O-N 3.24Å; N223-Y225 WeakPolarHBondContact OD1-CB 3.47Å; N223-Y225 WeakPolarHBondContact OD1-CD2 3.49Å; N223-Y225 PolarHBondContact OD1-N 3.26Å |
| 226 | L | 90.2 | Very high | 92.6 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | trans | -107.2 | 134.2 | 179.8 | -59.6 | 179.2 | 0 | 0 | 0 | 111.8 | I186 A187 L190 L220 N223 | I186-L226 HydrophobicContact CD1-CD1 4.09Å; I186-L226 HydrophobicContact CG1-CD1 4.23Å; I186-L226 HydrophobicContact CG1-CD2 3.83Å; I186-L226 HydrophobicContact CG1-CG 4.45Å; A187-L226 HydrophobicContact CB-CD2 4.09Å; L190-L226 HydrophobicContact CD1-CD1 4.38Å; L220-L226 HydrophobicContact CD2-CD1 3.9Å; N223-L226 HydrophobicContact CB-CD1 3.83Å; N223-L226 HydrophobicContact CB-CG 4.01Å; N223-L226 PolarHBondContact O-N 3.5Å | ||
| 227 | Y | 88.4 | Confident | 92.5 | Very high | 130 Ų | 130 | 45.4 Ų | 45.4 | 51% | 0.51 | 23% | 0.229 | S | C | . | . | trans | -98.6 | 108.9 | 168.8 | -178.8 | -103.9 | 0 | 0 | 0 | 109.7 | L131 L278 | L131-Y227 HydrophobicContact CD2-CE1 4.04Å; Y227-L278 HydrophobicContact CE2-CD1 4.4Å; Y227-L278 HydrophobicContact CE2-CD2 4.15Å | ||
| 228 | L | 87.4 | Confident | 92.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -86.3 | -8.6 | -175.6 | -66.5 | -177.4 | 0 | 0 | 0 | 114.5 | L190 V221 S230 Y231 V232 L235 | L190-L228 HydrophobicContact CD1-CD2 3.74Å; L190-L228 HydrophobicContact CD2-CD2 3.92Å; L190-L228 HydrophobicContact CG-CD2 4.44Å; V221-L228 HydrophobicContact CB-CD1 4.38Å; V221-L228 HydrophobicContact CG2-CD1 3.86Å; L228-S230 PolarHBondContact O-N 2.88Å; L228-Y231 CarbonylContact O-C 3.43Å; L228-Y231 WeakPolarHBondContact O-CA 3.43Å; L228-Y231 WeakPolarHBondContact O-CB 3.37Å; L228-Y231 PolarHBondContact O-N 3.19Å; L228-V232 HydrophobicContact CB-CG2 3.86Å; L228-V232 PolarHBondContact O-N 3.31Å; L228-V232 VanDerWaalsContact O-N 3.08Å; L228-L235 HydrophobicContact CD1-CD1 4.06Å; L228-L235 HydrophobicContact CD2-CD1 4.23Å | ||
| 229 | G | 83.6 | Confident | 92.5 | Very high | 8 Ų | 8 | 42 Ų | 42 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -34.3 | -60 | -161.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y231 | G229-Y231 VanDerWaalsContact C-N 3.33Å; G229-Y231 PolarHBondContact O-N 3.12Å |
| 230 | S | 83.2 | Confident | 92.4 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 58% | 0.58 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.5 | -179.6 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | L228 | L228-S230 PolarHBondContact O-N 2.88Š|
| 231 | Y | 89.8 | Confident | 92.4 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 26% | 0.255 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -17.1 | -177.3 | -55.8 | -70.3 | 0 | 0 | 0 | 113.6 | L190 P191 V194 L228 G229 R233 S234 L235 | L190-Y231 HydrophobicContact CD2-CD2 3.73Å; L190-Y231 HydrophobicContact CD2-CE2 3.91Å; L190-Y231 HydrophobicContact CG-CD2 4.13Å; L190-Y231 HydrophobicContact CG-CE2 4.26Å; P191-Y231 HydrophobicContact CB-CE1 4.35Å; P191-Y231 WeakPolarHBondContact CG-OH 3.43Å; V194-Y231 HydrophobicContact CB-CD1 4.27Å; V194-Y231 HydrophobicContact CG1-CD1 4.07Å; V194-Y231 HydrophobicContact CG2-CD1 4.17Å; V194-Y231 HydrophobicContact CG2-CG 4.13Å; L228-Y231 CarbonylContact O-C 3.43Å; L228-Y231 WeakPolarHBondContact O-CA 3.43Å; L228-Y231 WeakPolarHBondContact O-CB 3.37Å; L228-Y231 PolarHBondContact O-N 3.19Å; G229-Y231 VanDerWaalsContact C-N 3.33Å; G229-Y231 PolarHBondContact O-N 3.12Å; Y231-R233 VanDerWaalsContact C-N 3.29Å; Y231-R233 PolarHBondContact O-N 3.22Å; Y231-S234 WeakPolarHBondContact O-CA 3.02Å; Y231-S234 WeakPolarHBondContact O-CB 3.36Å; Y231-S234 PolarHBondContact O-N 3.02Å; Y231-L235 PolarHBondContact O-N 3.47Å |
| 232 | V | 92.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.6 | -46.3 | -179 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L228 S234 L235 V236 I271 H275 L278 V279 L282 | L228-V232 HydrophobicContact CB-CG2 3.86Å; L228-V232 PolarHBondContact O-N 3.31Å; L228-V232 VanDerWaalsContact O-N 3.08Å; V232-S234 VanDerWaalsContact C-N 3.3Å; V232-S234 PolarHBondContact O-N 3.4Å; V232-L235 PolarHBondContact O-N 2.99Å; V232-V236 HydrophobicContact CG1-CG2 4.15Å; V232-V236 WeakPolarHBondContact O-CB 3.29Å; V232-V236 VanDerWaalsContact O-CG2 3.29Å; V232-V236 WeakPolarHBondContact O-CG2 3.4Å; V232-V236 PolarHBondContact O-N 2.89Å; V232-I271 HydrophobicContact CG1-CG2 4.16Å; V232-H275 HydrophobicContact CG2-CB 3.93Å; V232-L278 HydrophobicContact CG2-CD1 4.33Å; V232-V279 HydrophobicContact CB-CG2 3.94Å; V232-V279 HydrophobicContact CG1-CG2 4.15Å; V232-L282 HydrophobicContact CG1-CD2 3.94Å |
| 233 | R | 91.1 | Very high | 92.5 | Very high | 120 Ų | 120 | 40.6 Ų | 40.6 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.6 | -37.2 | 179 | -171.4 | -178 | -70.8 | 110.4 | -3.4 | 112.5 | Y231 S237 | Y231-R233 VanDerWaalsContact C-N 3.29Å; Y231-R233 PolarHBondContact O-N 3.22Å; R233-S237 WeakPolarHBondContact O-CB 3.33Å; R233-S237 PolarHBondContact O-N 3.35Å; R233-S237 PolarHBondContact O-OG 3.44Å |
| 234 | S | 92.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 41 Ų | 41 | 31% | 0.308 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.2 | -46.3 | 177.2 | -158.8 | 0 | 0 | 0 | 0 | 111 | S198 Y231 V232 S237 S238 | S198-S234 PolarHBondContact OG-OG 2.86Å; Y231-S234 WeakPolarHBondContact O-CA 3.02Å; Y231-S234 WeakPolarHBondContact O-CB 3.36Å; Y231-S234 PolarHBondContact O-N 3.02Å; V232-S234 VanDerWaalsContact C-N 3.3Å; V232-S234 PolarHBondContact O-N 3.4Å; S234-S237 WeakPolarHBondContact O-CB 3.34Å; S234-S237 PolarHBondContact O-N 2.92Å; S234-S238 PolarHBondContact O-N 3.17Å; S234-S238 PolarHBondContact O-OG 3.19Å |
| 235 | L | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 177.3 | -67.4 | 176.5 | 0 | 0 | 0 | 111.6 | V194 I197 V217 V221 L228 Y231 V232 S237 S238 V239 | V194-L235 HydrophobicContact CG1-CD2 4.33Å; V194-L235 HydrophobicContact CG2-CD2 4.15Å; I197-L235 HydrophobicContact CB-CD2 4.49Å; I197-L235 HydrophobicContact CD1-CD2 4.01Å; I197-L235 HydrophobicContact CG2-CD2 3.9Å; V217-L235 HydrophobicContact CG2-CD2 4.28Å; V221-L235 HydrophobicContact CG2-CD1 4.43Å; L228-L235 HydrophobicContact CD1-CD1 4.06Å; L228-L235 HydrophobicContact CD2-CD1 4.23Å; Y231-L235 PolarHBondContact O-N 3.47Å; V232-L235 PolarHBondContact O-N 2.99Å; L235-S237 VanDerWaalsContact C-N 3.27Å; L235-S237 PolarHBondContact O-N 3.12Å; L235-S238 PolarHBondContact O-N 2.68Å; L235-V239 WeakPolarHBondContact O-CG2 3.31Å; L235-V239 PolarHBondContact O-N 3.39Å |
| 236 | V | 95.8 | Very high | 92.4 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 175 | 169 | 0 | 0 | 0 | 0 | 110.6 | V232 S238 V239 M240 L268 I271 L282 I286 | V232-V236 HydrophobicContact CG1-CG2 4.15Å; V232-V236 WeakPolarHBondContact O-CB 3.29Å; V232-V236 VanDerWaalsContact O-CG2 3.29Å; V232-V236 WeakPolarHBondContact O-CG2 3.4Å; V232-V236 PolarHBondContact O-N 2.89Å; V236-S238 PolarHBondContact O-N 3.44Å; V236-V239 PolarHBondContact O-N 3.38Å; V236-M240 HydrophobicContact CG1-CG 4.02Å; V236-M240 VanDerWaalsContact O-CB 3.24Å; V236-M240 WeakPolarHBondContact O-CB 3.33Å; V236-M240 WeakPolarHBondContact O-CG 3.48Å; V236-M240 PolarHBondContact O-N 3.32Å; V236-L268 HydrophobicContact CG1-CD1 3.83Å; V236-L268 HydrophobicContact CG2-CD1 4.4Å; V236-I271 HydrophobicContact CG2-CG2 3.76Å; V236-L282 HydrophobicContact CB-CD1 4.5Å; V236-L282 HydrophobicContact CG1-CD1 4.24Å; V236-L282 HydrophobicContact CG2-CD1 4.31Å; V236-L282 HydrophobicContact CG2-CD2 4.35Å; V236-I286 HydrophobicContact CG1-CD1 4.06Å; V236-I286 HydrophobicContact CG1-CG1 4.01Å |
| 237 | S | 95.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 46% | 0.455 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 177.5 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | R233 S234 L235 Y241 | R233-S237 WeakPolarHBondContact O-CB 3.33Å; R233-S237 PolarHBondContact O-N 3.35Å; R233-S237 PolarHBondContact O-OG 3.44Å; S234-S237 WeakPolarHBondContact O-CB 3.34Å; S234-S237 PolarHBondContact O-N 2.92Å; L235-S237 VanDerWaalsContact C-N 3.27Å; L235-S237 PolarHBondContact O-N 3.12Å; S237-Y241 WeakPolarHBondContact O-CB 3.29Å; S237-Y241 PolarHBondContact O-N 3.33Å |
| 238 | S | 96.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 175.5 | -68.5 | 0 | 0 | 0 | 0 | 113 | I197 S198 S234 L235 V236 Y241 C242 | I197-S238 PolarHBondContact O-OG 3.49Å; S198-S238 WeakPolarHBondContact CA-OG 3.5Å; S234-S238 PolarHBondContact O-N 3.17Å; S234-S238 PolarHBondContact O-OG 3.19Å; L235-S238 PolarHBondContact O-N 2.68Å; V236-S238 PolarHBondContact O-N 3.44Å; S238-Y241 WeakPolarHBondContact O-CB 3.13Å; S238-Y241 PolarHBondContact O-N 3.5Å; S238-C242 PolarHBondContact O-N 2.62Å; S238-C242 PolarHBondContact O-SG 3.32Å; S238-C242 VanDerWaalsContact O-SG 3.36Å |
| 239 | V | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69 | -43.8 | 176.9 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | L214 V217 L235 V236 Y241 C242 I243 A264 L267 L268 I271 | L214-V239 HydrophobicContact CD2-CG2 4.06Å; V217-V239 HydrophobicContact CG1-CG2 4.09Å; L235-V239 WeakPolarHBondContact O-CG2 3.31Å; L235-V239 PolarHBondContact O-N 3.39Å; V236-V239 PolarHBondContact O-N 3.38Å; V239-Y241 VanDerWaalsContact C-N 3.27Å; V239-Y241 PolarHBondContact O-N 3.03Å; V239-C242 WeakPolarHBondContact O-CB 3.35Å; V239-C242 PolarHBondContact O-N 3.47Å; V239-C242 VanDerWaalsContact O-N 3.07Å; V239-I243 HydrophobicContact CG1-CD1 3.93Å; V239-I243 WeakPolarHBondContact O-CG1 3.31Å; V239-I243 PolarHBondContact O-N 2.88Å; V239-A264 HydrophobicContact CG1-CB 4.18Å; V239-A264 WeakPolarHBondContact CG1-O 3.41Å; V239-L267 HydrophobicContact CG2-CD2 4.22Å; V239-L268 HydrophobicContact CG1-CB 3.9Å; V239-I271 HydrophobicContact CG2-CD1 3.99Å |
| 240 | M | 96.1 | Very high | 92 | Very high | 18 Ų | 18 | 32 Ų | 32 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -34.8 | 175.3 | -74.9 | -68.2 | -77.8 | 0 | 0 | 112.5 | V236 I243 L244 L268 I286 L290 | V236-M240 HydrophobicContact CG1-CG 4.02Å; V236-M240 VanDerWaalsContact O-CB 3.24Å; V236-M240 WeakPolarHBondContact O-CB 3.33Å; V236-M240 WeakPolarHBondContact O-CG 3.48Å; V236-M240 PolarHBondContact O-N 3.32Å; M240-I243 PolarHBondContact O-N 2.79Å; M240-I243 HydrophobicContact SD-CD1 4.24Å; M240-L244 HydrophobicContact CE-CD1 3.49Å; M240-L244 VanDerWaalsContact CE-CD1 3.49Å; M240-L244 HydrophobicContact CE-CG 4.29Å; M240-L244 WeakPolarHBondContact O-CB 3.38Å; M240-L244 PolarHBondContact O-N 3.18Å; M240-L268 HydrophobicContact CG-CD1 4.15Å; M240-L268 HydrophobicContact CG-CD2 4.48Å; M240-L268 HydrophobicContact SD-CD1 4.16Å; M240-L268 HydrophobicContact SD-CD2 3.45Å; M240-L268 WeakPolarHBondContact SD-CD2 3.24Å; M240-L268 HydrophobicContact SD-CG 4.45Å; M240-I286 HydrophobicContact CE-CG2 4.32Å; M240-I286 HydrophobicContact SD-CG2 4.32Å; M240-L290 HydrophobicContact CE-CD2 3.89Å; M240-L290 HydrophobicContact CE-CG 4.09Å; M240-L290 HydrophobicContact SD-CD2 4.37Å |
| 241 | Y | 96.1 | Very high | 92 | Very high | 39 Ų | 39 | 34.6 Ų | 34.6 | 15% | 0.153 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 171.9 | -179.5 | -93.4 | 0 | 0 | 0 | 111.4 | V200 K201 S237 S238 V239 I243 L244 E245 L247 | V200-Y241 HydrophobicContact CB-CD1 4.15Å; V200-Y241 HydrophobicContact CG2-CD1 3.85Å; V200-Y241 HydrophobicContact CG2-CG 4.24Å; K201-Y241 HydrophobicContact CD-CE2 4.28Å; K201-Y241 HydrophobicContact CG-CD2 4.01Å; K201-Y241 HydrophobicContact CG-CE1 4.23Å; K201-Y241 HydrophobicContact CG-CE2 3.7Å; K201-Y241 HydrophobicContact CG-CG 4.46Å; S237-Y241 WeakPolarHBondContact O-CB 3.29Å; S237-Y241 PolarHBondContact O-N 3.33Å; S238-Y241 WeakPolarHBondContact O-CB 3.13Å; S238-Y241 PolarHBondContact O-N 3.5Å; V239-Y241 VanDerWaalsContact C-N 3.27Å; V239-Y241 PolarHBondContact O-N 3.03Å; Y241-I243 VanDerWaalsContact C-N 3.28Å; Y241-I243 PolarHBondContact O-N 3.34Å; Y241-L244 PolarHBondContact O-N 3.4Å; Y241-E245 HydrophobicContact CD2-CB 3.89Å; Y241-E245 HydrophobicContact CD2-CG 3.43Å; Y241-E245 VanDerWaalsContact CD2-CG 3.43Å; Y241-E245 HydrophobicContact CE2-CB 3.74Å; Y241-E245 HydrophobicContact CE2-CG 3.6Å; Y241-E245 HydrophobicContact CG-CB 4.39Å; Y241-E245 HydrophobicContact CG-CG 4.18Å; Y241-E245 WeakPolarHBondContact O-CB 3.36Å; Y241-E245 PolarHBondContact O-N 2.89Å; Y241-L247 HydrophobicContact CD1-CD2 4.41Å; Y241-L247 HydrophobicContact CE1-CD2 3.89Å |
| 242 | C | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -30 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | L214 S238 V239 L260 A264 | L214-C242 HydrophobicContact CD1-CB 4.42Å; L214-C242 HydrophobicContact CD2-CB 4.4Å; S238-C242 PolarHBondContact O-N 2.62Å; S238-C242 PolarHBondContact O-SG 3.32Å; S238-C242 VanDerWaalsContact O-SG 3.36Å; V239-C242 WeakPolarHBondContact O-CB 3.35Å; V239-C242 PolarHBondContact O-N 3.47Å; V239-C242 VanDerWaalsContact O-N 3.07Å; C242-L260 HydrophobicContact CB-CD2 4.31Å; C242-A264 HydrophobicContact CB-CB 4.2Å |
| 243 | I | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -78.7 | -41.8 | 178.9 | -64 | 166.4 | 0 | 0 | 0 | 111.8 | V239 M240 Y241 R261 A264 A265 L268 G306 | V239-I243 HydrophobicContact CG1-CD1 3.93Å; V239-I243 WeakPolarHBondContact O-CG1 3.31Å; V239-I243 PolarHBondContact O-N 2.88Å; M240-I243 PolarHBondContact O-N 2.79Å; M240-I243 HydrophobicContact SD-CD1 4.24Å; Y241-I243 VanDerWaalsContact C-N 3.28Å; Y241-I243 PolarHBondContact O-N 3.34Å; I243-R261 VanDerWaalsContact C-NH1 3.27Å; I243-R261 PolarHBondContact O-NH1 3.02Å; I243-A264 HydrophobicContact CD1-CB 4.21Å; I243-A264 HydrophobicContact CG1-CB 3.51Å; I243-A265 HydrophobicContact CD1-CB 4.39Å; I243-L268 HydrophobicContact CD1-CB 3.89Å; I243-L268 HydrophobicContact CD1-CD2 3.71Å; I243-L268 HydrophobicContact CD1-CG 4.37Å; I243-G306 WeakPolarHBondContact CG2-O 3.37Å; I243-G306 WeakPolarHBondContact O-CA 3.49Å |
| 244 | L | 95.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -108.6 | -30 | -164.5 | -67.9 | -175.9 | 0 | 0 | 0 | 114.8 | M240 Y241 L290 V293 S303 A307 | M240-L244 HydrophobicContact CE-CD1 3.49Å; M240-L244 VanDerWaalsContact CE-CD1 3.49Å; M240-L244 HydrophobicContact CE-CG 4.29Å; M240-L244 WeakPolarHBondContact O-CB 3.38Å; M240-L244 PolarHBondContact O-N 3.18Å; Y241-L244 PolarHBondContact O-N 3.4Å; L244-L290 HydrophobicContact CD1-CD2 4.32Å; L244-L290 HydrophobicContact CD2-CD2 3.97Å; L244-L290 HydrophobicContact CG-CD2 4.44Å; L244-V293 HydrophobicContact CD1-CG2 4.09Å; L244-V293 HydrophobicContact CD2-CB 4.44Å; L244-V293 HydrophobicContact CD2-CG2 4.05Å; L244-V293 HydrophobicContact CG-CG2 4.47Å; L244-S303 WeakPolarHBondContact O-CB 3.41Å; L244-S303 PolarHBondContact O-OG 2.84Å; L244-A307 HydrophobicContact CD2-CB 3.92Å |
| 245 | E | 93.2 | Very high | 90.7 | Very high | 70 Ų | 70 | 40.9 Ų | 40.9 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -82.2 | 149.1 | -172.2 | -65.9 | -64.4 | 134.9 | 0 | 0 | 111.6 | Y241 L247 R261 R299 | Y241-E245 HydrophobicContact CD2-CB 3.89Å; Y241-E245 HydrophobicContact CD2-CG 3.43Å; Y241-E245 VanDerWaalsContact CD2-CG 3.43Å; Y241-E245 HydrophobicContact CE2-CB 3.74Å; Y241-E245 HydrophobicContact CE2-CG 3.6Å; Y241-E245 HydrophobicContact CG-CB 4.39Å; Y241-E245 HydrophobicContact CG-CG 4.18Å; Y241-E245 WeakPolarHBondContact O-CB 3.36Å; Y241-E245 PolarHBondContact O-N 2.89Å; E245-L247 PolarHBondContact O-N 3.32Å; E245-L247 VanDerWaalsContact O-N 3.14Å; E245-R261 PolarHBondContact O-NH1 2.84Å; E245-R261 PolarHBondContact O-NH2 2.93Å; E245-R299 IonicContact OE1-NH1 3.42Å |
| 246 | P | 88.9 | Confident | 90.4 | Very high | 65 Ų | 65 | 44.6 Ų | 44.6 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | trans | -71.7 | 103.9 | 170.2 | 28 | -30.4 | 0 | 0 | 0 | 108.9 | P300 | P246-P300 HydrophobicContact CB-CG 3.89Å; P246-P300 HydrophobicContact CG-CG 4.34Å | ||
| 247 | L | 89.3 | Confident | 90.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -72.5 | 142.1 | 179.9 | -59 | 172.6 | 0 | 0 | 0 | 109.2 | L210 Y241 E245 A249 S250 L260 | L210-L247 HydrophobicContact CD1-CD1 3.84Å; L210-L247 HydrophobicContact CD1-CD2 4.01Å; L210-L247 HydrophobicContact CD1-CG 4.44Å; Y241-L247 HydrophobicContact CD1-CD2 4.41Å; Y241-L247 HydrophobicContact CE1-CD2 3.89Å; E245-L247 PolarHBondContact O-N 3.32Å; E245-L247 VanDerWaalsContact O-N 3.14Å; L247-A249 HydrophobicContact CB-CB 4.49Å; L247-A249 PolarHBondContact O-N 3.49Å; L247-A249 VanDerWaalsContact O-N 3.16Å; L247-S250 PolarHBondContact N-OG 2.72Å; L247-S250 WeakPolarHBondContact O-CB 3.35Å; L247-S250 PolarHBondContact O-N 2.99Å; L247-S250 PolarHBondContact O-OG 3.04Å; L247-L260 HydrophobicContact CD1-CD2 3.64Å | ||
| 248 | A | 84.4 | Confident | 90.2 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -57.3 | -32.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S204 H205 S250 I251 | S204-A248 PolarHBondContact O-N 3.36Å; S204-A248 VanDerWaalsContact O-N 3.11Å; H205-A248 HydrophobicContact CB-CB 4.03Å; A248-S250 PolarHBondContact O-N 2.94Å; A248-I251 WeakPolarHBondContact O-CB 3.27Å; A248-I251 WeakPolarHBondContact O-CG1 3.42Å; A248-I251 PolarHBondContact O-N 2.95Å |
| 249 | A | 82.9 | Confident | 90.1 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -59.7 | -27.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | S204 L207 L247 I251 N252 N255 | S204-A249 PolarHBondContact O-N 3.1Å; S204-A249 VanDerWaalsContact O-N 3.08Å; L207-A249 HydrophobicContact CB-CB 4.3Å; L247-A249 HydrophobicContact CB-CB 4.49Å; L247-A249 PolarHBondContact O-N 3.49Å; L247-A249 VanDerWaalsContact O-N 3.16Å; A249-I251 VanDerWaalsContact C-N 3.27Å; A249-I251 PolarHBondContact O-N 3.1Å; A249-N252 PolarHBondContact O-N 3.29Å; A249-N255 VanDerWaalsContact O-CB 3.31Å; A249-N255 WeakPolarHBondContact O-CB 3.39Å; A249-N255 PolarHBondContact O-ND2 3.32Å |
| 250 | S | 83.8 | Confident | 90.1 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -76.2 | -10.6 | -179.8 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | L247 A248 N252 | L247-S250 PolarHBondContact N-OG 2.72Å; L247-S250 WeakPolarHBondContact O-CB 3.35Å; L247-S250 PolarHBondContact O-N 2.99Å; L247-S250 PolarHBondContact O-OG 3.04Å; A248-S250 PolarHBondContact O-N 2.94Å; S250-N252 PolarHBondContact O-N 3.08Å |
| 251 | I | 83.3 | Confident | 90.1 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 71% | 0.713 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -68.3 | -29.6 | 175.1 | -60.3 | 172.2 | 0 | 0 | 0 | 110.5 | A248 A249 P253 | A248-I251 WeakPolarHBondContact O-CB 3.27Å; A248-I251 WeakPolarHBondContact O-CG1 3.42Å; A248-I251 PolarHBondContact O-N 2.95Å; A249-I251 VanDerWaalsContact C-N 3.27Å; A249-I251 PolarHBondContact O-N 3.1Å; I251-P253 WeakPolarHBondContact O-CD 3.23Å |
| 252 | N | 85.2 | Confident | 90.1 | Very high | 69 Ų | 69 | 46 Ų | 46 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -88.8 | 115.2 | 177.7 | -176 | -0.6 | 0 | 0 | 0 | 110.4 | A249 S250 L254 N255 | A249-N252 PolarHBondContact O-N 3.29Å; S250-N252 PolarHBondContact O-N 3.08Å; N252-L254 PolarHBondContact O-N 3.3Å; N252-L254 VanDerWaalsContact O-N 3.11Å; N252-L254 WeakPolarHBondContact OD1-CB 3.31Å; N252-L254 PolarHBondContact OD1-N 3.32Å; N252-L254 VanDerWaalsContact OD1-N 3.14Å; N252-N255 WeakPolarHBondContact O-CB 3.48Å; N252-N255 PolarHBondContact O-N 2.99Å |
| 253 | P | 81.1 | Confident | 90.2 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.4 | -179.7 | -23.1 | 34.5 | 0 | 0 | 0 | 114.4 | I251 N255 | I251-P253 WeakPolarHBondContact O-CD 3.23Å; P253-N255 VanDerWaalsContact C-N 3.27Å |
| 254 | L | 83.6 | Confident | 90.2 | Very high | 156 Ų | 156 | 48.2 Ų | 48.2 | 82% | 0.817 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.6 | 176.9 | -60.7 | 177.1 | 0 | 0 | 0 | 112.9 | N252 D256 | N252-L254 PolarHBondContact O-N 3.3Å; N252-L254 VanDerWaalsContact O-N 3.11Å; N252-L254 WeakPolarHBondContact OD1-CB 3.31Å; N252-L254 PolarHBondContact OD1-N 3.32Å; N252-L254 VanDerWaalsContact OD1-N 3.14Å; L254-D256 PolarHBondContact O-N 3.45Å |
| 255 | N | 88.6 | Confident | 90.4 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -82.5 | 118.9 | 179.8 | -72.4 | -14.9 | 0 | 0 | 0 | 110.4 | L207 A249 N252 P253 H257 | L207-N255 HydrophobicContact CD2-CB 4.48Å; A249-N255 VanDerWaalsContact O-CB 3.31Å; A249-N255 WeakPolarHBondContact O-CB 3.39Å; A249-N255 PolarHBondContact O-ND2 3.32Å; N252-N255 WeakPolarHBondContact O-CB 3.48Å; N252-N255 PolarHBondContact O-N 2.99Å; P253-N255 VanDerWaalsContact C-N 3.27Å; N255-H257 PolarHBondContact O-N 2.65Å; N255-H257 PolarHBondContact O-ND1 2.9Å |
| 256 | D | 90.1 | Very high | 90.6 | Very high | 78 Ų | 78 | 49.7 Ų | 49.7 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | trans | -78.2 | 67 | 176.4 | -175.8 | 30.1 | 0 | 0 | 0 | 112.3 | L207 L254 W258 T259 | L207-D256 WeakPolarHBondContact CD2-O 3.42Å; L254-D256 PolarHBondContact O-N 3.45Å; D256-W258 PolarHBondContact O-N 3.39Å; D256-T259 PolarHBondContact O-OG1 3.44Å; D256-T259 VanDerWaalsContact O-OG1 3.04Å; D256-T259 WeakPolarHBondContact OD2-CB 3.48Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.18Å; D256-T259 PolarHBondContact OD2-OG1 3.45Å | ||
| 257 | H | 92 | Very high | 91 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.5 | -10 | 177.4 | 64 | -77 | 0 | 0 | 0 | 113.3 | L207 N255 R261 | L207-H257 HydrophobicContact CD1-CB 4.2Å; N255-H257 PolarHBondContact O-N 2.65Å; N255-H257 PolarHBondContact O-ND1 2.9Å; H257-R261 WeakPolarHBondContact O-CG 3.36Å; H257-R261 PolarHBondContact O-N 3.28Å |
| 258 | W | 94.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 46.8 Ų | 46.8 | 9% | 0.087 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.4 | -46 | 178.7 | -52.8 | 101.3 | 0 | 0 | 0 | 111.5 | D256 L260 R261 D262 C302 Y305 D351 K354 | D256-W258 PolarHBondContact O-N 3.39Å; W258-L260 VanDerWaalsContact C-N 3.29Å; W258-L260 PolarHBondContact O-N 2.76Å; W258-R261 WeakPolarHBondContact O-CB 3.31Å; W258-R261 PolarHBondContact O-N 3.03Å; W258-R261 VanDerWaalsContact O-N 3.08Å; W258-D262 PolarHBondContact O-N 3.41Å; W258-C302 HydrophobicContact CH2-CB 4.15Å; W258-C302 HydrophobicContact CZ3-CB 4.28Å; W258-Y305 AromaticContact CE3-CD1 3.59Å; W258-Y305 HydrophobicContact CE3-CD1 3.59Å; W258-Y305 AromaticContact CE3-CD2 3.94Å; W258-Y305 HydrophobicContact CE3-CD2 3.94Å; W258-Y305 AromaticContact CE3-CE1 3.9Å; W258-Y305 HydrophobicContact CE3-CE1 3.9Å; W258-Y305 HydrophobicContact CE3-CE2 4.2Å; W258-Y305 AromaticContact CE3-CG 3.62Å; W258-Y305 HydrophobicContact CE3-CG 3.62Å; W258-Y305 AromaticContact CZ3-CD1 3.95Å; W258-Y305 HydrophobicContact CZ3-CD1 3.95Å; W258-Y305 AromaticContact CZ3-CD2 3.94Å; W258-Y305 HydrophobicContact CZ3-CD2 3.94Å; W258-Y305 AromaticContact CZ3-CG 3.56Å; W258-Y305 HydrophobicContact CZ3-CG 3.56Å; W258-D351 HydrophobicContact CH2-CB 4.05Å; W258-D351 HydrophobicContact CZ2-CB 4.25Å; W258-D351 WeakPolarHBondContact CZ2-OD1 3.35Å; W258-K354 HydrophobicContact CD2-CG 4.43Å; W258-K354 HydrophobicContact CE3-CB 4.33Å; W258-K354 HydrophobicContact CH2-CB 4.2Å; W258-K354 HydrophobicContact CH2-CG 4.39Å; W258-K354 HydrophobicContact CZ2-CG 4.25Å; W258-K354 HydrophobicContact CZ3-CB 4.08Å |
| 259 | T | 95.1 | Very high | 91.9 | Very high | 76 Ų | 76 | 45.3 Ų | 45.3 | 47% | 0.466 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -33.8 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | D256 D262 Y263 | D256-T259 PolarHBondContact O-OG1 3.44Å; D256-T259 VanDerWaalsContact O-OG1 3.04Å; D256-T259 WeakPolarHBondContact OD2-CB 3.48Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.18Å; D256-T259 PolarHBondContact OD2-OG1 3.45Å; T259-D262 PolarHBondContact O-N 3.28Å; T259-Y263 WeakPolarHBondContact O-CB 3.34Å; T259-Y263 PolarHBondContact O-N 3.16Å |
| 260 | L | 95.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 171.3 | -174.2 | 98.6 | 0 | 0 | 0 | 111.4 | L207 L210 N211 L214 C242 L247 W258 Y263 A264 | L207-L260 HydrophobicContact CD1-CB 3.83Å; L207-L260 HydrophobicContact CD1-CD1 4.01Å; L207-L260 HydrophobicContact CD1-CD2 3.82Å; L207-L260 HydrophobicContact CD1-CG 4.08Å; L210-L260 HydrophobicContact CB-CD1 4.01Å; L210-L260 HydrophobicContact CB-CD2 4.33Å; L210-L260 HydrophobicContact CD1-CD2 4.28Å; N211-L260 HydrophobicContact CB-CD1 3.78Å; L214-L260 HydrophobicContact CD1-CD1 3.82Å; L214-L260 HydrophobicContact CD1-CG 3.99Å; C242-L260 HydrophobicContact CB-CD2 4.31Å; L247-L260 HydrophobicContact CD1-CD2 3.64Å; W258-L260 VanDerWaalsContact C-N 3.29Å; W258-L260 PolarHBondContact O-N 2.76Å; L260-Y263 PolarHBondContact O-N 3.04Å; L260-A264 VanDerWaalsContact O-CB 3.26Å; L260-A264 WeakPolarHBondContact O-CB 3.41Å; L260-A264 PolarHBondContact O-N 3.41Å |
| 261 | R | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 178.7 | -68.9 | -178.4 | -167.1 | -87.2 | -3.6 | 111.5 | I243 E245 H257 W258 A264 A265 C302 Y305 | I243-R261 VanDerWaalsContact C-NH1 3.27Å; I243-R261 PolarHBondContact O-NH1 3.02Å; E245-R261 PolarHBondContact O-NH1 2.84Å; E245-R261 PolarHBondContact O-NH2 2.93Å; H257-R261 WeakPolarHBondContact O-CG 3.36Å; H257-R261 PolarHBondContact O-N 3.28Å; W258-R261 WeakPolarHBondContact O-CB 3.31Å; W258-R261 PolarHBondContact O-N 3.03Å; W258-R261 VanDerWaalsContact O-N 3.08Å; R261-A264 PolarHBondContact O-N 3.05Å; R261-A265 WeakPolarHBondContact O-CB 3.22Å; R261-A265 PolarHBondContact O-N 3.44Å; R261-C302 WeakPolarHBondContact CD-O 3.41Å; R261-C302 PolarHBondContact NE-O 3.5Å; R261-C302 PolarHBondContact NH1-O 3Å; R261-Y305 HydrophobicContact CB-CD1 4.36Å; R261-Y305 HydrophobicContact CB-CE1 4.29Å |
| 262 | D | 96.8 | Very high | 93.6 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 175.4 | -66.6 | -16.6 | 0 | 0 | 0 | 111.4 | W258 T259 A264 A265 L266 Y305 | W258-D262 PolarHBondContact O-N 3.41Å; T259-D262 PolarHBondContact O-N 3.28Å; D262-A264 PolarHBondContact O-N 3.38Å; D262-A265 PolarHBondContact O-N 3.15Å; D262-L266 WeakPolarHBondContact O-CG 3.38Å; D262-L266 PolarHBondContact O-N 3.48Å; D262-Y305 WeakPolarHBondContact OD1-CE1 3.13Å; D262-Y305 PolarHBondContact OD1-OH 3.39Å; D262-Y305 PolarHBondContact OD2-OH 3.36Å |
| 263 | Y | 97.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.4 | 179.8 | -111 | 0 | 0 | 0 | 111.9 | L214 H215 K218 T259 L260 A265 L266 L267 | L214-Y263 HydrophobicContact CB-CD1 3.93Å; L214-Y263 HydrophobicContact CB-CE1 3.59Å; L214-Y263 HydrophobicContact CD1-CD1 3.99Å; L214-Y263 HydrophobicContact CD1-CE1 4.5Å; H215-Y263 AromaticContact CE1-CE1 3.98Å; H215-Y263 AromaticContact CE1-CZ 3.67Å; H215-Y263 AromaticContact ND1-CE1 3.93Å; H215-Y263 AromaticContact ND1-CZ 3.56Å; H215-Y263 PolarHBondContact ND1-OH 3.05Å; K218-Y263 WeakPolarHBondContact CD-OH 3.45Å; T259-Y263 WeakPolarHBondContact O-CB 3.34Å; T259-Y263 PolarHBondContact O-N 3.16Å; L260-Y263 PolarHBondContact O-N 3.04Å; Y263-A265 PolarHBondContact O-N 2.83Å; Y263-L266 PolarHBondContact O-N 3.37Å; Y263-L267 HydrophobicContact CE1-CD2 4.5Å; Y263-L267 WeakPolarHBondContact O-CB 3.47Å; Y263-L267 PolarHBondContact O-N 3.35Å |
| 264 | A | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L214 V239 C242 I243 L260 R261 D262 L267 L268 | L214-A264 HydrophobicContact CD1-CB 3.85Å; L214-A264 HydrophobicContact CD2-CB 4.41Å; V239-A264 HydrophobicContact CG1-CB 4.18Å; V239-A264 WeakPolarHBondContact CG1-O 3.41Å; C242-A264 HydrophobicContact CB-CB 4.2Å; I243-A264 HydrophobicContact CD1-CB 4.21Å; I243-A264 HydrophobicContact CG1-CB 3.51Å; L260-A264 VanDerWaalsContact O-CB 3.26Å; L260-A264 WeakPolarHBondContact O-CB 3.41Å; L260-A264 PolarHBondContact O-N 3.41Å; R261-A264 PolarHBondContact O-N 3.05Å; D262-A264 PolarHBondContact O-N 3.38Å; A264-L267 PolarHBondContact O-N 3.28Å; A264-L268 WeakPolarHBondContact O-CB 3.17Å; A264-L268 PolarHBondContact O-N 3Å |
| 265 | A | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I243 R261 D262 Y263 L267 L268 S269 V309 A313 | I243-A265 HydrophobicContact CD1-CB 4.39Å; R261-A265 WeakPolarHBondContact O-CB 3.22Å; R261-A265 PolarHBondContact O-N 3.44Å; D262-A265 PolarHBondContact O-N 3.15Å; Y263-A265 PolarHBondContact O-N 2.83Å; A265-L267 VanDerWaalsContact C-N 3.33Å; A265-L268 WeakPolarHBondContact O-CB 3.33Å; A265-L268 PolarHBondContact O-N 2.8Å; A265-S269 PolarHBondContact O-N 2.96Å; A265-V309 HydrophobicContact CB-CB 4.4Å; A265-V309 HydrophobicContact CB-CG1 3.7Å; A265-A313 HydrophobicContact CB-CB 4.06Å; A265-A313 VanDerWaalsContact O-CB 3.31Å; A265-A313 WeakPolarHBondContact O-CB 3.28Å |
| 266 | L | 97.4 | Very high | 94.6 | Very high | 113 Ų | 113 | 34.4 Ų | 34.4 | 59% | 0.592 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -63.9 | -40.1 | 173.4 | -69.5 | 175.8 | 0 | 0 | 0 | 111.8 | D262 Y263 S269 H270 A313 | D262-L266 WeakPolarHBondContact O-CG 3.38Å; D262-L266 PolarHBondContact O-N 3.48Å; Y263-L266 PolarHBondContact O-N 3.37Å; L266-S269 WeakPolarHBondContact O-CB 3.29Å; L266-S269 PolarHBondContact O-N 3.13Å; L266-H270 PolarHBondContact O-N 3.38Å; L266-A313 HydrophobicContact CD2-CB 4.47Å |
| 267 | L | 97.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 176.2 | -178.3 | 58.7 | 0 | 0 | 0 | 112 | L214 V217 K218 V239 Y263 A264 A265 S269 H270 I271 | L214-L267 HydrophobicContact CB-CD2 4.15Å; L214-L267 HydrophobicContact CD2-CD2 4.19Å; L214-L267 VanDerWaalsContact O-CD2 3.32Å; L214-L267 WeakPolarHBondContact O-CD2 3.36Å; V217-L267 HydrophobicContact CB-CD2 3.97Å; V217-L267 HydrophobicContact CG1-CD1 4.46Å; V217-L267 HydrophobicContact CG1-CD2 3.83Å; V217-L267 HydrophobicContact CG1-CG 4.3Å; K218-L267 HydrophobicContact CB-CD1 3.84Å; K218-L267 HydrophobicContact CG-CD1 4.33Å; V239-L267 HydrophobicContact CG2-CD2 4.22Å; Y263-L267 HydrophobicContact CE1-CD2 4.5Å; Y263-L267 WeakPolarHBondContact O-CB 3.47Å; Y263-L267 PolarHBondContact O-N 3.35Å; A264-L267 PolarHBondContact O-N 3.28Å; A265-L267 VanDerWaalsContact C-N 3.33Å; L267-S269 VanDerWaalsContact C-N 3.32Å; L267-S269 PolarHBondContact O-N 3.09Å; L267-H270 WeakPolarHBondContact O-CB 3.42Å; L267-H270 PolarHBondContact O-N 3.38Å; L267-I271 HydrophobicContact CD1-CD1 4.46Å; L267-I271 HydrophobicContact CD1-CG1 4.46Å; L267-I271 HydrophobicContact CG-CD1 4.14Å; L267-I271 VanDerWaalsContact O-CG1 3.31Å; L267-I271 WeakPolarHBondContact O-CG1 3.39Å; L267-I271 PolarHBondContact O-N 3.06Å |
| 268 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | 173.3 | 176.9 | 69 | 0 | 0 | 0 | 110.8 | V236 V239 M240 I243 A264 A265 H270 I271 F272 I286 | V236-L268 HydrophobicContact CG1-CD1 3.83Å; V236-L268 HydrophobicContact CG2-CD1 4.4Å; V239-L268 HydrophobicContact CG1-CB 3.9Å; M240-L268 HydrophobicContact CG-CD1 4.15Å; M240-L268 HydrophobicContact CG-CD2 4.48Å; M240-L268 HydrophobicContact SD-CD1 4.16Å; M240-L268 HydrophobicContact SD-CD2 3.45Å; M240-L268 WeakPolarHBondContact SD-CD2 3.24Å; M240-L268 HydrophobicContact SD-CG 4.45Å; I243-L268 HydrophobicContact CD1-CB 3.89Å; I243-L268 HydrophobicContact CD1-CD2 3.71Å; I243-L268 HydrophobicContact CD1-CG 4.37Å; A264-L268 WeakPolarHBondContact O-CB 3.17Å; A264-L268 PolarHBondContact O-N 3Å; A265-L268 WeakPolarHBondContact O-CB 3.33Å; A265-L268 PolarHBondContact O-N 2.8Å; L268-H270 VanDerWaalsContact C-N 3.34Å; L268-H270 PolarHBondContact O-N 2.8Å; L268-I271 PolarHBondContact O-N 2.96Å; L268-F272 WeakPolarHBondContact O-CB 3.25Å; L268-F272 PolarHBondContact O-N 2.97Å; L268-I286 HydrophobicContact CD1-CD1 4.09Å; L268-I286 HydrophobicContact CD2-CG2 4.05Å |
| 269 | S | 96.1 | Very high | 93.5 | Very high | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | A265 L266 L267 I271 F272 W273 A313 | A265-S269 PolarHBondContact O-N 2.96Å; L266-S269 WeakPolarHBondContact O-CB 3.29Å; L266-S269 PolarHBondContact O-N 3.13Å; L267-S269 VanDerWaalsContact C-N 3.32Å; L267-S269 PolarHBondContact O-N 3.09Å; S269-I271 PolarHBondContact O-N 3.39Å; S269-F272 PolarHBondContact O-N 3.38Å; S269-W273 PolarHBondContact O-N 3.46Å; S269-W273 VanDerWaalsContact OG-CD1 3.3Å; S269-W273 PolarHBondContact OG-NE1 3.03Å; S269-A313 VanDerWaalsContact CB-O 3.25Å; S269-A313 WeakPolarHBondContact CB-O 3.33Å; S269-A313 PolarHBondContact OG-O 3.1Å |
| 270 | H | 95.8 | Very high | 93 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 177.6 | -172.3 | 55.4 | 0 | 0 | 0 | 112.7 | Q222 L266 L267 L268 F272 W273 T274 | Q222-H270 PolarHBondContact NE2-NE2 3.37Å; L266-H270 PolarHBondContact O-N 3.38Å; L267-H270 WeakPolarHBondContact O-CB 3.42Å; L267-H270 PolarHBondContact O-N 3.38Å; L268-H270 VanDerWaalsContact C-N 3.34Å; L268-H270 PolarHBondContact O-N 2.8Å; H270-F272 VanDerWaalsContact C-N 3.35Å; H270-F272 PolarHBondContact O-N 2.9Å; H270-W273 PolarHBondContact O-N 2.95Å; H270-T274 WeakPolarHBondContact O-CB 3.38Å; H270-T274 WeakPolarHBondContact O-CG2 3.49Å; H270-T274 PolarHBondContact O-N 3.38Å; H270-T274 VanDerWaalsContact O-N 3.1Å; H270-T274 PolarHBondContact O-OG1 3.28Å |
| 271 | I | 95.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.5 | -66.5 | 164.4 | 0 | 0 | 0 | 110.5 | V217 V221 V232 V236 V239 L267 L268 S269 W273 T274 H275 | V217-I271 HydrophobicContact CG1-CD1 3.82Å; V221-I271 HydrophobicContact CG1-CG1 4.14Å; V221-I271 HydrophobicContact CG2-CD1 4.34Å; V221-I271 HydrophobicContact CG2-CG1 3.8Å; V232-I271 HydrophobicContact CG1-CG2 4.16Å; V236-I271 HydrophobicContact CG2-CG2 3.76Å; V239-I271 HydrophobicContact CG2-CD1 3.99Å; L267-I271 HydrophobicContact CD1-CD1 4.46Å; L267-I271 HydrophobicContact CD1-CG1 4.46Å; L267-I271 HydrophobicContact CG-CD1 4.14Å; L267-I271 VanDerWaalsContact O-CG1 3.31Å; L267-I271 WeakPolarHBondContact O-CG1 3.39Å; L267-I271 PolarHBondContact O-N 3.06Å; L268-I271 PolarHBondContact O-N 2.96Å; S269-I271 PolarHBondContact O-N 3.39Å; I271-W273 PolarHBondContact O-N 3.15Å; I271-T274 PolarHBondContact O-N 2.92Å; I271-T274 PolarHBondContact O-OG1 2.85Å; I271-H275 PolarHBondContact O-N 3.48Å |
| 272 | F | 93.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 179.6 | 173.6 | -105.9 | 0 | 0 | 0 | 112 | L268 S269 H270 T274 G276 Y283 L314 P403 | L268-F272 WeakPolarHBondContact O-CB 3.25Å; L268-F272 PolarHBondContact O-N 2.97Å; S269-F272 PolarHBondContact O-N 3.38Å; H270-F272 VanDerWaalsContact C-N 3.35Å; H270-F272 PolarHBondContact O-N 2.9Å; F272-T274 VanDerWaalsContact C-N 3.33Å; F272-T274 PolarHBondContact O-N 3.47Å; F272-G276 WeakPolarHBondContact O-CA 3.4Å; F272-G276 PolarHBondContact O-N 3.3Å; F272-Y283 HydrophobicContact CD2-CD2 4.39Å; F272-Y283 AromaticContact CE1-CD2 3.87Å; F272-Y283 HydrophobicContact CE1-CD2 3.87Å; F272-Y283 HydrophobicContact CE1-CE2 4.27Å; F272-Y283 AromaticContact CE2-CD2 3.65Å; F272-Y283 HydrophobicContact CE2-CD2 3.65Å; F272-Y283 HydrophobicContact CE2-CG 4.02Å; F272-Y283 AromaticContact CZ-CD2 3.33Å; F272-Y283 HydrophobicContact CZ-CD2 3.33Å; F272-Y283 HydrophobicContact CZ-CE2 4.12Å; F272-Y283 AromaticContact CZ-CG 3.87Å; F272-Y283 HydrophobicContact CZ-CG 3.87Å; F272-L314 HydrophobicContact CB-CD2 4.33Å; F272-L314 HydrophobicContact CD1-CD2 4.21Å; F272-L314 HydrophobicContact CG-CD2 4.25Å; F272-P403 HydrophobicContact CE1-CB 4.25Å; F272-P403 HydrophobicContact CE1-CG 4.09Å; F272-P403 HydrophobicContact CZ-CB 4.1Å; F272-P403 HydrophobicContact CZ-CG 3.99Å |
| 273 | W | 91.8 | Very high | 92.2 | Very high | 104 Ų | 104 | 42.8 Ų | 42.8 | 39% | 0.394 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -74.5 | -21.4 | -177.7 | -69.8 | 116.3 | 0 | 0 | 0 | 114.8 | S269 H270 I271 L401 P403 | S269-W273 PolarHBondContact O-N 3.46Å; S269-W273 VanDerWaalsContact OG-CD1 3.3Å; S269-W273 PolarHBondContact OG-NE1 3.03Å; H270-W273 PolarHBondContact O-N 2.95Å; I271-W273 PolarHBondContact O-N 3.15Å; W273-L401 WeakPolarHBondContact CH2-O 3.5Å; W273-L401 WeakPolarHBondContact CZ2-O 3.37Å; W273-P403 HydrophobicContact CH2-CB 3.99Å; W273-P403 HydrophobicContact CH2-CG 4.05Å; W273-P403 HydrophobicContact CZ3-CB 3.76Å; W273-P403 HydrophobicContact CZ3-CG 4.33Å |
| 274 | T | 91.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -96.8 | -37 | -177.9 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | H270 I271 F272 | H270-T274 WeakPolarHBondContact O-CB 3.38Å; H270-T274 WeakPolarHBondContact O-CG2 3.49Å; H270-T274 PolarHBondContact O-N 3.38Å; H270-T274 VanDerWaalsContact O-N 3.1Å; H270-T274 PolarHBondContact O-OG1 3.28Å; I271-T274 PolarHBondContact O-N 2.92Å; I271-T274 PolarHBondContact O-OG1 2.85Å; F272-T274 VanDerWaalsContact C-N 3.33Å; F272-T274 PolarHBondContact O-N 3.47Å |
| 275 | H | 89.4 | Confident | 91.7 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -129 | 6.7 | -172 | -63.7 | -80.3 | 0 | 0 | 0 | 113.4 | V221 V232 I271 D277 L278 | V221-H275 PolarHBondContact O-NE2 2.94Å; V232-H275 HydrophobicContact CG2-CB 3.93Å; I271-H275 PolarHBondContact O-N 3.48Å; H275-D277 VanDerWaalsContact C-N 3.32Å; H275-D277 PolarHBondContact O-N 3.27Å; H275-L278 HydrophobicContact CB-CD1 4.02Å; H275-L278 WeakPolarHBondContact O-CB 3.34Å; H275-L278 PolarHBondContact O-N 3.16Å |
| 276 | G | 85.8 | Confident | 91.6 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -62.2 | -35.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | F272 L278 V279 | F272-G276 WeakPolarHBondContact O-CA 3.4Å; F272-G276 PolarHBondContact O-N 3.3Å; G276-L278 PolarHBondContact O-N 2.95Å; G276-L278 VanDerWaalsContact O-N 3.12Å; G276-V279 PolarHBondContact O-N 2.9Å; G276-V279 VanDerWaalsContact O-N 3.11Å |
| 277 | D | 85 | Confident | 91.4 | Very high | 160 Ų | 160 | 43.4 Ų | 43.4 | 86% | 0.856 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -64.6 | -17.1 | 179.7 | -60.9 | -27.3 | 0 | 0 | 0 | 113.1 | H275 V279 | H275-D277 VanDerWaalsContact C-N 3.32Å; H275-D277 PolarHBondContact O-N 3.27Å; D277-V279 VanDerWaalsContact C-N 3.27Å; D277-V279 PolarHBondContact O-N 2.99Å |
| 278 | L | 83.4 | Confident | 91.3 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 38% | 0.377 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -74.9 | -18 | 177.9 | -56.8 | 178.7 | 0 | 0 | 0 | 112.7 | Y227 V232 H275 G276 | Y227-L278 HydrophobicContact CE2-CD1 4.4Å; Y227-L278 HydrophobicContact CE2-CD2 4.15Å; V232-L278 HydrophobicContact CG2-CD1 4.33Å; H275-L278 HydrophobicContact CB-CD1 4.02Å; H275-L278 WeakPolarHBondContact O-CB 3.34Å; H275-L278 PolarHBondContact O-N 3.16Å; G276-L278 PolarHBondContact O-N 2.95Å; G276-L278 VanDerWaalsContact O-N 3.12Å |
| 279 | V | 84.9 | Confident | 91.2 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -130.5 | 106.8 | -175.4 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | V232 G276 D277 G281 L282 | V232-V279 HydrophobicContact CB-CG2 3.94Å; V232-V279 HydrophobicContact CG1-CG2 4.15Å; G276-V279 PolarHBondContact O-N 2.9Å; G276-V279 VanDerWaalsContact O-N 3.11Å; D277-V279 VanDerWaalsContact C-N 3.27Å; D277-V279 PolarHBondContact O-N 2.99Å; V279-G281 PolarHBondContact O-N 3.2Å; V279-L282 HydrophobicContact CB-CB 4.05Å; V279-L282 HydrophobicContact CB-CD2 4.43Å; V279-L282 HydrophobicContact CG1-CB 4.06Å; V279-L282 HydrophobicContact CG1-CD1 4.47Å; V279-L282 WeakPolarHBondContact O-CB 3.32Å; V279-L282 PolarHBondContact O-N 3Å |
| 280 | S | 86.1 | Confident | 91.2 | Very high | 112 Ų | 112 | 48 Ų | 48 | 78% | 0.783 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 137.1 | 175.1 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | L282 | S280-L282 PolarHBondContact O-N 3.48Š|
| 281 | G | 87.6 | Confident | 91.2 | Very high | 26 Ų | 26 | 47 Ų | 47 | 27% | 0.268 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 8.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | V279 Y283 H284 Q285 E406 | V279-G281 PolarHBondContact O-N 3.2Å; G281-Y283 VanDerWaalsContact C-N 3.3Å; G281-Y283 PolarHBondContact O-N 2.95Å; G281-H284 PolarHBondContact O-N 3.25Å; G281-Q285 PolarHBondContact O-N 3.2Å; G281-E406 PolarHBondContact N-OE1 3.14Å |
| 282 | L | 91.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 179.1 | -178.1 | 66 | 0 | 0 | 0 | 111.7 | V232 V236 V279 S280 H284 Q285 I286 | V232-L282 HydrophobicContact CG1-CD2 3.94Å; V236-L282 HydrophobicContact CB-CD1 4.5Å; V236-L282 HydrophobicContact CG1-CD1 4.24Å; V236-L282 HydrophobicContact CG2-CD1 4.31Å; V236-L282 HydrophobicContact CG2-CD2 4.35Å; V279-L282 HydrophobicContact CB-CB 4.05Å; V279-L282 HydrophobicContact CB-CD2 4.43Å; V279-L282 HydrophobicContact CG1-CB 4.06Å; V279-L282 HydrophobicContact CG1-CD1 4.47Å; V279-L282 WeakPolarHBondContact O-CB 3.32Å; V279-L282 PolarHBondContact O-N 3Å; S280-L282 PolarHBondContact O-N 3.48Å; L282-H284 VanDerWaalsContact C-N 3.35Å; L282-H284 PolarHBondContact O-N 2.81Å; L282-Q285 PolarHBondContact O-N 2.85Å; L282-I286 HydrophobicContact CD1-CD1 4.21Å; L282-I286 HydrophobicContact CD1-CG1 4.43Å; L282-I286 HydrophobicContact CD2-CD1 4.47Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 HydrophobicContact CG-CG1 4.49Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.49Å; L282-I286 PolarHBondContact O-N 3.26Å |
| 283 | Y | 91.4 | Very high | 91.2 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 177.9 | -174.5 | -115.3 | 0 | 0 | 0 | 111.5 | F272 G281 Q285 I286 L287 | F272-Y283 HydrophobicContact CD2-CD2 4.39Å; F272-Y283 AromaticContact CE1-CD2 3.87Å; F272-Y283 HydrophobicContact CE1-CD2 3.87Å; F272-Y283 HydrophobicContact CE1-CE2 4.27Å; F272-Y283 AromaticContact CE2-CD2 3.65Å; F272-Y283 HydrophobicContact CE2-CD2 3.65Å; F272-Y283 HydrophobicContact CE2-CG 4.02Å; F272-Y283 AromaticContact CZ-CD2 3.33Å; F272-Y283 HydrophobicContact CZ-CD2 3.33Å; F272-Y283 HydrophobicContact CZ-CE2 4.12Å; F272-Y283 AromaticContact CZ-CG 3.87Å; F272-Y283 HydrophobicContact CZ-CG 3.87Å; G281-Y283 VanDerWaalsContact C-N 3.3Å; G281-Y283 PolarHBondContact O-N 2.95Å; Y283-Q285 PolarHBondContact O-N 3.34Å; Y283-I286 PolarHBondContact O-N 2.98Å; Y283-L287 HydrophobicContact CD1-CD1 3.94Å; Y283-L287 HydrophobicContact CD1-CG 4.44Å; Y283-L287 HydrophobicContact CE1-CD1 3.36Å; Y283-L287 HydrophobicContact CE1-CG 4.12Å; Y283-L287 HydrophobicContact CE2-CD1 4.33Å; Y283-L287 HydrophobicContact CE2-CD2 4.36Å; Y283-L287 HydrophobicContact CE2-CG 4.3Å; Y283-L287 WeakPolarHBondContact O-CG 3.35Å; Y283-L287 PolarHBondContact O-N 2.75Å |
| 284 | H | 91.5 | Very high | 91.3 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | -180 | -175 | 68.3 | 0 | 0 | 0 | 111.6 | G281 L282 I286 L287 L288 W429 | G281-H284 PolarHBondContact O-N 3.25Å; L282-H284 VanDerWaalsContact C-N 3.35Å; L282-H284 PolarHBondContact O-N 2.81Å; H284-I286 VanDerWaalsContact C-N 3.35Å; H284-I286 PolarHBondContact O-N 3.44Å; H284-L287 PolarHBondContact O-N 3.02Å; H284-L288 VanDerWaalsContact NE2-CD1 3.3Å; H284-L288 WeakPolarHBondContact NE2-CD1 3.33Å; H284-L288 WeakPolarHBondContact O-CB 3.48Å; H284-L288 WeakPolarHBondContact O-CG 3.07Å; H284-L288 PolarHBondContact O-N 2.79Å; H284-W429 AromaticContact CE1-CD2 3.83Å; H284-W429 AromaticContact CE1-CE2 3.61Å; H284-W429 AromaticContact CE1-NE1 3.71Å |
| 285 | Q | 94 | Very high | 91.3 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 177 | -172.8 | -179.5 | -5.9 | 0 | 0 | 112.6 | G281 L282 Y283 S289 | G281-Q285 PolarHBondContact O-N 3.2Å; L282-Q285 PolarHBondContact O-N 2.85Å; Y283-Q285 PolarHBondContact O-N 3.34Å; Q285-S289 PolarHBondContact O-N 3.43Å; Q285-S289 VanDerWaalsContact O-N 3.16Å; Q285-S289 PolarHBondContact O-OG 3.28Å |
| 286 | I | 95.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -49.7 | 176.2 | -67.1 | 166.4 | 0 | 0 | 0 | 109.9 | V236 M240 L268 L282 Y283 H284 L288 S289 L290 L314 | V236-I286 HydrophobicContact CG1-CD1 4.06Å; V236-I286 HydrophobicContact CG1-CG1 4.01Å; M240-I286 HydrophobicContact CE-CG2 4.32Å; M240-I286 HydrophobicContact SD-CG2 4.32Å; L268-I286 HydrophobicContact CD1-CD1 4.09Å; L268-I286 HydrophobicContact CD2-CG2 4.05Å; L282-I286 HydrophobicContact CD1-CD1 4.21Å; L282-I286 HydrophobicContact CD1-CG1 4.43Å; L282-I286 HydrophobicContact CD2-CD1 4.47Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 HydrophobicContact CG-CG1 4.49Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.49Å; L282-I286 PolarHBondContact O-N 3.26Å; Y283-I286 PolarHBondContact O-N 2.98Å; H284-I286 VanDerWaalsContact C-N 3.35Å; H284-I286 PolarHBondContact O-N 3.44Å; I286-L288 PolarHBondContact O-N 3.26Å; I286-S289 WeakPolarHBondContact O-CB 3.13Å; I286-S289 PolarHBondContact O-N 3Å; I286-S289 VanDerWaalsContact O-N 3.15Å; I286-L290 HydrophobicContact CG2-CD1 3.87Å; I286-L290 HydrophobicContact CG2-CG 4.37Å; I286-L290 WeakPolarHBondContact O-CG 3.47Å; I286-L290 PolarHBondContact O-N 3.21Å; I286-L314 HydrophobicContact CG2-CD1 3.66Å |
| 287 | L | 94.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 180 | -71.2 | -173 | 0 | 0 | 0 | 112.5 | Y283 H284 S289 L290 Q291 L311 L314 A318 V322 | Y283-L287 HydrophobicContact CD1-CD1 3.94Å; Y283-L287 HydrophobicContact CD1-CG 4.44Å; Y283-L287 HydrophobicContact CE1-CD1 3.36Å; Y283-L287 HydrophobicContact CE1-CG 4.12Å; Y283-L287 HydrophobicContact CE2-CD1 4.33Å; Y283-L287 HydrophobicContact CE2-CD2 4.36Å; Y283-L287 HydrophobicContact CE2-CG 4.3Å; Y283-L287 WeakPolarHBondContact O-CG 3.35Å; Y283-L287 PolarHBondContact O-N 2.75Å; H284-L287 PolarHBondContact O-N 3.02Å; L287-S289 VanDerWaalsContact C-N 3.28Å; L287-S289 PolarHBondContact O-N 3Å; L287-L290 PolarHBondContact O-N 3.3Å; L287-Q291 VanDerWaalsContact O-CB 3.31Å; L287-Q291 WeakPolarHBondContact O-CB 3.26Å; L287-Q291 PolarHBondContact O-N 3.01Å; L287-L311 HydrophobicContact CD2-CD2 3.75Å; L287-L314 HydrophobicContact CD2-CD1 4.07Å; L287-A318 HydrophobicContact CD2-CB 3.74Å; L287-V322 HydrophobicContact CB-CG2 4.3Å; L287-V322 HydrophobicContact CD1-CG2 4.4Å; L287-V322 HydrophobicContact CD2-CG2 4.14Å |
| 288 | L | 95.1 | Very high | 91.8 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 37% | 0.372 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 176.1 | -81.4 | 172.1 | 0 | 0 | 0 | 112.2 | H284 I286 Q291 K292 W429 | H284-L288 VanDerWaalsContact NE2-CD1 3.3Å; H284-L288 WeakPolarHBondContact NE2-CD1 3.33Å; H284-L288 WeakPolarHBondContact O-CB 3.48Å; H284-L288 WeakPolarHBondContact O-CG 3.07Å; H284-L288 PolarHBondContact O-N 2.79Å; I286-L288 PolarHBondContact O-N 3.26Å; L288-Q291 PolarHBondContact O-N 3.22Å; L288-K292 WeakPolarHBondContact O-CB 3.49Å; L288-K292 PolarHBondContact O-N 3.38Å; L288-W429 HydrophobicContact CD2-CH2 4.33Å; L288-W429 HydrophobicContact CD2-CZ2 3.43Å; L288-W429 VanDerWaalsContact CD2-CZ2 3.43Å; L288-W429 HydrophobicContact CG-CZ2 4.04Å |
| 289 | S | 95.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 179.5 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | Q285 I286 L287 | Q285-S289 PolarHBondContact O-N 3.43Å; Q285-S289 VanDerWaalsContact O-N 3.16Å; Q285-S289 PolarHBondContact O-OG 3.28Å; I286-S289 WeakPolarHBondContact O-CB 3.13Å; I286-S289 PolarHBondContact O-N 3Å; I286-S289 VanDerWaalsContact O-N 3.15Å; L287-S289 VanDerWaalsContact C-N 3.28Å; L287-S289 PolarHBondContact O-N 3Å |
| 290 | L | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 176.3 | -61.5 | 170.3 | 0 | 0 | 0 | 111.3 | M240 L244 I286 L287 K292 V293 L294 A307 L311 L314 | M240-L290 HydrophobicContact CE-CD2 3.89Å; M240-L290 HydrophobicContact CE-CG 4.09Å; M240-L290 HydrophobicContact SD-CD2 4.37Å; L244-L290 HydrophobicContact CD1-CD2 4.32Å; L244-L290 HydrophobicContact CD2-CD2 3.97Å; L244-L290 HydrophobicContact CG-CD2 4.44Å; I286-L290 HydrophobicContact CG2-CD1 3.87Å; I286-L290 HydrophobicContact CG2-CG 4.37Å; I286-L290 WeakPolarHBondContact O-CG 3.47Å; I286-L290 PolarHBondContact O-N 3.21Å; L287-L290 PolarHBondContact O-N 3.3Å; L290-K292 PolarHBondContact O-N 3.01Å; L290-V293 PolarHBondContact O-N 3.23Å; L290-L294 PolarHBondContact O-N 2.87Å; L290-A307 HydrophobicContact CD2-CB 4.48Å; L290-L311 HydrophobicContact CB-CD2 4.04Å; L290-L311 HydrophobicContact CB-CG 4.11Å; L290-L311 HydrophobicContact CD1-CD2 3.64Å; L290-L311 HydrophobicContact CD1-CG 3.89Å; L290-L311 HydrophobicContact CG-CD2 4.48Å; L290-L314 HydrophobicContact CD1-CD1 3.6Å |
| 291 | Q | 95.4 | Very high | 93 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 176.7 | -178.3 | -178.4 | -14.8 | 0 | 0 | 111.7 | L287 L288 V293 L294 S295 V322 H326 | L287-Q291 VanDerWaalsContact O-CB 3.31Å; L287-Q291 WeakPolarHBondContact O-CB 3.26Å; L287-Q291 PolarHBondContact O-N 3.01Å; L288-Q291 PolarHBondContact O-N 3.22Å; Q291-V293 PolarHBondContact O-N 3.17Å; Q291-L294 PolarHBondContact O-N 3.02Å; Q291-S295 PolarHBondContact O-N 3.29Å; Q291-S295 PolarHBondContact O-OG 3.47Å; Q291-V322 HydrophobicContact CB-CG1 3.64Å; Q291-V322 HydrophobicContact CG-CG1 4.01Å; Q291-H326 PolarHBondContact NE2-NE2 3.32Å |
| 292 | K | 95.3 | Very high | 93.2 | Very high | 147 Ų | 147 | 48.4 Ų | 48.4 | 64% | 0.639 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -56.1 | -35.3 | -179.2 | -176.9 | 176.9 | 179.9 | 177.8 | 0 | 112.4 | L288 L290 | L288-K292 WeakPolarHBondContact O-CB 3.49Å; L288-K292 PolarHBondContact O-N 3.38Å; L290-K292 PolarHBondContact O-N 3.01Å |
| 293 | V | 94.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.3 | -39.9 | 176.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L244 L290 Q291 S295 D296 H304 A307 | L244-V293 HydrophobicContact CD1-CG2 4.09Å; L244-V293 HydrophobicContact CD2-CB 4.44Å; L244-V293 HydrophobicContact CD2-CG2 4.05Å; L244-V293 HydrophobicContact CG-CG2 4.47Å; L290-V293 PolarHBondContact O-N 3.23Å; Q291-V293 PolarHBondContact O-N 3.17Å; V293-S295 VanDerWaalsContact C-N 3.3Å; V293-S295 PolarHBondContact O-N 3.08Å; V293-D296 PolarHBondContact O-N 2.99Å; V293-H304 PolarHBondContact O-CE1 3.36Å; V293-H304 PolarHBondContact O-ND1 3.42Å; V293-A307 HydrophobicContact CB-CB 4.13Å; V293-A307 HydrophobicContact CG1-CB 4.05Å |
| 294 | L | 92.9 | Very high | 93.6 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -31.9 | 177.1 | -65.5 | 177.5 | 0 | 0 | 0 | 113.1 | L290 Q291 D296 A307 V308 L311 V322 L323 | L290-L294 PolarHBondContact O-N 2.87Å; Q291-L294 PolarHBondContact O-N 3.02Å; L294-D296 VanDerWaalsContact C-N 3.33Å; L294-A307 HydrophobicContact CD2-CB 3.96Å; L294-A307 HydrophobicContact CG-CB 4.07Å; L294-V308 HydrophobicContact CD2-CG2 4Å; L294-L311 HydrophobicContact CD1-CD1 3.65Å; L294-V322 HydrophobicContact CD1-CG1 4.33Å; L294-L323 HydrophobicContact CD1-CD1 3.86Å |
| 295 | S | 92.7 | Very high | 93.9 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 46% | 0.462 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.8 | 179.8 | -54.7 | 0 | 0 | 0 | 0 | 114.5 | Q291 V293 P297 | Q291-S295 PolarHBondContact O-N 3.29Å; Q291-S295 PolarHBondContact O-OG 3.47Å; V293-S295 VanDerWaalsContact C-N 3.3Å; V293-S295 PolarHBondContact O-N 3.08Å; S295-P297 WeakPolarHBondContact O-CD 3.32Å |
| 296 | D | 92.2 | Very high | 94 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | trans | -105.7 | 97.4 | -176.9 | -178.8 | -1.2 | 0 | 0 | 0 | 110.6 | V293 L294 V298 R299 H304 | V293-D296 PolarHBondContact O-N 2.99Å; L294-D296 VanDerWaalsContact C-N 3.33Å; D296-V298 PolarHBondContact O-N 3.12Å; D296-V298 WeakPolarHBondContact OD1-CB 3.41Å; D296-V298 PolarHBondContact OD1-N 3.43Å; D296-V298 VanDerWaalsContact OD1-N 3.15Å; D296-R299 HydrophobicContact CB-CG 3.83Å; D296-R299 WeakPolarHBondContact O-CB 3.4Å; D296-R299 PolarHBondContact O-N 3.34Å; D296-R299 VanDerWaalsContact OD2-CG 3.31Å; D296-R299 WeakPolarHBondContact OD2-CG 3.33Å; D296-R299 IonicContact OD2-NE 2.67Å; D296-H304 PolarHBondContact O-CE1 3.3Å; D296-H304 PolarHBondContact O-NE2 3.01Å | ||
| 297 | P | 87.6 | Confident | 94.1 | Very high | 81 Ų | 81 | 40 Ų | 40 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -9 | -175.7 | 30.9 | -36.8 | 0 | 0 | 0 | 113.8 | S295 R299 | S295-P297 WeakPolarHBondContact O-CD 3.32Å; P297-R299 VanDerWaalsContact C-N 3.35Å |
| 298 | V | 90.9 | Very high | 94.2 | Very high | 130 Ų | 130 | 39.9 Ų | 39.9 | 79% | 0.788 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.8 | 179.4 | -174 | 0 | 0 | 0 | 0 | 111.1 | D296 | D296-V298 PolarHBondContact O-N 3.12Å; D296-V298 WeakPolarHBondContact OD1-CB 3.41Å; D296-V298 PolarHBondContact OD1-N 3.43Å; D296-V298 VanDerWaalsContact OD1-N 3.15Å |
| 299 | R | 92.4 | Very high | 94.3 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 25% | 0.249 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -64.4 | 148.7 | 176.6 | -72.1 | -91.5 | -174.8 | 146.9 | -6.2 | 110.7 | E245 D296 P297 H304 | E245-R299 IonicContact OE1-NH1 3.42Å; D296-R299 HydrophobicContact CB-CG 3.83Å; D296-R299 WeakPolarHBondContact O-CB 3.4Å; D296-R299 PolarHBondContact O-N 3.34Å; D296-R299 VanDerWaalsContact OD2-CG 3.31Å; D296-R299 WeakPolarHBondContact OD2-CG 3.33Å; D296-R299 IonicContact OD2-NE 2.67Å; P297-R299 VanDerWaalsContact C-N 3.35Å; R299-H304 PolarHBondContact O-CD2 3.18Å; R299-H304 PolarHBondContact O-NE2 2.99Å |
| 300 | P | 92.7 | Very high | 94.4 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 36% | 0.357 | 19% | 0.191 | S | C | . | . | trans | -68.3 | 150.2 | 177.3 | 26 | -30.7 | 0 | 0 | 0 | 111.7 | P246 C302 S303 H304 | P246-P300 HydrophobicContact CB-CG 3.89Å; P246-P300 HydrophobicContact CG-CG 4.34Å; P300-C302 PolarHBondContact O-N 3.15Å; P300-C302 VanDerWaalsContact O-N 3.13Å; P300-S303 VanDerWaalsContact O-CB 3.31Å; P300-S303 WeakPolarHBondContact O-CB 3.45Å; P300-S303 PolarHBondContact O-N 2.83Å; P300-H304 PolarHBondContact O-CD2 3.39Å; P300-H304 VanDerWaalsContact O-CD2 3.31Å; P300-H304 PolarHBondContact O-N 3Å | ||
| 301 | L | 93.3 | Very high | 94.5 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.3 | -29.3 | -177.3 | -68.4 | 170.4 | 0 | 0 | 0 | 113.5 | S303 H304 Y305 V337 V348 D351 V355 | L301-S303 VanDerWaalsContact C-N 3.31Å; L301-S303 PolarHBondContact O-N 2.84Å; L301-H304 PolarHBondContact O-N 3.35Å; L301-Y305 WeakPolarHBondContact O-CB 3.41Å; L301-Y305 PolarHBondContact O-N 3.29Å; L301-V337 HydrophobicContact CD1-CG1 4.16Å; L301-V348 HydrophobicContact CD1-CG1 3.7Å; L301-V348 WeakPolarHBondContact CD1-O 3.49Å; L301-D351 HydrophobicContact CB-CB 4.05Å; L301-D351 HydrophobicContact CD1-CB 3.96Å; L301-V355 HydrophobicContact CB-CG2 4.14Å; L301-V355 HydrophobicContact CD2-CG2 4.36Å; L301-V355 WeakPolarHBondContact O-CG2 3.28Å |
| 302 | C | 93.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -33.6 | 174.7 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | W258 R261 P300 G306 | W258-C302 HydrophobicContact CH2-CB 4.15Å; W258-C302 HydrophobicContact CZ3-CB 4.28Å; R261-C302 WeakPolarHBondContact CD-O 3.41Å; R261-C302 PolarHBondContact NE-O 3.5Å; R261-C302 PolarHBondContact NH1-O 3Å; P300-C302 PolarHBondContact O-N 3.15Å; P300-C302 VanDerWaalsContact O-N 3.13Å; C302-G306 PolarHBondContact O-N 3.5Å; C302-G306 VanDerWaalsContact O-N 3.11Å |
| 303 | S | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.1 | -42.4 | 172.9 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | L244 P300 L301 G306 A307 | L244-S303 WeakPolarHBondContact O-CB 3.41Å; L244-S303 PolarHBondContact O-OG 2.84Å; P300-S303 VanDerWaalsContact O-CB 3.31Å; P300-S303 WeakPolarHBondContact O-CB 3.45Å; P300-S303 PolarHBondContact O-N 2.83Å; L301-S303 VanDerWaalsContact C-N 3.31Å; L301-S303 PolarHBondContact O-N 2.84Å; S303-G306 PolarHBondContact O-N 3.43Å; S303-A307 PolarHBondContact O-N 2.85Å |
| 304 | H | 95.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.7 | -67.2 | -76.4 | 0 | 0 | 0 | 112 | V293 D296 R299 P300 L301 G306 A307 V308 Y330 | V293-H304 PolarHBondContact O-CE1 3.36Å; V293-H304 PolarHBondContact O-ND1 3.42Å; D296-H304 PolarHBondContact O-CE1 3.3Å; D296-H304 PolarHBondContact O-NE2 3.01Å; R299-H304 PolarHBondContact O-CD2 3.18Å; R299-H304 PolarHBondContact O-NE2 2.99Å; P300-H304 PolarHBondContact O-CD2 3.39Å; P300-H304 VanDerWaalsContact O-CD2 3.31Å; P300-H304 PolarHBondContact O-N 3Å; L301-H304 PolarHBondContact O-N 3.35Å; H304-G306 VanDerWaalsContact C-N 3.33Å; H304-G306 PolarHBondContact O-N 3.01Å; H304-A307 WeakPolarHBondContact O-CB 3.45Å; H304-A307 PolarHBondContact O-N 3.41Å; H304-A307 VanDerWaalsContact O-N 3.16Å; H304-V308 WeakPolarHBondContact O-CG2 3.37Å; H304-V308 PolarHBondContact O-N 3.49Å; H304-Y330 HydrophobicContact CB-CE2 4.48Å; H304-Y330 WeakPolarHBondContact CB-OH 3.5Å; H304-Y330 AromaticContact CE1-CE2 3.74Å; H304-Y330 AromaticContact CG-CE2 3.93Å; H304-Y330 AromaticContact ND1-CE2 3.4Å; H304-Y330 WeakPolarHBondContact ND1-CE2 2.96Å; H304-Y330 AromaticContact ND1-CZ 3.9Å |
| 305 | Y | 96.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 29.2 Ų | 29.2 | 9% | 0.094 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.2 | -50.8 | 172.8 | 177.9 | -90.6 | 0 | 0 | 0 | 111.1 | W258 R261 D262 L301 A307 V308 V309 K354 A358 | W258-Y305 AromaticContact CE3-CD1 3.59Å; W258-Y305 HydrophobicContact CE3-CD1 3.59Å; W258-Y305 AromaticContact CE3-CD2 3.94Å; W258-Y305 HydrophobicContact CE3-CD2 3.94Å; W258-Y305 AromaticContact CE3-CE1 3.9Å; W258-Y305 HydrophobicContact CE3-CE1 3.9Å; W258-Y305 HydrophobicContact CE3-CE2 4.2Å; W258-Y305 AromaticContact CE3-CG 3.62Å; W258-Y305 HydrophobicContact CE3-CG 3.62Å; W258-Y305 AromaticContact CZ3-CD1 3.95Å; W258-Y305 HydrophobicContact CZ3-CD1 3.95Å; W258-Y305 AromaticContact CZ3-CD2 3.94Å; W258-Y305 HydrophobicContact CZ3-CD2 3.94Å; W258-Y305 AromaticContact CZ3-CG 3.56Å; W258-Y305 HydrophobicContact CZ3-CG 3.56Å; R261-Y305 HydrophobicContact CB-CD1 4.36Å; R261-Y305 HydrophobicContact CB-CE1 4.29Å; D262-Y305 WeakPolarHBondContact OD1-CE1 3.13Å; D262-Y305 PolarHBondContact OD1-OH 3.39Å; D262-Y305 PolarHBondContact OD2-OH 3.36Å; L301-Y305 WeakPolarHBondContact O-CB 3.41Å; L301-Y305 PolarHBondContact O-N 3.29Å; Y305-A307 VanDerWaalsContact C-N 3.3Å; Y305-A307 PolarHBondContact O-N 2.69Å; Y305-V308 PolarHBondContact O-N 2.98Å; Y305-V309 HydrophobicContact CD1-CG2 4.05Å; Y305-V309 HydrophobicContact CD2-CG2 4.44Å; Y305-V309 HydrophobicContact CE1-CG2 3.62Å; Y305-V309 HydrophobicContact CE2-CG2 4.07Å; Y305-V309 HydrophobicContact CG-CG2 4.44Å; Y305-V309 WeakPolarHBondContact O-CG2 3.41Å; Y305-V309 PolarHBondContact O-N 3.41Å; Y305-K354 HydrophobicContact CD2-CB 4.16Å; Y305-K354 HydrophobicContact CE2-CB 4.34Å; Y305-A358 HydrophobicContact CD2-CB 3.87Å; Y305-A358 HydrophobicContact CE2-CB 3.74Å |
| 306 | G | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -39.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I243 C302 S303 H304 G310 | I243-G306 WeakPolarHBondContact CG2-O 3.37Å; I243-G306 WeakPolarHBondContact O-CA 3.49Å; C302-G306 PolarHBondContact O-N 3.5Å; C302-G306 VanDerWaalsContact O-N 3.11Å; S303-G306 PolarHBondContact O-N 3.43Å; H304-G306 VanDerWaalsContact C-N 3.33Å; H304-G306 PolarHBondContact O-N 3.01Å; G306-G310 PolarHBondContact O-N 3.43Å |
| 307 | A | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L244 L290 V293 L294 S303 H304 Y305 G310 L311 | L244-A307 HydrophobicContact CD2-CB 3.92Å; L290-A307 HydrophobicContact CD2-CB 4.48Å; V293-A307 HydrophobicContact CB-CB 4.13Å; V293-A307 HydrophobicContact CG1-CB 4.05Å; L294-A307 HydrophobicContact CD2-CB 3.96Å; L294-A307 HydrophobicContact CG-CB 4.07Å; S303-A307 PolarHBondContact O-N 2.85Å; H304-A307 WeakPolarHBondContact O-CB 3.45Å; H304-A307 PolarHBondContact O-N 3.41Å; H304-A307 VanDerWaalsContact O-N 3.16Å; Y305-A307 VanDerWaalsContact C-N 3.3Å; Y305-A307 PolarHBondContact O-N 2.69Å; A307-G310 PolarHBondContact O-N 2.94Å; A307-L311 WeakPolarHBondContact O-CG 3.48Å; A307-L311 PolarHBondContact O-N 3.23Å |
| 308 | V | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -47.9 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | L294 H304 Y305 G310 L311 H312 L323 A358 I359 A362 | L294-V308 HydrophobicContact CD2-CG2 4Å; H304-V308 WeakPolarHBondContact O-CG2 3.37Å; H304-V308 PolarHBondContact O-N 3.49Å; Y305-V308 PolarHBondContact O-N 2.98Å; V308-G310 VanDerWaalsContact C-N 3.32Å; V308-G310 PolarHBondContact O-N 2.99Å; V308-L311 PolarHBondContact O-N 2.86Å; V308-H312 WeakPolarHBondContact O-CB 3.49Å; V308-H312 PolarHBondContact O-N 3.24Å; V308-L323 HydrophobicContact CG1-CD2 4.29Å; V308-L323 HydrophobicContact CG2-CD1 4.14Å; V308-A358 HydrophobicContact CB-CB 4.46Å; V308-A358 HydrophobicContact CG1-CB 3.92Å; V308-I359 HydrophobicContact CB-CG1 4.44Å; V308-I359 HydrophobicContact CG1-CB 4.5Å; V308-I359 HydrophobicContact CG1-CG1 3.83Å; V308-I359 HydrophobicContact CG2-CD1 4.38Å; V308-I359 HydrophobicContact CG2-CG1 3.77Å; V308-A362 HydrophobicContact CG1-CB 4.31Å |
| 309 | V | 97.4 | Very high | 95 | Very high | 18 Ų | 18 | 18.2 Ų | 18.2 | 11% | 0.109 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67 | -36.1 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | A265 Y305 H312 A313 A358 | A265-V309 HydrophobicContact CB-CB 4.4Å; A265-V309 HydrophobicContact CB-CG1 3.7Å; Y305-V309 HydrophobicContact CD1-CG2 4.05Å; Y305-V309 HydrophobicContact CD2-CG2 4.44Å; Y305-V309 HydrophobicContact CE1-CG2 3.62Å; Y305-V309 HydrophobicContact CE2-CG2 4.07Å; Y305-V309 HydrophobicContact CG-CG2 4.44Å; Y305-V309 WeakPolarHBondContact O-CG2 3.41Å; Y305-V309 PolarHBondContact O-N 3.41Å; V309-H312 WeakPolarHBondContact O-CB 3.42Å; V309-H312 PolarHBondContact O-N 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.4Å; V309-A313 PolarHBondContact O-N 2.88Å; V309-A358 HydrophobicContact CG2-CB 4.04Å |
| 310 | G | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.2 | -49.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G306 A307 V308 H312 A313 L314 | G306-G310 PolarHBondContact O-N 3.43Å; A307-G310 PolarHBondContact O-N 2.94Å; V308-G310 VanDerWaalsContact C-N 3.32Å; V308-G310 PolarHBondContact O-N 2.99Å; G310-H312 PolarHBondContact O-N 2.97Å; G310-A313 PolarHBondContact O-N 3.4Å; G310-L314 WeakPolarHBondContact O-CG 3.32Å; G310-L314 PolarHBondContact O-N 3.18Å; G310-L314 VanDerWaalsContact O-N 3.1Å |
| 311 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.4 | -71 | 171.5 | 0 | 0 | 0 | 111.9 | L287 L290 L294 A307 V308 A313 L314 G315 A318 V319 V322 L323 | L287-L311 HydrophobicContact CD2-CD2 3.75Å; L290-L311 HydrophobicContact CB-CD2 4.04Å; L290-L311 HydrophobicContact CB-CG 4.11Å; L290-L311 HydrophobicContact CD1-CD2 3.64Å; L290-L311 HydrophobicContact CD1-CG 3.89Å; L290-L311 HydrophobicContact CG-CD2 4.48Å; L294-L311 HydrophobicContact CD1-CD1 3.65Å; A307-L311 WeakPolarHBondContact O-CG 3.48Å; A307-L311 PolarHBondContact O-N 3.23Å; V308-L311 PolarHBondContact O-N 2.86Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 3.26Å; L311-L314 PolarHBondContact O-N 3.35Å; L311-G315 PolarHBondContact O-N 3.06Å; L311-A318 HydrophobicContact CD2-CB 4.15Å; L311-V319 HydrophobicContact CB-CG2 4.33Å; L311-V322 HydrophobicContact CD1-CB 4.05Å; L311-V322 HydrophobicContact CD1-CG1 3.83Å; L311-V322 HydrophobicContact CD2-CB 3.92Å; L311-V322 HydrophobicContact CD2-CG1 4.16Å; L311-V322 HydrophobicContact CD2-CG2 4.19Å; L311-L323 HydrophobicContact CD1-CB 4.11Å |
| 312 | H | 96.4 | Very high | 95 | Very high | 37 Ų | 37 | 17.6 Ų | 17.6 | 17% | 0.171 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | 176.2 | 179.8 | 79.9 | 0 | 0 | 0 | 112.1 | V308 V309 G310 G315 A362 R365 | V308-H312 WeakPolarHBondContact O-CB 3.49Å; V308-H312 PolarHBondContact O-N 3.24Å; V309-H312 WeakPolarHBondContact O-CB 3.42Å; V309-H312 PolarHBondContact O-N 3.24Å; G310-H312 PolarHBondContact O-N 2.97Å; H312-G315 PolarHBondContact O-N 3.37Å; H312-A362 HydrophobicContact CB-CB 4.21Å; H312-A362 WeakPolarHBondContact ND1-CA 3.22Å; H312-R365 WeakPolarHBondContact CE1-CD 3.41Å; H312-R365 PolarHBondContact NE2-NH1 2.93Å |
| 313 | A | 95.9 | Very high | 95 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 12% | 0.116 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.2 | -33.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A265 L266 S269 V309 G310 L311 G315 | A265-A313 HydrophobicContact CB-CB 4.06Å; A265-A313 VanDerWaalsContact O-CB 3.31Å; A265-A313 WeakPolarHBondContact O-CB 3.28Å; L266-A313 HydrophobicContact CD2-CB 4.47Å; S269-A313 VanDerWaalsContact CB-O 3.25Å; S269-A313 WeakPolarHBondContact CB-O 3.33Å; S269-A313 PolarHBondContact OG-O 3.1Å; V309-A313 WeakPolarHBondContact O-CB 3.4Å; V309-A313 PolarHBondContact O-N 2.88Å; G310-A313 PolarHBondContact O-N 3.4Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 3.26Å; A313-G315 VanDerWaalsContact C-N 3.33Å |
| 314 | L | 94.5 | Very high | 95 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.5 | -32.1 | 175.2 | -69.9 | 169 | 0 | 0 | 0 | 112.4 | F272 I286 L287 L290 G310 L311 A318 | F272-L314 HydrophobicContact CB-CD2 4.33Å; F272-L314 HydrophobicContact CD1-CD2 4.21Å; F272-L314 HydrophobicContact CG-CD2 4.25Å; I286-L314 HydrophobicContact CG2-CD1 3.66Å; L287-L314 HydrophobicContact CD2-CD1 4.07Å; L290-L314 HydrophobicContact CD1-CD1 3.6Å; G310-L314 WeakPolarHBondContact O-CG 3.32Å; G310-L314 PolarHBondContact O-N 3.18Å; G310-L314 VanDerWaalsContact O-N 3.1Å; L311-L314 PolarHBondContact O-N 3.35Å; L314-A318 HydrophobicContact CB-CB 3.97Å |
| 315 | G | 92.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 20 Ų | 20 | 22% | 0.216 | 10% | 0.099 | C | C | . | . | trans | 131.1 | 170.4 | 170 | 0 | 0 | 0 | 0 | 0 | 114.2 | L311 H312 A313 K317 A318 V319 | L311-G315 PolarHBondContact O-N 3.06Å; H312-G315 PolarHBondContact O-N 3.37Å; A313-G315 VanDerWaalsContact C-N 3.33Å; G315-K317 VanDerWaalsContact C-N 3.28Å; G315-K317 PolarHBondContact O-N 3.34Å; G315-A318 WeakPolarHBondContact O-CB 3.46Å; G315-A318 PolarHBondContact O-N 3.07Å; G315-V319 PolarHBondContact O-N 3.2Å | ||
| 316 | W | 92.6 | Very high | 94.5 | Very high | 29 Ų | 29 | 21.3 Ų | 21.3 | 11% | 0.11 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.5 | -32.4 | -171.9 | 67.8 | -88.8 | 0 | 0 | 0 | 114.1 | A318 V319 E320 L366 M369 K370 | W316-A318 VanDerWaalsContact C-N 3.31Å; W316-A318 PolarHBondContact O-N 3.35Å; W316-V319 WeakPolarHBondContact O-CB 3.21Å; W316-V319 PolarHBondContact O-N 3.38Å; W316-E320 VanDerWaalsContact CZ3-OE2 3.25Å; W316-E320 WeakPolarHBondContact CZ3-OE2 3.48Å; W316-E320 WeakPolarHBondContact O-CB 3.34Å; W316-E320 PolarHBondContact O-N 2.97Å; W316-L366 HydrophobicContact CB-CD1 4.37Å; W316-L366 HydrophobicContact CE3-CD1 3.9Å; W316-M369 HydrophobicContact CB-CB 3.93Å; W316-M369 HydrophobicContact CB-CG 4.3Å; W316-M369 HydrophobicContact CD2-CB 3.98Å; W316-M369 HydrophobicContact CG-CB 3.55Å; W316-M369 HydrophobicContact CG-CG 4.18Å; W316-K370 HydrophobicContact CE3-CB 4.41Å; W316-K370 HydrophobicContact CZ3-CB 4.15Å; W316-K370 HydrophobicContact CZ3-CG 4.23Å |
| 317 | K | 91.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 21.4 Ų | 21.4 | 30% | 0.296 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -67.4 | -30 | 175 | -69.2 | -171.3 | 179.6 | 164.6 | 0 | 113.1 | G315 R321 S402 | G315-K317 VanDerWaalsContact C-N 3.28Å; G315-K317 PolarHBondContact O-N 3.34Å; K317-R321 WeakPolarHBondContact O-CB 3.45Å; K317-R321 WeakPolarHBondContact O-CD 3.37Å; K317-R321 WeakPolarHBondContact O-CG 3.46Å; K317-R321 PolarHBondContact O-N 2.94Å; K317-S402 VanDerWaalsContact CD-OG 3.22Å; K317-S402 WeakPolarHBondContact CD-OG 3.45Å; K317-S402 WeakPolarHBondContact CE-OG 3.46Å; K317-S402 PolarHBondContact NZ-OG 3.04Å |
| 318 | A | 94 | Very high | 94 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.3 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L287 L311 L314 G315 W316 R321 V322 | L287-A318 HydrophobicContact CD2-CB 3.74Å; L311-A318 HydrophobicContact CD2-CB 4.15Å; L314-A318 HydrophobicContact CB-CB 3.97Å; G315-A318 WeakPolarHBondContact O-CB 3.46Å; G315-A318 PolarHBondContact O-N 3.07Å; W316-A318 VanDerWaalsContact C-N 3.31Å; W316-A318 PolarHBondContact O-N 3.35Å; A318-R321 PolarHBondContact O-N 3.21Å; A318-V322 WeakPolarHBondContact O-CB 3.41Å; A318-V322 PolarHBondContact O-N 3.02Å |
| 319 | V | 95.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -62.2 | -45.8 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | L311 G315 W316 L323 Y324 A362 L366 | L311-V319 HydrophobicContact CB-CG2 4.33Å; G315-V319 PolarHBondContact O-N 3.2Å; W316-V319 WeakPolarHBondContact O-CB 3.21Å; W316-V319 PolarHBondContact O-N 3.38Å; V319-L323 HydrophobicContact CG1-CB 3.9Å; V319-L323 HydrophobicContact CG1-CD2 3.77Å; V319-L323 HydrophobicContact CG1-CG 4.39Å; V319-L323 WeakPolarHBondContact O-CA 3.34Å; V319-L323 WeakPolarHBondContact O-CB 3.39Å; V319-L323 PolarHBondContact O-N 3.5Å; V319-Y324 PolarHBondContact O-N 3.01Å; V319-A362 HydrophobicContact CG1-CB 4.16Å; V319-A362 HydrophobicContact CG2-CB 4.3Å; V319-L366 HydrophobicContact CG1-CB 4.25Å; V319-L366 HydrophobicContact CG1-CD2 4.15Å |
| 320 | E | 93.3 | Very high | 93.5 | Very high | 20 Ų | 20 | 27 Ų | 27 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -61.3 | -44.8 | 177.9 | -170.8 | 175.4 | -157.6 | 0 | 0 | 112.5 | W316 P325 L366 K370 W432 M440 | W316-E320 VanDerWaalsContact CZ3-OE2 3.25Å; W316-E320 WeakPolarHBondContact CZ3-OE2 3.48Å; W316-E320 WeakPolarHBondContact O-CB 3.34Å; W316-E320 PolarHBondContact O-N 2.97Å; E320-P325 VanDerWaalsContact O-CD 3.22Å; E320-P325 WeakPolarHBondContact O-CD 3.44Å; E320-L366 HydrophobicContact CB-CD1 3.7Å; E320-L366 HydrophobicContact CG-CD1 4.23Å; E320-K370 WeakPolarHBondContact OE1-CE 3.5Å; E320-K370 IonicContact OE1-NZ 3.9Å; E320-K370 PolarHBondContact OE1-NZ 3.46Å; E320-W432 HydrophobicContact CG-CH2 3.91Å; E320-W432 HydrophobicContact CG-CZ3 3.78Å; E320-W432 VanDerWaalsContact O-CH2 3.31Å; E320-W432 WeakPolarHBondContact O-CH2 3.31Å; E320-M440 HydrophobicContact CG-CE 4.38Å |
| 321 | R | 91.3 | Very high | 93.3 | Very high | 115 Ų | 115 | 28.4 Ų | 28.4 | 43% | 0.434 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -78.3 | -32 | -175.5 | -70.3 | 173.5 | -173.3 | 163 | -0.8 | 113.8 | K317 A318 P325 | K317-R321 WeakPolarHBondContact O-CB 3.45Å; K317-R321 WeakPolarHBondContact O-CD 3.37Å; K317-R321 WeakPolarHBondContact O-CG 3.46Å; K317-R321 PolarHBondContact O-N 2.94Å; A318-R321 PolarHBondContact O-N 3.21Å; R321-P325 VanDerWaalsContact O-CG 3.23Å; R321-P325 WeakPolarHBondContact O-CG 3.31Å |
| 322 | V | 94 | Very high | 93 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -110.5 | -59.7 | -174 | -177.7 | 0 | 0 | 0 | 0 | 111 | L287 Q291 L294 L311 A318 H326 | L287-V322 HydrophobicContact CB-CG2 4.3Å; L287-V322 HydrophobicContact CD1-CG2 4.4Å; L287-V322 HydrophobicContact CD2-CG2 4.14Å; Q291-V322 HydrophobicContact CB-CG1 3.64Å; Q291-V322 HydrophobicContact CG-CG1 4.01Å; L294-V322 HydrophobicContact CD1-CG1 4.33Å; L311-V322 HydrophobicContact CD1-CB 4.05Å; L311-V322 HydrophobicContact CD1-CG1 3.83Å; L311-V322 HydrophobicContact CD2-CB 3.92Å; L311-V322 HydrophobicContact CD2-CG1 4.16Å; L311-V322 HydrophobicContact CD2-CG2 4.19Å; A318-V322 WeakPolarHBondContact O-CB 3.41Å; A318-V322 PolarHBondContact O-N 3.02Å; V322-H326 PolarHBondContact O-CD2 3.25Å |
| 323 | L | 94.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -65.6 | -48.4 | -172.3 | -174.9 | 63.3 | 0 | 0 | 0 | 111.9 | L294 V308 L311 V319 H326 L327 I359 A362 | L294-L323 HydrophobicContact CD1-CD1 3.86Å; V308-L323 HydrophobicContact CG1-CD2 4.29Å; V308-L323 HydrophobicContact CG2-CD1 4.14Å; L311-L323 HydrophobicContact CD1-CB 4.11Å; V319-L323 HydrophobicContact CG1-CB 3.9Å; V319-L323 HydrophobicContact CG1-CD2 3.77Å; V319-L323 HydrophobicContact CG1-CG 4.39Å; V319-L323 WeakPolarHBondContact O-CA 3.34Å; V319-L323 WeakPolarHBondContact O-CB 3.39Å; V319-L323 PolarHBondContact O-N 3.5Å; L323-H326 PolarHBondContact O-N 3.17Å; L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 PolarHBondContact O-N 3.43Å; L323-I359 HydrophobicContact CD2-CG2 4.3Å; L323-A362 HydrophobicContact CD2-CB 4.04Å |
| 324 | Y | 93.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 33 Ų | 33 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -51.5 | -174.1 | 175.7 | -104.1 | 0 | 0 | 0 | 113.9 | V319 H326 L327 P328 W432 V435 M440 E443 L444 | V319-Y324 PolarHBondContact O-N 3.01Å; Y324-H326 VanDerWaalsContact C-N 3.29Å; Y324-H326 PolarHBondContact O-N 3.46Å; Y324-L327 VanDerWaalsContact O-CB 3.29Å; Y324-L327 WeakPolarHBondContact O-CB 3.31Å; Y324-L327 PolarHBondContact O-N 3.14Å; Y324-L327 VanDerWaalsContact O-N 3.16Å; Y324-P328 WeakPolarHBondContact O-CD 3.26Å; Y324-W432 AromaticContact CD1-CH2 3.57Å; Y324-W432 HydrophobicContact CD1-CH2 3.57Å; Y324-W432 AromaticContact CD1-CZ2 3.63Å; Y324-W432 HydrophobicContact CD1-CZ2 3.63Å; Y324-W432 AromaticContact CE1-CH2 3.99Å; Y324-W432 HydrophobicContact CE1-CH2 3.99Å; Y324-W432 HydrophobicContact CE1-CZ2 4.13Å; Y324-V435 HydrophobicContact CE1-CB 4.42Å; Y324-V435 HydrophobicContact CE1-CG2 4.03Å; Y324-M440 HydrophobicContact CD1-CE 4.2Å; Y324-M440 HydrophobicContact CD2-CG 4.29Å; Y324-M440 HydrophobicContact CE1-CE 3.88Å; Y324-M440 HydrophobicContact CE2-CB 4.46Å; Y324-M440 HydrophobicContact CE2-CE 4.4Å; Y324-M440 HydrophobicContact CE2-CG 3.7Å; Y324-E443 VanDerWaalsContact CZ-OE2 3.25Å; Y324-E443 PolarHBondContact OH-OE2 2.86Å; Y324-L444 HydrophobicContact CD2-CD1 4.45Å; Y324-L444 HydrophobicContact CD2-CD2 4.05Å; Y324-L444 HydrophobicContact CD2-CG 4.32Å; Y324-L444 HydrophobicContact CE2-CD1 4.39Å; Y324-L444 HydrophobicContact CE2-CD2 4.26Å; Y324-L444 HydrophobicContact CE2-CG 4.12Å |
| 325 | P | 92.1 | Very high | 92.5 | Very high | 50 Ų | 50 | 36.5 Ų | 36.5 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.8 | -24.1 | 179.2 | 21.2 | -29.4 | 0 | 0 | 0 | 114.4 | E320 R321 W432 | E320-P325 VanDerWaalsContact O-CD 3.22Å; E320-P325 WeakPolarHBondContact O-CD 3.44Å; R321-P325 VanDerWaalsContact O-CG 3.23Å; R321-P325 WeakPolarHBondContact O-CG 3.31Å; P325-W432 HydrophobicContact CB-CZ2 4.07Å; P325-W432 HydrophobicContact CG-CZ2 3.85Å |
| 326 | H | 91.1 | Very high | 92.4 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -87.2 | -12.9 | 175.4 | -74.3 | -71 | 0 | 0 | 0 | 113.1 | Q291 V322 L323 Y324 A329 Y330 | Q291-H326 PolarHBondContact NE2-NE2 3.32Å; V322-H326 PolarHBondContact O-CD2 3.25Å; L323-H326 PolarHBondContact O-N 3.17Å; Y324-H326 VanDerWaalsContact C-N 3.29Å; Y324-H326 PolarHBondContact O-N 3.46Å; H326-A329 PolarHBondContact O-N 3.25Å; H326-Y330 WeakPolarHBondContact O-CB 3.16Å; H326-Y330 PolarHBondContact O-N 3.43Å |
| 327 | L | 92.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | -173.4 | -168.5 | 67.4 | 0 | 0 | 0 | 113.5 | L323 Y324 A329 Y330 W331 I359 L444 F447 F448 | L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 PolarHBondContact O-N 3.43Å; Y324-L327 VanDerWaalsContact O-CB 3.29Å; Y324-L327 WeakPolarHBondContact O-CB 3.31Å; Y324-L327 PolarHBondContact O-N 3.14Å; Y324-L327 VanDerWaalsContact O-N 3.16Å; L327-A329 PolarHBondContact O-N 3.37Å; L327-Y330 PolarHBondContact O-N 3.11Å; L327-W331 WeakPolarHBondContact O-CA 3.47Å; L327-W331 WeakPolarHBondContact O-CB 3.28Å; L327-W331 PolarHBondContact O-N 2.86Å; L327-I359 HydrophobicContact CD1-CD1 4.46Å; L327-I359 HydrophobicContact CD1-CG2 3.86Å; L327-L444 HydrophobicContact CD2-CD2 3.5Å; L327-F447 HydrophobicContact CD2-CD2 3.91Å; L327-F447 HydrophobicContact CD2-CE2 4.24Å; L327-F447 HydrophobicContact CG-CD2 4.4Å; L327-F448 HydrophobicContact CD1-CZ 4.39Å; L327-F448 HydrophobicContact CD2-CE2 3.88Å; L327-F448 HydrophobicContact CD2-CZ 4.06Å |
| 328 | P | 91.2 | Very high | 92.3 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -43 | -178.8 | -24.6 | 34.6 | 0 | 0 | 0 | 113.2 | Y324 F447 | Y324-P328 WeakPolarHBondContact O-CD 3.26Å; P328-F447 HydrophobicContact CB-CZ 4.01Å; P328-F447 HydrophobicContact CG-CE2 4.43Å; P328-F447 HydrophobicContact CG-CZ 3.95Å |
| 329 | A | 91.4 | Very high | 92.2 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 59% | 0.587 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -71 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | H326 L327 | H326-A329 PolarHBondContact O-N 3.25Å; L327-A329 PolarHBondContact O-N 3.37Å |
| 330 | Y | 92.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.2 | -37.1 | 178.5 | -173.1 | -103.4 | 0 | 0 | 0 | 112.5 | H304 H326 L327 A332 N333 L334 V355 I359 | H304-Y330 HydrophobicContact CB-CE2 4.48Å; H304-Y330 WeakPolarHBondContact CB-OH 3.5Å; H304-Y330 AromaticContact CE1-CE2 3.74Å; H304-Y330 AromaticContact CG-CE2 3.93Å; H304-Y330 AromaticContact ND1-CE2 3.4Å; H304-Y330 WeakPolarHBondContact ND1-CE2 2.96Å; H304-Y330 AromaticContact ND1-CZ 3.9Å; H326-Y330 WeakPolarHBondContact O-CB 3.16Å; H326-Y330 PolarHBondContact O-N 3.43Å; L327-Y330 PolarHBondContact O-N 3.11Å; Y330-A332 PolarHBondContact O-N 2.66Å; Y330-N333 PolarHBondContact O-N 3.22Å; Y330-L334 HydrophobicContact CE1-CB 4.24Å; Y330-L334 HydrophobicContact CE1-CD2 4.15Å; Y330-L334 PolarHBondContact O-N 3.48Å; Y330-V355 HydrophobicContact CE1-CG1 4.13Å; Y330-I359 HydrophobicContact CD1-CD1 4.08Å; Y330-I359 HydrophobicContact CE1-CD1 3.76Å |
| 331 | W | 92.8 | Very high | 91.4 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | -177.1 | 178.7 | -100.7 | 0 | 0 | 0 | 112.3 | L327 N333 L334 Q335 Y356 F447 F448 | L327-W331 WeakPolarHBondContact O-CA 3.47Å; L327-W331 WeakPolarHBondContact O-CB 3.28Å; L327-W331 PolarHBondContact O-N 2.86Å; W331-N333 VanDerWaalsContact C-N 3.26Å; W331-N333 PolarHBondContact O-N 3.42Å; W331-L334 HydrophobicContact CE3-CD2 4.44Å; W331-L334 HydrophobicContact CZ3-CD2 4.32Å; W331-L334 PolarHBondContact O-N 3.49Å; W331-Q335 VanDerWaalsContact O-CB 3.25Å; W331-Q335 WeakPolarHBondContact O-CB 3.41Å; W331-Q335 PolarHBondContact O-N 2.86Å; W331-Y356 AromaticContact CH2-CD2 3.92Å; W331-Y356 HydrophobicContact CH2-CD2 3.92Å; W331-Y356 AromaticContact CH2-CE2 3.62Å; W331-Y356 HydrophobicContact CH2-CE2 3.62Å; W331-Y356 AromaticContact CZ3-CD2 3.74Å; W331-Y356 HydrophobicContact CZ3-CD2 3.74Å; W331-Y356 AromaticContact CZ3-CE2 3.79Å; W331-Y356 HydrophobicContact CZ3-CE2 3.79Å; W331-F447 HydrophobicContact CB-CD1 4.13Å; W331-F447 HydrophobicContact CB-CE1 4.37Å; W331-F447 AromaticContact CD1-CD1 3.44Å; W331-F447 VanDerWaalsContact CD1-CD1 3.44Å; W331-F447 HydrophobicContact CD2-CB 3.97Å; W331-F447 HydrophobicContact CD2-CD1 4.12Å; W331-F447 HydrophobicContact CD2-CG 4.33Å; W331-F447 HydrophobicContact CE3-CB 4.29Å; W331-F447 HydrophobicContact CG-CB 4.33Å; W331-F447 AromaticContact CG-CD1 3.59Å; W331-F447 HydrophobicContact CG-CD1 3.59Å; W331-F447 HydrophobicContact CG-CE1 4.22Å; W331-F447 HydrophobicContact CG-CG 4.17Å; W331-F447 WeakPolarHBondContact CH2-O 3.41Å; W331-F447 HydrophobicContact CZ2-CB 4.49Å; W331-F447 WeakPolarHBondContact CZ2-O 3.19Å; W331-F447 AromaticContact NE1-CD1 3.88Å; W331-F448 HydrophobicContact CE3-CE1 4.22Å; W331-F448 HydrophobicContact CE3-CZ 4.49Å; W331-F448 HydrophobicContact CH2-CD1 4.43Å; W331-F448 HydrophobicContact CH2-CE1 4.41Å; W331-F448 HydrophobicContact CZ3-CD1 4.12Å; W331-F448 AromaticContact CZ3-CE1 3.67Å; W331-F448 HydrophobicContact CZ3-CE1 3.67Å; W331-F448 HydrophobicContact CZ3-CZ 4.37Å |
| 332 | A | 90.6 | Very high | 91.2 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 50% | 0.504 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.6 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y330 A336 | Y330-A332 PolarHBondContact O-N 2.66Å; A332-A336 PolarHBondContact O-N 3.5Å |
| 333 | N | 91.3 | Very high | 90.5 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.6 | -43.2 | 178 | -62.6 | -34.8 | 0 | 0 | 0 | 111.7 | Y330 W331 A336 V337 | Y330-N333 PolarHBondContact O-N 3.22Å; W331-N333 VanDerWaalsContact C-N 3.26Å; W331-N333 PolarHBondContact O-N 3.42Å; N333-A336 PolarHBondContact O-N 2.95Å; N333-V337 PolarHBondContact O-N 3.38Å |
| 334 | L | 92.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 178.7 | -177.3 | 63.4 | 0 | 0 | 0 | 111.5 | Y330 W331 A336 V337 L338 V355 I359 | Y330-L334 HydrophobicContact CE1-CB 4.24Å; Y330-L334 HydrophobicContact CE1-CD2 4.15Å; Y330-L334 PolarHBondContact O-N 3.48Å; W331-L334 HydrophobicContact CE3-CD2 4.44Å; W331-L334 HydrophobicContact CZ3-CD2 4.32Å; W331-L334 PolarHBondContact O-N 3.49Å; L334-A336 VanDerWaalsContact C-N 3.34Å; L334-A336 PolarHBondContact O-N 3.35Å; L334-V337 WeakPolarHBondContact O-CB 3.39Å; L334-V337 PolarHBondContact O-N 3.45Å; L334-V337 VanDerWaalsContact O-N 3.14Å; L334-L338 HydrophobicContact CG-CD1 4.07Å; L334-L338 HydrophobicContact CG-CG 4.42Å; L334-L338 WeakPolarHBondContact O-CG 3.5Å; L334-L338 PolarHBondContact O-N 2.95Å; L334-V355 HydrophobicContact CD1-CB 4.42Å; L334-V355 HydrophobicContact CD1-CG1 4.47Å; L334-V355 HydrophobicContact CD2-CG1 4.44Å; L334-I359 HydrophobicContact CD2-CD1 4Å |
| 335 | Q | 92.1 | Very high | 89.6 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 38% | 0.379 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 178.2 | -177.5 | 171.2 | -6.7 | 0 | 0 | 111.3 | W331 V337 L338 D339 | W331-Q335 VanDerWaalsContact O-CB 3.25Å; W331-Q335 WeakPolarHBondContact O-CB 3.41Å; W331-Q335 PolarHBondContact O-N 2.86Å; Q335-V337 PolarHBondContact O-N 3.01Å; Q335-L338 PolarHBondContact O-N 3.18Å; Q335-L338 VanDerWaalsContact O-N 3.08Å; Q335-D339 VanDerWaalsContact CG-OD2 3.28Å; Q335-D339 WeakPolarHBondContact CG-OD2 3.33Å; Q335-D339 PolarHBondContact NE2-OD2 2.97Å; Q335-D339 WeakPolarHBondContact O-CB 3.42Å; Q335-D339 PolarHBondContact O-N 2.71Å |
| 336 | A | 91.2 | Very high | 89.5 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.1 | -35.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A332 N333 L334 D340 | A332-A336 PolarHBondContact O-N 3.5Å; N333-A336 PolarHBondContact O-N 2.95Å; L334-A336 VanDerWaalsContact C-N 3.34Å; L334-A336 PolarHBondContact O-N 3.35Å; A336-D340 PolarHBondContact O-N 3.26Å |
| 337 | V | 90.8 | Very high | 89.3 | Confident | 37 Ų | 37 | 64 Ų | 64 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.2 | -38.6 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | L301 N333 L334 Q335 V348 | L301-V337 HydrophobicContact CD1-CG1 4.16Å; N333-V337 PolarHBondContact O-N 3.38Å; L334-V337 WeakPolarHBondContact O-CB 3.39Å; L334-V337 PolarHBondContact O-N 3.45Å; L334-V337 VanDerWaalsContact O-N 3.14Å; Q335-V337 PolarHBondContact O-N 3.01Å; V337-V348 HydrophobicContact CG1-CG1 3.9Å |
| 338 | L | 91.1 | Very high | 89.3 | Confident | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.105 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.2 | -34.8 | 179.8 | -66.5 | 173.3 | 0 | 0 | 0 | 112.1 | L334 Q335 D340 K349 Y356 | L334-L338 HydrophobicContact CG-CD1 4.07Å; L334-L338 HydrophobicContact CG-CG 4.42Å; L334-L338 WeakPolarHBondContact O-CG 3.5Å; L334-L338 PolarHBondContact O-N 2.95Å; Q335-L338 PolarHBondContact O-N 3.18Å; Q335-L338 VanDerWaalsContact O-N 3.08Å; L338-D340 VanDerWaalsContact C-N 3.3Å; L338-K349 WeakPolarHBondContact O-CE 3.49Å; L338-K349 PolarHBondContact O-NZ 3.41Å; L338-Y356 HydrophobicContact CD1-CD2 4.16Å; L338-Y356 HydrophobicContact CD1-CG 4.43Å |
| 339 | D | 91.4 | Very high | 89.3 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -82.7 | -5.5 | 179.9 | -67.3 | -20 | 0 | 0 | 0 | 112.8 | Q335 Y341 | Q335-D339 VanDerWaalsContact CG-OD2 3.28Å; Q335-D339 WeakPolarHBondContact CG-OD2 3.33Å; Q335-D339 PolarHBondContact NE2-OD2 2.97Å; Q335-D339 WeakPolarHBondContact O-CB 3.42Å; Q335-D339 PolarHBondContact O-N 2.71Å; D339-Y341 WeakPolarHBondContact O-CD2 3.41Å; D339-Y341 VanDerWaalsContact O-CE2 3.22Å; D339-Y341 WeakPolarHBondContact O-CE2 3.37Å; D339-Y341 PolarHBondContact O-N 2.82Å |
| 340 | D | 89.4 | Confident | 89.3 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 28% | 0.283 | 38% | 0.377 | S | S | . | . | trans | -71.6 | 118.6 | 172.9 | -168.2 | -9 | 0 | 0 | 0 | 110.4 | A336 L338 S342 N345 K349 | A336-D340 PolarHBondContact O-N 3.26Å; L338-D340 VanDerWaalsContact C-N 3.3Å; D340-S342 VanDerWaalsContact CG-OG 3.25Å; D340-S342 WeakPolarHBondContact OD1-CB 3.27Å; D340-S342 PolarHBondContact OD1-N 3.44Å; D340-S342 PolarHBondContact OD1-OG 3.37Å; D340-S342 PolarHBondContact OD2-OG 3.19Å; D340-N345 PolarHBondContact OD2-ND2 3.45Å; D340-K349 WeakPolarHBondContact O-CD 3.4Å; D340-K349 PolarHBondContact O-NZ 3.05Å | ||
| 341 | Y | 82.8 | Confident | 89.2 | Confident | 193 Ų | 193 | 66.2 Ų | 66.2 | 76% | 0.757 | 38% | 0.383 | S | S | * | . | trans | -102.2 | 8.7 | 177.9 | -66.7 | -83.1 | 0 | 0 | 0 | 112.9 | D339 | D339-Y341 WeakPolarHBondContact O-CD2 3.41Å; D339-Y341 VanDerWaalsContact O-CE2 3.22Å; D339-Y341 WeakPolarHBondContact O-CE2 3.37Å; D339-Y341 PolarHBondContact O-N 2.82Å | ||
| 342 | S | 87.6 | Confident | 89.3 | Confident | 42 Ų | 42 | 64.8 Ų | 64.8 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -67.7 | 133.5 | 176.8 | 66 | 0 | 0 | 0 | 0 | 111.7 | D340 S344 N345 | D340-S342 VanDerWaalsContact CG-OG 3.25Å; D340-S342 WeakPolarHBondContact OD1-CB 3.27Å; D340-S342 PolarHBondContact OD1-N 3.44Å; D340-S342 PolarHBondContact OD1-OG 3.37Å; D340-S342 PolarHBondContact OD2-OG 3.19Å; S342-S344 PolarHBondContact O-N 3.14Å; S342-N345 PolarHBondContact O-N 3.26Å; S342-N345 WeakPolarHBondContact OG-CB 3.41Å; S342-N345 PolarHBondContact OG-ND2 3.31Å | ||
| 343 | V | 78.9 | Confident | 89.5 | Confident | 136 Ų | 136 | 66.6 Ų | 66.6 | 82% | 0.824 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -65 | -30.2 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | N345 A346 | V343-N345 VanDerWaalsContact C-N 3.26Å; V343-N345 PolarHBondContact O-N 3.32Å; V343-A346 WeakPolarHBondContact O-CB 3.32Å; V343-A346 PolarHBondContact O-N 2.63Å |
| 344 | S | 82.1 | Confident | 89.7 | Confident | 104 Ų | 104 | 67.6 Ų | 67.6 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -64.3 | -26.6 | 176.5 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | S342 | S342-S344 PolarHBondContact O-N 3.14Š|
| 345 | N | 87.4 | Confident | 89.8 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 35% | 0.348 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -105.4 | 15.2 | -177.5 | -65.7 | -21 | 0 | 0 | 0 | 113.3 | D340 S342 V343 Q347 V348 K349 | D340-N345 PolarHBondContact OD2-ND2 3.45Å; S342-N345 PolarHBondContact O-N 3.26Å; S342-N345 WeakPolarHBondContact OG-CB 3.41Å; S342-N345 PolarHBondContact OG-ND2 3.31Å; V343-N345 VanDerWaalsContact C-N 3.26Å; V343-N345 PolarHBondContact O-N 3.32Å; N345-Q347 VanDerWaalsContact C-N 3.27Å; N345-Q347 PolarHBondContact O-N 3.36Å; N345-V348 PolarHBondContact O-N 3Å; N345-V348 VanDerWaalsContact O-N 3.09Å; N345-K349 PolarHBondContact O-N 3.15Å |
| 346 | A | 88.5 | Confident | 90 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -55.6 | -38.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V343 A350 | V343-A346 WeakPolarHBondContact O-CB 3.32Å; V343-A346 PolarHBondContact O-N 2.63Å; A346-A350 PolarHBondContact O-N 3.36Å |
| 347 | Q | 88.3 | Confident | 90.2 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 176.4 | -176.5 | 62.7 | 35.4 | 0 | 0 | 111.9 | N345 K349 A350 D351 | N345-Q347 VanDerWaalsContact C-N 3.27Å; N345-Q347 PolarHBondContact O-N 3.36Å; Q347-K349 VanDerWaalsContact C-N 3.26Å; Q347-K349 PolarHBondContact O-N 3.18Å; Q347-A350 WeakPolarHBondContact O-CB 3.49Å; Q347-A350 PolarHBondContact O-N 3.08Å; Q347-A350 VanDerWaalsContact O-N 3.12Å; Q347-D351 PolarHBondContact NE2-OD1 3.32Å; Q347-D351 PolarHBondContact O-N 3.48Å |
| 348 | V | 90.5 | Very high | 90.5 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 179.3 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | L301 V337 N345 D351 G352 | L301-V348 HydrophobicContact CD1-CG1 3.7Å; L301-V348 WeakPolarHBondContact CD1-O 3.49Å; V337-V348 HydrophobicContact CG1-CG1 3.9Å; N345-V348 PolarHBondContact O-N 3Å; N345-V348 VanDerWaalsContact O-N 3.09Å; V348-D351 PolarHBondContact O-N 2.93Å; V348-G352 PolarHBondContact O-N 3.45Å |
| 349 | K | 91.3 | Very high | 90.7 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 18% | 0.183 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 173 | -177.4 | 177.8 | -174.5 | 125.6 | 0 | 112.6 | L338 D340 N345 Q347 D351 G352 H353 | L338-K349 WeakPolarHBondContact O-CE 3.49Å; L338-K349 PolarHBondContact O-NZ 3.41Å; D340-K349 WeakPolarHBondContact O-CD 3.4Å; D340-K349 PolarHBondContact O-NZ 3.05Å; N345-K349 PolarHBondContact O-N 3.15Å; Q347-K349 VanDerWaalsContact C-N 3.26Å; Q347-K349 PolarHBondContact O-N 3.18Å; K349-D351 VanDerWaalsContact C-N 3.33Å; K349-D351 PolarHBondContact O-N 3.23Å; K349-G352 WeakPolarHBondContact O-CA 3.33Å; K349-G352 PolarHBondContact O-N 3.28Å; K349-G352 VanDerWaalsContact O-N 3.16Å; K349-H353 PolarHBondContact O-CD2 3.08Å; K349-H353 VanDerWaalsContact O-CD2 3.25Å; K349-H353 PolarHBondContact O-N 3.3Å |
| 350 | A | 91.3 | Very high | 90.9 | Very high | 48 Ų | 48 | 58 Ų | 58 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A346 Q347 G352 H353 K354 | A346-A350 PolarHBondContact O-N 3.36Å; Q347-A350 WeakPolarHBondContact O-CB 3.49Å; Q347-A350 PolarHBondContact O-N 3.08Å; Q347-A350 VanDerWaalsContact O-N 3.12Å; A350-G352 VanDerWaalsContact C-N 3.33Å; A350-H353 PolarHBondContact O-N 3.21Å; A350-K354 PolarHBondContact O-N 3.3Å |
| 351 | D | 92.3 | Very high | 91.1 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 17% | 0.171 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 174.2 | -63.6 | -9.2 | 0 | 0 | 0 | 111.2 | W258 L301 Q347 V348 K349 H353 K354 V355 | W258-D351 HydrophobicContact CH2-CB 4.05Å; W258-D351 HydrophobicContact CZ2-CB 4.25Å; W258-D351 WeakPolarHBondContact CZ2-OD1 3.35Å; L301-D351 HydrophobicContact CB-CB 4.05Å; L301-D351 HydrophobicContact CD1-CB 3.96Å; Q347-D351 PolarHBondContact NE2-OD1 3.32Å; Q347-D351 PolarHBondContact O-N 3.48Å; V348-D351 PolarHBondContact O-N 2.93Å; K349-D351 VanDerWaalsContact C-N 3.33Å; K349-D351 PolarHBondContact O-N 3.23Å; D351-H353 VanDerWaalsContact C-N 3.34Å; D351-H353 PolarHBondContact O-N 3.29Å; D351-K354 WeakPolarHBondContact O-CB 3.23Å; D351-K354 PolarHBondContact O-N 3.37Å; D351-K354 VanDerWaalsContact O-N 3.11Å; D351-V355 PolarHBondContact O-N 3.04Å; D351-V355 VanDerWaalsContact O-N 3.1Å |
| 352 | G | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V348 K349 A350 K354 V355 Y356 | V348-G352 PolarHBondContact O-N 3.45Å; K349-G352 WeakPolarHBondContact O-CA 3.33Å; K349-G352 PolarHBondContact O-N 3.28Å; K349-G352 VanDerWaalsContact O-N 3.16Å; A350-G352 VanDerWaalsContact C-N 3.33Å; G352-K354 VanDerWaalsContact C-N 3.3Å; G352-K354 PolarHBondContact O-N 2.95Å; G352-V355 PolarHBondContact O-N 2.5Å; G352-Y356 WeakPolarHBondContact O-CB 3.46Å; G352-Y356 PolarHBondContact O-N 3.46Å |
| 353 | H | 94.4 | Very high | 92.1 | Very high | 98 Ų | 98 | 47.4 Ų | 47.4 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -32.1 | 174.1 | -78.1 | -63.7 | 0 | 0 | 0 | 113 | K349 A350 D351 G357 | K349-H353 PolarHBondContact O-CD2 3.08Å; K349-H353 VanDerWaalsContact O-CD2 3.25Å; K349-H353 PolarHBondContact O-N 3.3Å; A350-H353 PolarHBondContact O-N 3.21Å; D351-H353 VanDerWaalsContact C-N 3.34Å; D351-H353 PolarHBondContact O-N 3.29Å; H353-G357 PolarHBondContact O-N 3.02Å |
| 354 | K | 95 | Very high | 92.8 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 45% | 0.452 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 172.8 | -67 | -74.2 | -172.5 | 168.5 | 0 | 111.2 | W258 Y305 A350 D351 G352 G357 A358 | W258-K354 HydrophobicContact CD2-CG 4.43Å; W258-K354 HydrophobicContact CE3-CB 4.33Å; W258-K354 HydrophobicContact CH2-CB 4.2Å; W258-K354 HydrophobicContact CH2-CG 4.39Å; W258-K354 HydrophobicContact CZ2-CG 4.25Å; W258-K354 HydrophobicContact CZ3-CB 4.08Å; Y305-K354 HydrophobicContact CD2-CB 4.16Å; Y305-K354 HydrophobicContact CE2-CB 4.34Å; A350-K354 PolarHBondContact O-N 3.3Å; D351-K354 WeakPolarHBondContact O-CB 3.23Å; D351-K354 PolarHBondContact O-N 3.37Å; D351-K354 VanDerWaalsContact O-N 3.11Å; G352-K354 VanDerWaalsContact C-N 3.3Å; G352-K354 PolarHBondContact O-N 2.95Å; K354-G357 PolarHBondContact O-N 3.45Å; K354-A358 PolarHBondContact O-N 2.94Å |
| 355 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.6 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | L301 Y330 L334 D351 G352 G357 A358 I359 | L301-V355 HydrophobicContact CB-CG2 4.14Å; L301-V355 HydrophobicContact CD2-CG2 4.36Å; L301-V355 WeakPolarHBondContact O-CG2 3.28Å; Y330-V355 HydrophobicContact CE1-CG1 4.13Å; L334-V355 HydrophobicContact CD1-CB 4.42Å; L334-V355 HydrophobicContact CD1-CG1 4.47Å; L334-V355 HydrophobicContact CD2-CG1 4.44Å; D351-V355 PolarHBondContact O-N 3.04Å; D351-V355 VanDerWaalsContact O-N 3.1Å; G352-V355 PolarHBondContact O-N 2.5Å; V355-G357 VanDerWaalsContact C-N 3.33Å; V355-G357 PolarHBondContact O-N 2.96Å; V355-A358 PolarHBondContact O-N 3.48Å; V355-A358 VanDerWaalsContact O-N 3.15Å; V355-I359 HydrophobicContact CG1-CD1 3.86Å; V355-I359 HydrophobicContact CG1-CG1 4.37Å; V355-I359 WeakPolarHBondContact O-CG1 3.44Å; V355-I359 PolarHBondContact O-N 3.16Å |
| 356 | Y | 96 | Very high | 93.6 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.7 | -48.5 | 175.8 | 174.1 | -99.5 | 0 | 0 | 0 | 112.1 | W331 L338 G352 A358 I359 L360 F448 S451 | W331-Y356 AromaticContact CH2-CD2 3.92Å; W331-Y356 HydrophobicContact CH2-CD2 3.92Å; W331-Y356 AromaticContact CH2-CE2 3.62Å; W331-Y356 HydrophobicContact CH2-CE2 3.62Å; W331-Y356 AromaticContact CZ3-CD2 3.74Å; W331-Y356 HydrophobicContact CZ3-CD2 3.74Å; W331-Y356 AromaticContact CZ3-CE2 3.79Å; W331-Y356 HydrophobicContact CZ3-CE2 3.79Å; L338-Y356 HydrophobicContact CD1-CD2 4.16Å; L338-Y356 HydrophobicContact CD1-CG 4.43Å; G352-Y356 WeakPolarHBondContact O-CB 3.46Å; G352-Y356 PolarHBondContact O-N 3.46Å; Y356-A358 PolarHBondContact O-N 3.3Å; Y356-I359 PolarHBondContact O-N 3.2Å; Y356-L360 HydrophobicContact CD1-CD1 3.88Å; Y356-L360 HydrophobicContact CE1-CD1 3.24Å; Y356-L360 HydrophobicContact CE1-CG 4.08Å; Y356-L360 HydrophobicContact CE2-CD1 4.37Å; Y356-L360 HydrophobicContact CE2-CG 4.42Å; Y356-L360 PolarHBondContact O-N 2.98Å; Y356-F448 HydrophobicContact CD2-CD1 4.34Å; Y356-F448 HydrophobicContact CD2-CE1 4.22Å; Y356-F448 AromaticContact CE2-CD1 3.57Å; Y356-F448 HydrophobicContact CE2-CD1 3.57Å; Y356-F448 AromaticContact CE2-CE1 3.9Å; Y356-F448 HydrophobicContact CE2-CE1 3.9Å; Y356-S451 VanDerWaalsContact OH-CB 3.23Å; Y356-S451 WeakPolarHBondContact OH-CB 3.36Å; Y356-S451 PolarHBondContact OH-OG 3.12Å; Y356-S451 VanDerWaalsContact OH-OG 3.13Å |
| 357 | G | 95.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 27% | 0.268 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | H353 K354 V355 L360 V361 | H353-G357 PolarHBondContact O-N 3.02Å; K354-G357 PolarHBondContact O-N 3.45Å; V355-G357 VanDerWaalsContact C-N 3.33Å; V355-G357 PolarHBondContact O-N 2.96Å; G357-L360 PolarHBondContact O-N 3.27Å; G357-V361 WeakPolarHBondContact O-CG2 3.38Å; G357-V361 PolarHBondContact O-N 3.26Å; G357-V361 VanDerWaalsContact O-N 3.09Å |
| 358 | A | 96.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 36 Ų | 36 | 12% | 0.116 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y305 V308 V309 K354 V355 Y356 V361 A362 | Y305-A358 HydrophobicContact CD2-CB 3.87Å; Y305-A358 HydrophobicContact CE2-CB 3.74Å; V308-A358 HydrophobicContact CB-CB 4.46Å; V308-A358 HydrophobicContact CG1-CB 3.92Å; V309-A358 HydrophobicContact CG2-CB 4.04Å; K354-A358 PolarHBondContact O-N 2.94Å; V355-A358 PolarHBondContact O-N 3.48Å; V355-A358 VanDerWaalsContact O-N 3.15Å; Y356-A358 PolarHBondContact O-N 3.3Å; A358-V361 PolarHBondContact O-N 2.98Å; A358-A362 WeakPolarHBondContact O-CB 2.99Å; A358-A362 PolarHBondContact O-N 3.2Å |
| 359 | I | 96 | Very high | 94 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 176.8 | -65.4 | 170.3 | 0 | 0 | 0 | 110.2 | V308 L323 L327 Y330 L334 V355 Y356 V361 A362 V363 F448 | V308-I359 HydrophobicContact CB-CG1 4.44Å; V308-I359 HydrophobicContact CG1-CB 4.5Å; V308-I359 HydrophobicContact CG1-CG1 3.83Å; V308-I359 HydrophobicContact CG2-CD1 4.38Å; V308-I359 HydrophobicContact CG2-CG1 3.77Å; L323-I359 HydrophobicContact CD2-CG2 4.3Å; L327-I359 HydrophobicContact CD1-CD1 4.46Å; L327-I359 HydrophobicContact CD1-CG2 3.86Å; Y330-I359 HydrophobicContact CD1-CD1 4.08Å; Y330-I359 HydrophobicContact CE1-CD1 3.76Å; L334-I359 HydrophobicContact CD2-CD1 4Å; V355-I359 HydrophobicContact CG1-CD1 3.86Å; V355-I359 HydrophobicContact CG1-CG1 4.37Å; V355-I359 WeakPolarHBondContact O-CG1 3.44Å; V355-I359 PolarHBondContact O-N 3.16Å; Y356-I359 PolarHBondContact O-N 3.2Å; I359-V361 VanDerWaalsContact C-N 3.33Å; I359-V361 PolarHBondContact O-N 3.25Å; I359-A362 PolarHBondContact O-N 3.11Å; I359-A362 VanDerWaalsContact O-N 3.12Å; I359-V363 HydrophobicContact CG2-CG2 4.03Å; I359-V363 WeakPolarHBondContact O-CB 3.37Å; I359-V363 VanDerWaalsContact O-CG2 3.3Å; I359-V363 WeakPolarHBondContact O-CG2 3.08Å; I359-V363 PolarHBondContact O-N 3.28Å; I359-F448 HydrophobicContact CB-CZ 4.49Å; I359-F448 HydrophobicContact CG2-CE1 3.98Å; I359-F448 HydrophobicContact CG2-CE2 4.38Å; I359-F448 HydrophobicContact CG2-CZ 3.43Å; I359-F448 VanDerWaalsContact CG2-CZ 3.43Å |
| 360 | L | 95 | Very high | 93.9 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.4 | -47 | 176.4 | -84.2 | 178.4 | 0 | 0 | 0 | 112.3 | Y356 G357 A362 V363 E364 F448 | Y356-L360 HydrophobicContact CD1-CD1 3.88Å; Y356-L360 HydrophobicContact CE1-CD1 3.24Å; Y356-L360 HydrophobicContact CE1-CG 4.08Å; Y356-L360 HydrophobicContact CE2-CD1 4.37Å; Y356-L360 HydrophobicContact CE2-CG 4.42Å; Y356-L360 PolarHBondContact O-N 2.98Å; G357-L360 PolarHBondContact O-N 3.27Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-A362 PolarHBondContact O-N 2.91Å; L360-V363 PolarHBondContact O-N 3.38Å; L360-E364 VanDerWaalsContact O-CB 3.27Å; L360-E364 WeakPolarHBondContact O-CB 3.43Å; L360-E364 PolarHBondContact O-N 3.16Å; L360-F448 HydrophobicContact CD2-CB 3.73Å; L360-F448 HydrophobicContact CD2-CD1 3.3Å; L360-F448 HydrophobicContact CD2-CD2 4.25Å; L360-F448 HydrophobicContact CD2-CE1 4.02Å; L360-F448 HydrophobicContact CD2-CG 3.48Å; L360-F448 VanDerWaalsContact CD2-CG 3.48Å; L360-F448 HydrophobicContact CG-CD1 3.86Å; L360-F448 HydrophobicContact CG-CE1 4.22Å; L360-F448 HydrophobicContact CG-CG 4.49Å |
| 361 | V | 95 | Very high | 93.7 | Very high | 63 Ų | 63 | 34 Ų | 34 | 38% | 0.382 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.4 | -38.4 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | G357 A358 I359 R365 | G357-V361 WeakPolarHBondContact O-CG2 3.38Å; G357-V361 PolarHBondContact O-N 3.26Å; G357-V361 VanDerWaalsContact O-N 3.09Å; A358-V361 PolarHBondContact O-N 2.98Å; I359-V361 VanDerWaalsContact C-N 3.33Å; I359-V361 PolarHBondContact O-N 3.25Å; V361-R365 WeakPolarHBondContact O-CB 3.46Å; V361-R365 PolarHBondContact O-N 2.92Å; V361-R365 VanDerWaalsContact O-N 3.11Å |
| 362 | A | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V308 H312 V319 L323 A358 I359 L360 R365 L366 | V308-A362 HydrophobicContact CG1-CB 4.31Å; H312-A362 HydrophobicContact CB-CB 4.21Å; H312-A362 WeakPolarHBondContact ND1-CA 3.22Å; V319-A362 HydrophobicContact CG1-CB 4.16Å; V319-A362 HydrophobicContact CG2-CB 4.3Å; L323-A362 HydrophobicContact CD2-CB 4.04Å; A358-A362 WeakPolarHBondContact O-CB 2.99Å; A358-A362 PolarHBondContact O-N 3.2Å; I359-A362 PolarHBondContact O-N 3.11Å; I359-A362 VanDerWaalsContact O-N 3.12Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-A362 PolarHBondContact O-N 2.91Å; A362-R365 PolarHBondContact O-N 3.45Å; A362-L366 WeakPolarHBondContact O-CB 3.22Å; A362-L366 PolarHBondContact O-N 3.42Å |
| 363 | V | 94.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.5 | -43 | 178.5 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | I359 L360 R365 L366 L367 L444 F448 L452 | I359-V363 HydrophobicContact CG2-CG2 4.03Å; I359-V363 WeakPolarHBondContact O-CB 3.37Å; I359-V363 VanDerWaalsContact O-CG2 3.3Å; I359-V363 WeakPolarHBondContact O-CG2 3.08Å; I359-V363 PolarHBondContact O-N 3.28Å; L360-V363 PolarHBondContact O-N 3.38Å; V363-R365 VanDerWaalsContact C-N 3.33Å; V363-R365 PolarHBondContact O-N 3.48Å; V363-L366 WeakPolarHBondContact O-CB 3.45Å; V363-L366 PolarHBondContact O-N 3.16Å; V363-L367 HydrophobicContact CG1-CD1 4.13Å; V363-L367 WeakPolarHBondContact O-CG 3.46Å; V363-L367 PolarHBondContact O-N 3.36Å; V363-L444 HydrophobicContact CG1-CB 4.21Å; V363-L444 HydrophobicContact CG1-CD1 3.52Å; V363-L444 HydrophobicContact CG1-CD2 3.79Å; V363-L444 HydrophobicContact CG1-CG 4.04Å; V363-L444 HydrophobicContact CG2-CD2 3.99Å; V363-F448 HydrophobicContact CG1-CE2 4.42Å; V363-F448 HydrophobicContact CG2-CE2 4.05Å; V363-F448 HydrophobicContact CG2-CZ 4.44Å; V363-L452 HydrophobicContact CG1-CD1 3.99Å |
| 364 | E | 93.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 16% | 0.159 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 174.8 | -178.4 | -168.3 | 153 | 0 | 0 | 110.6 | L360 L366 L367 K368 R455 F456 | L360-E364 VanDerWaalsContact O-CB 3.27Å; L360-E364 WeakPolarHBondContact O-CB 3.43Å; L360-E364 PolarHBondContact O-N 3.16Å; E364-L366 VanDerWaalsContact C-N 3.34Å; E364-L366 PolarHBondContact O-N 3.37Å; E364-L367 PolarHBondContact O-N 3.42Å; E364-K368 HydrophobicContact CG-CD 4.19Å; E364-K368 WeakPolarHBondContact O-CG 3.25Å; E364-K368 PolarHBondContact O-N 3.41Å; E364-K368 WeakPolarHBondContact OE1-CE 3.36Å; E364-K368 IonicContact OE1-NZ 2.93Å; E364-K368 PolarHBondContact OE1-NZ 3.05Å; E364-R455 HydrophobicContact CG-CB 4.08Å; E364-R455 WeakPolarHBondContact OE2-CD 3.37Å; E364-R455 IonicContact OE2-NE 2.68Å; E364-F456 HydrophobicContact CG-CZ 4.29Å |
| 365 | R | 92.3 | Very high | 91.6 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 32% | 0.317 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 178 | -170.4 | 170.2 | -174.2 | 170.7 | -0.4 | 111.9 | H312 V361 A362 V363 M369 P399 | H312-R365 WeakPolarHBondContact CE1-CD 3.41Å; H312-R365 PolarHBondContact NE2-NH1 2.93Å; V361-R365 WeakPolarHBondContact O-CB 3.46Å; V361-R365 PolarHBondContact O-N 2.92Å; V361-R365 VanDerWaalsContact O-N 3.11Å; A362-R365 PolarHBondContact O-N 3.45Å; V363-R365 VanDerWaalsContact C-N 3.33Å; V363-R365 PolarHBondContact O-N 3.48Å; R365-M369 HydrophobicContact CG-CG 4.05Å; R365-M369 VanDerWaalsContact O-CB 3.31Å; R365-M369 WeakPolarHBondContact O-CB 3.32Å; R365-M369 WeakPolarHBondContact O-CG 3.41Å; R365-M369 PolarHBondContact O-N 3.4Å; R365-P399 PolarHBondContact NH2-O 3.16Å |
| 366 | L | 93.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.1 | -54.4 | 174.3 | 167.1 | 61.2 | 0 | 0 | 0 | 111 | W316 V319 E320 A362 V363 E364 M369 K370 M440 | W316-L366 HydrophobicContact CB-CD1 4.37Å; W316-L366 HydrophobicContact CE3-CD1 3.9Å; V319-L366 HydrophobicContact CG1-CB 4.25Å; V319-L366 HydrophobicContact CG1-CD2 4.15Å; E320-L366 HydrophobicContact CB-CD1 3.7Å; E320-L366 HydrophobicContact CG-CD1 4.23Å; A362-L366 WeakPolarHBondContact O-CB 3.22Å; A362-L366 PolarHBondContact O-N 3.42Å; V363-L366 WeakPolarHBondContact O-CB 3.45Å; V363-L366 PolarHBondContact O-N 3.16Å; E364-L366 VanDerWaalsContact C-N 3.34Å; E364-L366 PolarHBondContact O-N 3.37Å; L366-M369 PolarHBondContact O-N 3.25Å; L366-K370 VanDerWaalsContact O-CB 3.24Å; L366-K370 WeakPolarHBondContact O-CB 3.27Å; L366-K370 PolarHBondContact O-N 2.97Å; L366-M440 HydrophobicContact CD2-SD 4.12Å; L366-M440 HydrophobicContact CG-SD 4.36Å |
| 367 | L | 92.8 | Very high | 86.9 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | -178.2 | -70.9 | 169.1 | 0 | 0 | 0 | 112 | V363 E364 K370 A371 M440 Y441 L444 L452 F456 | V363-L367 HydrophobicContact CG1-CD1 4.13Å; V363-L367 WeakPolarHBondContact O-CG 3.46Å; V363-L367 PolarHBondContact O-N 3.36Å; E364-L367 PolarHBondContact O-N 3.42Å; L367-K370 PolarHBondContact O-N 3.4Å; L367-A371 WeakPolarHBondContact O-CB 3.34Å; L367-A371 PolarHBondContact O-N 3.34Å; L367-M440 HydrophobicContact CD2-CG 4.19Å; L367-M440 HydrophobicContact CD2-SD 4.45Å; L367-Y441 HydrophobicContact CD1-CD2 3.89Å; L367-Y441 HydrophobicContact CD1-CE2 4.49Å; L367-L444 HydrophobicContact CD1-CD1 4.07Å; L367-L444 HydrophobicContact CD2-CD1 4.04Å; L367-L444 HydrophobicContact CG-CD1 4.12Å; L367-L452 HydrophobicContact CD1-CD1 4.28Å; L367-L452 HydrophobicContact CD1-CD2 4.26Å; L367-F456 HydrophobicContact CB-CE1 4.2Å; L367-F456 HydrophobicContact CB-CZ 3.73Å; L367-F456 HydrophobicContact CD1-CE2 3.92Å; L367-F456 HydrophobicContact CD1-CZ 3.66Å; L367-F456 HydrophobicContact CG-CZ 4.37Å |
| 368 | K | 91.9 | Very high | 84.2 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 177.1 | -73.1 | 179.8 | 176.8 | 176.4 | 0 | 111.7 | E364 A371 L372 F456 | E364-K368 HydrophobicContact CG-CD 4.19Å; E364-K368 WeakPolarHBondContact O-CG 3.25Å; E364-K368 PolarHBondContact O-N 3.41Å; E364-K368 WeakPolarHBondContact OE1-CE 3.36Å; E364-K368 IonicContact OE1-NZ 2.93Å; E364-K368 PolarHBondContact OE1-NZ 3.05Å; K368-A371 PolarHBondContact O-N 2.97Å; K368-L372 VanDerWaalsContact O-CG 3.31Å; K368-L372 WeakPolarHBondContact O-CG 3.49Å; K368-L372 PolarHBondContact O-N 2.75Å; K368-F456 HydrophobicContact CG-CE1 3.81Å |
| 369 | M | 91 | Very high | 81.3 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 22% | 0.217 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.8 | -34.7 | -178 | -66.7 | -60.5 | -63.9 | 0 | 0 | 112.6 | W316 R365 L366 L372 S373 | W316-M369 HydrophobicContact CB-CB 3.93Å; W316-M369 HydrophobicContact CB-CG 4.3Å; W316-M369 HydrophobicContact CD2-CB 3.98Å; W316-M369 HydrophobicContact CG-CB 3.55Å; W316-M369 HydrophobicContact CG-CG 4.18Å; R365-M369 HydrophobicContact CG-CG 4.05Å; R365-M369 VanDerWaalsContact O-CB 3.31Å; R365-M369 WeakPolarHBondContact O-CB 3.32Å; R365-M369 WeakPolarHBondContact O-CG 3.41Å; R365-M369 PolarHBondContact O-N 3.4Å; L366-M369 PolarHBondContact O-N 3.25Å; M369-L372 PolarHBondContact O-N 3.37Å; M369-L372 HydrophobicContact SD-CD1 4.15Å; M369-S373 PolarHBondContact O-N 2.87Å; M369-S373 PolarHBondContact O-OG 3.08Å |
| 370 | K | 88.9 | Confident | 78.5 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 8% | 0.078 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.6 | -33.8 | 175.4 | -168.5 | 172.8 | 178.3 | 169.3 | 0 | 112.2 | W316 E320 L366 L367 S373 L374 V435 L437 M440 | W316-K370 HydrophobicContact CE3-CB 4.41Å; W316-K370 HydrophobicContact CZ3-CB 4.15Å; W316-K370 HydrophobicContact CZ3-CG 4.23Å; E320-K370 WeakPolarHBondContact OE1-CE 3.5Å; E320-K370 IonicContact OE1-NZ 3.9Å; E320-K370 PolarHBondContact OE1-NZ 3.46Å; L366-K370 VanDerWaalsContact O-CB 3.24Å; L366-K370 WeakPolarHBondContact O-CB 3.27Å; L366-K370 PolarHBondContact O-N 2.97Å; L367-K370 PolarHBondContact O-N 3.4Å; K370-S373 PolarHBondContact O-OG 3.2Å; K370-L374 WeakPolarHBondContact O-CG 3.33Å; K370-L374 PolarHBondContact O-N 2.84Å; K370-V435 PolarHBondContact NZ-O 2.76Å; K370-L437 HydrophobicContact CB-CD1 3.93Å; K370-L437 HydrophobicContact CD-CD1 4.41Å; K370-L437 HydrophobicContact CG-CD1 3.94Å; K370-M440 HydrophobicContact CD-CE 4.33Å; K370-M440 HydrophobicContact CD-SD 3.91Å |
| 371 | A | 88.5 | Confident | 75.5 | Confident | 48 Ų | 48 | 71 Ų | 71 | 40% | 0.397 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L367 K368 S373 L374 S375 L437 | L367-A371 WeakPolarHBondContact O-CB 3.34Å; L367-A371 PolarHBondContact O-N 3.34Å; K368-A371 PolarHBondContact O-N 2.97Å; A371-S373 PolarHBondContact O-N 3.19Å; A371-L374 PolarHBondContact O-N 2.88Å; A371-S375 PolarHBondContact O-N 2.93Å; A371-L437 HydrophobicContact CB-CD1 3.93Å |
| 372 | L | 89.6 | Confident | 72.4 | Confident | 97 Ų | 97 | 73.5 Ų | 73.5 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177 | -71.7 | 170.8 | 0 | 0 | 0 | 112.4 | K368 M369 L374 S375 Q376 | K368-L372 VanDerWaalsContact O-CG 3.31Å; K368-L372 WeakPolarHBondContact O-CG 3.49Å; K368-L372 PolarHBondContact O-N 2.75Å; M369-L372 PolarHBondContact O-N 3.37Å; M369-L372 HydrophobicContact SD-CD1 4.15Å; L372-L374 VanDerWaalsContact C-N 3.32Å; L372-L374 PolarHBondContact O-N 3.33Å; L372-S375 WeakPolarHBondContact CA-OG 3.47Å; L372-S375 PolarHBondContact O-N 3.13Å; L372-S375 VanDerWaalsContact O-N 3.16Å; L372-S375 PolarHBondContact O-OG 2.87Å; L372-Q376 PolarHBondContact O-N 3.18Å |
| 373 | S | 87 | Confident | 69.1 | Low | 51 Ų | 51 | 79 Ų | 79 | 36% | 0.357 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -31 | 179.3 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | M369 K370 A371 S375 | M369-S373 PolarHBondContact O-N 2.87Å; M369-S373 PolarHBondContact O-OG 3.08Å; K370-S373 PolarHBondContact O-OG 3.2Å; A371-S373 PolarHBondContact O-N 3.19Å; S373-S375 VanDerWaalsContact C-N 3.33Å |
| 374 | L | 82.3 | Confident | 66 | Low | 122 Ų | 122 | 83.6 Ų | 83.6 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -74.8 | -22.6 | 173.4 | -68.6 | 168.4 | 0 | 0 | 0 | 113 | K370 A371 L372 L437 | K370-L374 WeakPolarHBondContact O-CG 3.33Å; K370-L374 PolarHBondContact O-N 2.84Å; A371-L374 PolarHBondContact O-N 2.88Å; L372-L374 VanDerWaalsContact C-N 3.32Å; L372-L374 PolarHBondContact O-N 3.33Å; L374-L437 HydrophobicContact CD1-CB 4.09Å; L374-L437 HydrophobicContact CD1-CD1 4.21Å |
| 375 | S | 71.4 | Confident | 62.9 | Low | 83 Ų | 83 | 91 Ų | 91 | 58% | 0.58 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -84.7 | -10.5 | 180 | 71.3 | 0 | 0 | 0 | 0 | 114.6 | A371 L372 S373 P377 | A371-S375 PolarHBondContact O-N 2.93Å; L372-S375 WeakPolarHBondContact CA-OG 3.47Å; L372-S375 PolarHBondContact O-N 3.13Å; L372-S375 VanDerWaalsContact O-N 3.16Å; L372-S375 PolarHBondContact O-OG 2.87Å; S373-S375 VanDerWaalsContact C-N 3.33Å; S375-P377 WeakPolarHBondContact O-CD 3.49Å |
| 376 | Q | 53.6 | Low | 60.2 | Low | 148 Ų | 148 | 92.8 Ų | 92.8 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -80.6 | 119 | 173.6 | -70.8 | -171.3 | -0.6 | 0 | 0 | 109.6 | L372 A378 | L372-Q376 PolarHBondContact O-N 3.18Å; Q376-A378 PolarHBondContact O-N 3.02Å |
| 377 | P | 40 | Very low | 56.9 | Low | 114 Ų | 114 | 96.3 Ų | 96.3 | 74% | 0.74 | 61% | 0.608 | S | S | * | * | trans | -64.9 | 134.6 | 174.6 | 26.2 | -31 | 0 | 0 | 0 | 109.5 | S375 E379 | S375-P377 WeakPolarHBondContact O-CD 3.49Å; P377-E379 PolarHBondContact O-N 3.14Å | ||
| 378 | A | 39.6 | Very low | 53.7 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | trans | -63.9 | 93.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q376 G380 | Q376-A378 PolarHBondContact O-N 3.02Å; A378-G380 VanDerWaalsContact C-N 3.28Å; A378-G380 PolarHBondContact O-N 3.26Å | ||
| 379 | E | 35.5 | Very low | 50.6 | Low | 199 Ų | 199 | 101.5 Ų | 101.5 | 93% | 0.93 | 67% | 0.668 | S | S | * | * | trans | -70.5 | 92 | 164.7 | -78.3 | -162.6 | 158.7 | 0 | 0 | 108.8 | P377 | P377-E379 PolarHBondContact O-N 3.14Š| ||
| 380 | G | 35.6 | Very low | 47.5 | Very low | 59 Ų | 59 | 103.3 Ų | 103.3 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | trans | -123.5 | 123.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A378 | A378-G380 VanDerWaalsContact C-N 3.28Å; A378-G380 PolarHBondContact O-N 3.26Å | ||
| 381 | S | 32.1 | Very low | 44.5 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | trans | 84.4 | 97.9 | 158.9 | 74.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 382 | S | 30.7 | Very low | 41.6 | Very low | 114 Ų | 114 | 113 Ų | 113 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | -162 | 128.9 | 128 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 383 | S | 27.1 | Very low | 38.6 | Very low | 116 Ų | 116 | 111.4 Ų | 111.4 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 38.9 | 123.4 | 155 | 57.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 384 | A | 29.6 | Very low | 35.6 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -60.7 | 138.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 385 | Q | 27.3 | Very low | 32.9 | Very low | 190 Ų | 190 | 124.1 Ų | 124.1 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | -158.6 | 152.5 | 121.9 | -93.6 | -137.5 | -49.9 | 0 | 0 | 112.1 | |||||
| 386 | P | 36.2 | Very low | 30.7 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -99.3 | 143.4 | -170.6 | 36.9 | -28.8 | 0 | 0 | 0 | 112.8 | ||||
| 387 | G | 24.5 | Very low | 29.6 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 175.4 | 105.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 388 | S | 25.9 | Very low | 29.2 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | 75.6 | 129.3 | 145.3 | -152.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 389 | G | 25.3 | Very low | 28.9 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | 106.1 | 93.7 | 144 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 390 | G | 27 | Very low | 29.1 | Very low | 81 Ų | 81 | 115.2 Ų | 115.2 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -66.8 | 141.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 391 | V | 25.8 | Very low | 29.2 | Very low | 141 Ų | 141 | 119.2 Ų | 119.2 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -135.1 | 117 | 150.9 | 177 | 0 | 0 | 0 | 0 | 106.7 | G393 | V391-G393 PolarHBondContact O-N 3.37Å; V391-G393 VanDerWaalsContact O-N 3.15Å | ||
| 392 | M | 28.6 | Very low | 30 | Very low | 128 Ų | 128 | 115 Ų | 115 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | trans | -77.6 | 97.7 | -177.6 | -163.9 | 162.5 | 175.9 | 0 | 0 | 109.8 | F394 L637 | M392-F394 PolarHBondContact O-N 3.33Å; M392-L637 HydrophobicContact CE-CB 3.86Å; M392-L637 HydrophobicContact CE-CD1 3.59Å; M392-L637 HydrophobicContact CE-CD2 3.27Å; M392-L637 HydrophobicContact CE-CG 3.67Å; M392-L637 HydrophobicContact SD-CB 3.75Å; M392-L637 HydrophobicContact SD-CD1 3.19Å; M392-L637 WeakPolarHBondContact SD-CD1 3.47Å; M392-L637 HydrophobicContact SD-CD2 4.08Å; M392-L637 HydrophobicContact SD-CG 3.77Å | ||
| 393 | G | 25.3 | Very low | 30.4 | Very low | 65 Ų | 65 | 111.4 Ų | 111.4 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | trans | -79.8 | 112.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | V391 R395 | V391-G393 PolarHBondContact O-N 3.37Å; V391-G393 VanDerWaalsContact O-N 3.15Å; G393-R395 PolarHBondContact O-N 3.17Å | ||
| 394 | F | 24.1 | Very low | 30.9 | Very low | 197 Ų | 197 | 110.8 Ų | 110.8 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -47.3 | 121.5 | 163.1 | -91.5 | -102 | 0 | 0 | 0 | 110.2 | M392 V396 | M392-F394 PolarHBondContact O-N 3.33Å; F394-V396 PolarHBondContact O-N 3.06Å | ||
| 395 | R | 26.5 | Very low | 31.2 | Very low | 242 Ų | 242 | 111.8 Ų | 111.8 | 91% | 0.913 | 70% | 0.701 | S | S | * | * | trans | -66.8 | 98.6 | 168.4 | -80.9 | -170.5 | 176 | -160.5 | 0.5 | 108.7 | G393 S397 | G393-R395 PolarHBondContact O-N 3.17Å; R395-S397 PolarHBondContact O-N 3.48Å | ||
| 396 | V | 25.4 | Very low | 31.7 | Very low | 124 Ų | 124 | 108.8 Ų | 108.8 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | -74.2 | 105.7 | 160.7 | 176.8 | 0 | 0 | 0 | 0 | 107 | F394 S398 | F394-V396 PolarHBondContact O-N 3.06Å; V396-S398 PolarHBondContact O-N 3.18Å | ||
| 397 | S | 30.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 108.8 Ų | 108.8 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | trans | -58.5 | 98 | 173.7 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | R395 | R395-S397 PolarHBondContact O-N 3.48Š| ||
| 398 | S | 30.6 | Very low | 31.6 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | trans | -85.4 | 125.1 | 169.3 | -66 | 0 | 0 | 0 | 0 | 109.2 | V396 G400 | V396-S398 PolarHBondContact O-N 3.18Å; S398-G400 VanDerWaalsContact C-N 3.31Å; S398-G400 PolarHBondContact O-N 2.74Å | ||
| 399 | P | 33.5 | Very low | 32 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 82.2 | 178.8 | 30.2 | -32.1 | 0 | 0 | 0 | 109.7 | R365 | R365-P399 PolarHBondContact NH2-O 3.16Š|
| 400 | G | 38.8 | Very low | 32 | Very low | 27 Ų | 27 | 118.1 Ų | 118.1 | 28% | 0.278 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -174.2 | -5.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | S398 | S398-G400 VanDerWaalsContact C-N 3.31Å; S398-G400 PolarHBondContact O-N 2.74Å |
| 401 | L | 39.1 | Very low | 32.1 | Very low | 142 Ų | 142 | 118.3 Ų | 118.3 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -93 | 144.7 | 176.2 | -64.7 | 176.7 | 0 | 0 | 0 | 110.5 | W273 | W273-L401 WeakPolarHBondContact CH2-O 3.5Å; W273-L401 WeakPolarHBondContact CZ2-O 3.37Å |
| 402 | S | 48.3 | Very low | 32.3 | Very low | 38 Ų | 38 | 116.2 Ų | 116.2 | 27% | 0.266 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 155 | 179.1 | -44.3 | 0 | 0 | 0 | 0 | 111.2 | K317 | K317-S402 VanDerWaalsContact CD-OG 3.22Å; K317-S402 WeakPolarHBondContact CD-OG 3.45Å; K317-S402 WeakPolarHBondContact CE-OG 3.46Å; K317-S402 PolarHBondContact NZ-OG 3.04Å |
| 403 | P | 40 | Very low | 32.8 | Very low | 38 Ų | 38 | 118.7 Ų | 118.7 | 25% | 0.247 | 70% | 0.701 | C | S | . | * | P | Polyproline II helix | trans | -68.3 | 147.5 | 171 | 28.5 | -27.9 | 0 | 0 | 0 | 107.9 | F272 W273 | F272-P403 HydrophobicContact CE1-CB 4.25Å; F272-P403 HydrophobicContact CE1-CG 4.09Å; F272-P403 HydrophobicContact CZ-CB 4.1Å; F272-P403 HydrophobicContact CZ-CG 3.99Å; W273-P403 HydrophobicContact CH2-CB 3.99Å; W273-P403 HydrophobicContact CH2-CG 4.05Å; W273-P403 HydrophobicContact CZ3-CB 3.76Å; W273-P403 HydrophobicContact CZ3-CG 4.33Å |
| 404 | P | 36.1 | Very low | 33.2 | Very low | 102 Ų | 102 | 118 Ų | 118 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 149.7 | 172.7 | 24.8 | -31.4 | 0 | 0 | 0 | 109.8 | E406 | P404-E406 PolarHBondContact O-N 3.15Š|
| 405 | P | 35.6 | Very low | 33.9 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56 | 134.2 | 173.2 | 24.2 | -31.4 | 0 | 0 | 0 | 109.3 | ||
| 406 | E | 39 | Very low | 34.2 | Very low | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.593 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -54 | 133.2 | 174.8 | -74.1 | -175.1 | 152.7 | 0 | 0 | 108.7 | G281 P404 L408 | G281-E406 PolarHBondContact N-OE1 3.14Å; P404-E406 PolarHBondContact O-N 3.15Å; E406-L408 PolarHBondContact O-N 3.45Å; E406-L408 VanDerWaalsContact O-N 3.08Å |
| 407 | P | 29.3 | Very low | 34.6 | Very low | 121 Ų | 121 | 109.2 Ų | 109.2 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 120 | 170.2 | 24.4 | -29.8 | 0 | 0 | 0 | 107.4 | S409 | P407-S409 PolarHBondContact O-N 3.1Å; P407-S409 VanDerWaalsContact O-N 3.1Å |
| 408 | L | 30 | Very low | 34.9 | Very low | 166 Ų | 166 | 111.3 Ų | 111.3 | 87% | 0.869 | 69% | 0.685 | S | S | * | * | trans | -42.5 | 122.2 | 167.6 | -72.4 | 164.6 | 0 | 0 | 0 | 107.5 | E406 E410 | E406-L408 PolarHBondContact O-N 3.45Å; E406-L408 VanDerWaalsContact O-N 3.08Å; L408-E410 PolarHBondContact O-N 3.46Å | ||
| 409 | S | 32.3 | Very low | 35.2 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | trans | -47.6 | 113.6 | 177.2 | -73.3 | 0 | 0 | 0 | 0 | 108.4 | P407 A411 | P407-S409 PolarHBondContact O-N 3.1Å; P407-S409 VanDerWaalsContact O-N 3.1Å; S409-A411 PolarHBondContact O-N 3.08Å; S409-A411 VanDerWaalsContact O-N 3.15Å | ||
| 410 | E | 26.6 | Very low | 35.2 | Very low | 188 Ų | 188 | 118.1 Ų | 118.1 | 88% | 0.879 | 70% | 0.702 | S | S | * | * | trans | -52.1 | 125.5 | 173.2 | -84 | -175.5 | 146.1 | 0 | 0 | 107.5 | L408 A412 | L408-E410 PolarHBondContact O-N 3.46Å; E410-A412 PolarHBondContact O-N 3.44Å | ||
| 411 | A | 28.7 | Very low | 34.8 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | -48.5 | 114.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | S409 L413 | S409-A411 PolarHBondContact O-N 3.08Å; S409-A411 VanDerWaalsContact O-N 3.15Å; A411-L413 VanDerWaalsContact C-N 3.29Å; A411-L413 PolarHBondContact O-N 3.46Å | ||
| 412 | A | 29.4 | Very low | 34.5 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 79% | 0.793 | 73% | 0.728 | S | S | * | * | trans | -60 | 99.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | E410 G414 | E410-A412 PolarHBondContact O-N 3.44Å; A412-G414 PolarHBondContact O-N 2.87Å | ||
| 413 | L | 39.9 | Very low | 33.8 | Very low | 181 Ų | 181 | 121.7 Ų | 121.7 | 95% | 0.948 | 75% | 0.752 | S | S | * | * | trans | -68.7 | 72.3 | 163.3 | -74.3 | 169.3 | 0 | 0 | 0 | 107.6 | A411 | A411-L413 VanDerWaalsContact C-N 3.29Å; A411-L413 PolarHBondContact O-N 3.46Å | ||
| 414 | G | 33.9 | Very low | 33.2 | Very low | 51 Ų | 51 | 123.7 Ų | 123.7 | 53% | 0.526 | 78% | 0.78 | S | S | . | * | trans | -117.1 | 133 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | A412 A416 | A412-G414 PolarHBondContact O-N 2.87Å; G414-A416 PolarHBondContact O-N 3.43Å | ||
| 415 | I | 37.8 | Very low | 32.9 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 94% | 0.938 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -65.7 | 89.8 | -171.8 | -57 | 161.8 | 0 | 0 | 0 | 109.7 | ||
| 416 | A | 33.6 | Very low | 32.6 | Very low | 73 Ų | 73 | 121.2 Ų | 121.2 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | trans | -155.8 | 50.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G414 H418 | G414-A416 PolarHBondContact O-N 3.43Å; A416-H418 VanDerWaalsContact C-N 3.29Å; A416-H418 PolarHBondContact O-N 2.81Å | ||
| 417 | S | 33.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 31.4 | -174.4 | -35.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 418 | H | 37.2 | Very low | 32.9 | Very low | 158 Ų | 158 | 119.4 Ų | 119.4 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 15.4 | -174.3 | 70.9 | -86.5 | 0 | 0 | 0 | 117.1 | A416 | A416-H418 VanDerWaalsContact C-N 3.29Å; A416-H418 PolarHBondContact O-N 2.81Å |
| 419 | L | 35.7 | Very low | 33.5 | Very low | 156 Ų | 156 | 115.2 Ų | 115.2 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | -134.8 | 66.6 | 168.8 | -72.9 | 172.5 | 0 | 0 | 0 | 110.9 | ||||
| 420 | Q | 34.4 | Very low | 33.9 | Very low | 185 Ų | 185 | 116.2 Ų | 116.2 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -122.3 | 101.4 | 160.9 | -125.4 | 108 | 26.8 | 0 | 0 | 107.9 | ||||
| 421 | G | 29.8 | Very low | 34.6 | Very low | 62 Ų | 62 | 114.6 Ų | 114.6 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | -73.6 | 156.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G423 | G421-G423 PolarHBondContact O-N 3.09Š| ||
| 422 | P | 33.9 | Very low | 35.8 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 94% | 0.935 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -77.5 | 110.6 | -179.3 | 31.1 | -29.8 | 0 | 0 | 0 | 109.3 | ||
| 423 | G | 31.8 | Very low | 37.3 | Very low | 75 Ų | 75 | 115.6 Ų | 115.6 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | 163.6 | 52.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | G421 A425 | G421-G423 PolarHBondContact O-N 3.09Å; G423-A425 PolarHBondContact O-N 3.24Å | ||
| 424 | G | 28.9 | Very low | 38.6 | Very low | 81 Ų | 81 | 112.1 Ų | 112.1 | 84% | 0.835 | 71% | 0.714 | S | S | * | * | trans | -82.4 | 99.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G426 | G424-G426 PolarHBondContact O-N 2.98Š| ||
| 425 | A | 30.1 | Very low | 40.9 | Very low | 102 Ų | 102 | 111.5 Ų | 111.5 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | -63.1 | 112.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | G423 | G423-A425 PolarHBondContact O-N 3.24Š| ||
| 426 | G | 28.1 | Very low | 43.2 | Very low | 69 Ų | 69 | 107 Ų | 107 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | trans | -56.9 | 138.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G424 | G424-G426 PolarHBondContact O-N 2.98Š| ||
| 427 | T | 35.8 | Very low | 45.7 | Very low | 91 Ų | 91 | 105.7 Ų | 105.7 | 56% | 0.558 | 67% | 0.665 | S | S | * | * | trans | -55.4 | 131.8 | 165 | 30.8 | 0 | 0 | 0 | 0 | 109.1 | W429 | T427-W429 PolarHBondContact O-N 2.72Š| ||
| 428 | P | 39.3 | Very low | 48.3 | Very low | 118 Ų | 118 | 104.2 Ų | 104.2 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 14.5 | -174.7 | 26.6 | -33.7 | 0 | 0 | 0 | 114.7 | ||
| 429 | W | 42.7 | Very low | 50.7 | Low | 78 Ų | 78 | 99 Ų | 99 | 30% | 0.295 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.2 | -18.7 | -172.9 | -69.2 | 81 | 0 | 0 | 0 | 113.5 | H284 L288 T427 D431 | H284-W429 AromaticContact CE1-CD2 3.83Å; H284-W429 AromaticContact CE1-CE2 3.61Å; H284-W429 AromaticContact CE1-NE1 3.71Å; L288-W429 HydrophobicContact CD2-CH2 4.33Å; L288-W429 HydrophobicContact CD2-CZ2 3.43Å; L288-W429 VanDerWaalsContact CD2-CZ2 3.43Å; L288-W429 HydrophobicContact CG-CZ2 4.04Å; T427-W429 PolarHBondContact O-N 2.72Å; W429-D431 VanDerWaalsContact C-N 3.34Å |
| 430 | D | 40.5 | Very low | 53.3 | Low | 143 Ų | 143 | 91.6 Ų | 91.6 | 77% | 0.765 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -85.9 | -5.2 | -178.3 | -73.1 | -54.7 | 0 | 0 | 0 | 113.7 | ||
| 431 | D | 41.5 | Very low | 56.1 | Low | 154 Ų | 154 | 86.5 Ų | 86.5 | 82% | 0.824 | 57% | 0.572 | S | S | * | * | trans | -106.4 | 27.9 | -172.9 | -118.5 | 0.2 | 0 | 0 | 0 | 113.3 | W429 | W429-D431 VanDerWaalsContact C-N 3.34Š| ||
| 432 | W | 53.8 | Low | 59 | Low | 92 Ų | 92 | 87.6 Ų | 87.6 | 35% | 0.348 | 57% | 0.569 | S | S | . | * | trans | -92.8 | 111.3 | 177 | -143.9 | 75.5 | 0 | 0 | 0 | 111.4 | E320 Y324 P325 | E320-W432 HydrophobicContact CG-CH2 3.91Å; E320-W432 HydrophobicContact CG-CZ3 3.78Å; E320-W432 VanDerWaalsContact O-CH2 3.31Å; E320-W432 WeakPolarHBondContact O-CH2 3.31Å; Y324-W432 AromaticContact CD1-CH2 3.57Å; Y324-W432 HydrophobicContact CD1-CH2 3.57Å; Y324-W432 AromaticContact CD1-CZ2 3.63Å; Y324-W432 HydrophobicContact CD1-CZ2 3.63Å; Y324-W432 AromaticContact CE1-CH2 3.99Å; Y324-W432 HydrophobicContact CE1-CH2 3.99Å; Y324-W432 HydrophobicContact CE1-CZ2 4.13Å; P325-W432 HydrophobicContact CB-CZ2 4.07Å; P325-W432 HydrophobicContact CG-CZ2 3.85Å | ||
| 433 | T | 60.7 | Low | 61.7 | Low | 111 Ų | 111 | 84 Ų | 84 | 68% | 0.681 | 54% | 0.54 | S | S | * | . | trans | -83.9 | 125.7 | 177.5 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | V435 | T433-V435 PolarHBondContact O-N 2.97Å; T433-V435 VanDerWaalsContact O-N 3.14Å | ||
| 434 | P | 68 | Low | 64.6 | Low | 107 Ų | 107 | 80.4 Ų | 80.4 | 70% | 0.695 | 50% | 0.503 | S | S | * | . | trans | -67.8 | 115.3 | -179.2 | 24 | -30.9 | 0 | 0 | 0 | 110.8 | ||||
| 435 | V | 81.1 | Confident | 67.6 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 24% | 0.236 | 48% | 0.48 | C | S | . | . | trans | -71.3 | 134.4 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | Y324 K370 T433 A439 M440 | Y324-V435 HydrophobicContact CE1-CB 4.42Å; Y324-V435 HydrophobicContact CE1-CG2 4.03Å; K370-V435 PolarHBondContact NZ-O 2.76Å; T433-V435 PolarHBondContact O-N 2.97Å; T433-V435 VanDerWaalsContact O-N 3.14Å; V435-A439 HydrophobicContact CG1-CB 3.83Å; V435-M440 HydrophobicContact CB-CE 4.05Å; V435-M440 HydrophobicContact CG1-CB 4.24Å | ||
| 436 | P | 85.9 | Confident | 70.5 | Confident | 88 Ų | 88 | 80.1 Ų | 80.1 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | trans | -56.2 | 142.2 | 173.5 | -24.9 | 33.8 | 0 | 0 | 0 | 112.3 | P438 A439 M440 | P436-P438 VanDerWaalsContact C-CD 3.49Å; P436-A439 HydrophobicContact CB-CB 4.5Å; P436-A439 PolarHBondContact O-N 2.86Å; P436-A439 VanDerWaalsContact O-N 3.12Å; P436-M440 PolarHBondContact O-N 3.46Å | ||
| 437 | L | 87.7 | Confident | 73.4 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -55.6 | -40.2 | -177.4 | -176.3 | 139.1 | 0 | 0 | 0 | 114.1 | K370 A371 L374 M440 Y441 | K370-L437 HydrophobicContact CB-CD1 3.93Å; K370-L437 HydrophobicContact CD-CD1 4.41Å; K370-L437 HydrophobicContact CG-CD1 3.94Å; A371-L437 HydrophobicContact CB-CD1 3.93Å; L374-L437 HydrophobicContact CD1-CB 4.09Å; L374-L437 HydrophobicContact CD1-CD1 4.21Å; L437-M440 PolarHBondContact O-N 3.26Å; L437-Y441 PolarHBondContact O-N 3.4Å |
| 438 | P | 87.1 | Confident | 76.1 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 58% | 0.584 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 175.9 | -23.7 | 34.9 | 0 | 0 | 0 | 113.3 | P436 Y441 C442 | P436-P438 VanDerWaalsContact C-CD 3.49Å; P438-Y441 PolarHBondContact O-N 3.17Å; P438-C442 PolarHBondContact O-N 2.94Å; P438-C442 PolarHBondContact O-SG 3.4Å |
| 439 | A | 88.8 | Confident | 78.5 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 41% | 0.405 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V435 P436 Y441 C442 E443 | V435-A439 HydrophobicContact CG1-CB 3.83Å; P436-A439 HydrophobicContact CB-CB 4.5Å; P436-A439 PolarHBondContact O-N 2.86Å; P436-A439 VanDerWaalsContact O-N 3.12Å; A439-Y441 VanDerWaalsContact C-N 3.34Å; A439-Y441 PolarHBondContact O-N 2.95Å; A439-C442 PolarHBondContact O-N 3.34Å; A439-E443 PolarHBondContact O-N 3.49Å |
| 440 | M | 90.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 174.5 | -179.9 | 173.6 | -65.7 | 0 | 0 | 112 | E320 Y324 L366 L367 K370 V435 P436 L437 E443 L444 | E320-M440 HydrophobicContact CG-CE 4.38Å; Y324-M440 HydrophobicContact CD1-CE 4.2Å; Y324-M440 HydrophobicContact CD2-CG 4.29Å; Y324-M440 HydrophobicContact CE1-CE 3.88Å; Y324-M440 HydrophobicContact CE2-CB 4.46Å; Y324-M440 HydrophobicContact CE2-CE 4.4Å; Y324-M440 HydrophobicContact CE2-CG 3.7Å; L366-M440 HydrophobicContact CD2-SD 4.12Å; L366-M440 HydrophobicContact CG-SD 4.36Å; L367-M440 HydrophobicContact CD2-CG 4.19Å; L367-M440 HydrophobicContact CD2-SD 4.45Å; K370-M440 HydrophobicContact CD-CE 4.33Å; K370-M440 HydrophobicContact CD-SD 3.91Å; V435-M440 HydrophobicContact CB-CE 4.05Å; V435-M440 HydrophobicContact CG1-CB 4.24Å; P436-M440 PolarHBondContact O-N 3.46Å; L437-M440 PolarHBondContact O-N 3.26Å; M440-E443 PolarHBondContact O-N 3.46Å; M440-L444 HydrophobicContact CG-CD1 3.76Å; M440-L444 WeakPolarHBondContact O-CB 3.23Å; M440-L444 WeakPolarHBondContact O-CD1 3.44Å; M440-L444 WeakPolarHBondContact O-CG 3.3Å; M440-L444 PolarHBondContact O-N 2.91Å |
| 441 | Y | 91.6 | Very high | 83 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 31% | 0.306 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 176.1 | -178.7 | -94.1 | 0 | 0 | 0 | 112.1 | L367 L437 P438 A439 E443 L444 Y445 L452 F456 | L367-Y441 HydrophobicContact CD1-CD2 3.89Å; L367-Y441 HydrophobicContact CD1-CE2 4.49Å; L437-Y441 PolarHBondContact O-N 3.4Å; P438-Y441 PolarHBondContact O-N 3.17Å; A439-Y441 VanDerWaalsContact C-N 3.34Å; A439-Y441 PolarHBondContact O-N 2.95Å; Y441-E443 VanDerWaalsContact C-N 3.34Å; Y441-E443 PolarHBondContact O-N 3.33Å; Y441-L444 PolarHBondContact O-N 3.49Å; Y441-Y445 VanDerWaalsContact O-CB 3.28Å; Y441-Y445 WeakPolarHBondContact O-CB 3.44Å; Y441-Y445 PolarHBondContact O-N 3.03Å; Y441-L452 HydrophobicContact CE2-CD2 4.26Å; Y441-F456 HydrophobicContact CE2-CD2 4.19Å; Y441-F456 HydrophobicContact CE2-CE2 4.21Å |
| 442 | C | 90.8 | Very high | 85.2 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 58% | 0.581 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 178.6 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | P438 A439 Y445 S446 | P438-C442 PolarHBondContact O-N 2.94Å; P438-C442 PolarHBondContact O-SG 3.4Å; A439-C442 PolarHBondContact O-N 3.34Å; C442-Y445 PolarHBondContact O-N 3.28Å; C442-S446 PolarHBondContact O-N 3.15Å; C442-S446 VanDerWaalsContact O-N 3.08Å |
| 443 | E | 91.9 | Very high | 86.8 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 177.5 | -168.1 | -175.5 | 168.8 | 0 | 0 | 111.1 | Y324 A439 M440 Y441 Y445 S446 F447 | Y324-E443 VanDerWaalsContact CZ-OE2 3.25Å; Y324-E443 PolarHBondContact OH-OE2 2.86Å; A439-E443 PolarHBondContact O-N 3.49Å; M440-E443 PolarHBondContact O-N 3.46Å; Y441-E443 VanDerWaalsContact C-N 3.34Å; Y441-E443 PolarHBondContact O-N 3.33Å; E443-Y445 VanDerWaalsContact C-N 3.33Å; E443-Y445 PolarHBondContact O-N 2.92Å; E443-S446 WeakPolarHBondContact O-CB 3.49Å; E443-S446 PolarHBondContact O-N 3.5Å; E443-S446 VanDerWaalsContact O-N 3.12Å; E443-S446 PolarHBondContact O-OG 3.06Å; E443-F447 HydrophobicContact CG-CE2 3.88Å; E443-F447 HydrophobicContact CG-CZ 4.3Å; E443-F447 VanDerWaalsContact O-CD2 3.29Å; E443-F447 WeakPolarHBondContact O-CD2 3.38Å |
| 444 | L | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 177.7 | -68.5 | 165.3 | 0 | 0 | 0 | 112.5 | Y324 L327 V363 L367 M440 Y441 S446 F447 F448 L452 | Y324-L444 HydrophobicContact CD2-CD1 4.45Å; Y324-L444 HydrophobicContact CD2-CD2 4.05Å; Y324-L444 HydrophobicContact CD2-CG 4.32Å; Y324-L444 HydrophobicContact CE2-CD1 4.39Å; Y324-L444 HydrophobicContact CE2-CD2 4.26Å; Y324-L444 HydrophobicContact CE2-CG 4.12Å; L327-L444 HydrophobicContact CD2-CD2 3.5Å; V363-L444 HydrophobicContact CG1-CB 4.21Å; V363-L444 HydrophobicContact CG1-CD1 3.52Å; V363-L444 HydrophobicContact CG1-CD2 3.79Å; V363-L444 HydrophobicContact CG1-CG 4.04Å; V363-L444 HydrophobicContact CG2-CD2 3.99Å; L367-L444 HydrophobicContact CD1-CD1 4.07Å; L367-L444 HydrophobicContact CD2-CD1 4.04Å; L367-L444 HydrophobicContact CG-CD1 4.12Å; M440-L444 HydrophobicContact CG-CD1 3.76Å; M440-L444 WeakPolarHBondContact O-CB 3.23Å; M440-L444 WeakPolarHBondContact O-CD1 3.44Å; M440-L444 WeakPolarHBondContact O-CG 3.3Å; M440-L444 PolarHBondContact O-N 2.91Å; Y441-L444 PolarHBondContact O-N 3.49Å; L444-S446 VanDerWaalsContact C-N 3.25Å; L444-S446 PolarHBondContact O-N 2.95Å; L444-F447 PolarHBondContact O-N 3.46Å; L444-F448 HydrophobicContact CB-CD2 4.44Å; L444-F448 HydrophobicContact CD2-CE2 4.01Å; L444-F448 WeakPolarHBondContact O-CD2 3.08Å; L444-F448 PolarHBondContact O-N 3Å; L444-L452 HydrophobicContact CB-CD2 3.85Å |
| 445 | Y | 91.6 | Very high | 88.7 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 35% | 0.353 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -32.5 | 174.6 | -173.6 | -96.6 | 0 | 0 | 0 | 111.6 | Y441 C442 E443 F447 G449 D450 A453 | Y441-Y445 VanDerWaalsContact O-CB 3.28Å; Y441-Y445 WeakPolarHBondContact O-CB 3.44Å; Y441-Y445 PolarHBondContact O-N 3.03Å; C442-Y445 PolarHBondContact O-N 3.28Å; E443-Y445 VanDerWaalsContact C-N 3.33Å; E443-Y445 PolarHBondContact O-N 2.92Å; Y445-F447 VanDerWaalsContact C-N 3.26Å; Y445-F447 PolarHBondContact O-N 3.45Å; Y445-G449 WeakPolarHBondContact CD2-O 3.43Å; Y445-G449 VanDerWaalsContact CE2-C 3.47Å; Y445-G449 VanDerWaalsContact CE2-O 3.3Å; Y445-G449 WeakPolarHBondContact CE2-O 3.38Å; Y445-G449 VanDerWaalsContact O-CA 3.24Å; Y445-G449 WeakPolarHBondContact O-CA 3.24Å; Y445-G449 PolarHBondContact O-N 2.97Å; Y445-D450 PolarHBondContact OH-OD1 3.18Å; Y445-A453 HydrophobicContact CE2-CB 3.98Å |
| 446 | S | 91.3 | Very high | 88.5 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.8 | -29.9 | 175 | 80.4 | 0 | 0 | 0 | 0 | 113.4 | C442 E443 L444 | C442-S446 PolarHBondContact O-N 3.15Å; C442-S446 VanDerWaalsContact O-N 3.08Å; E443-S446 WeakPolarHBondContact O-CB 3.49Å; E443-S446 PolarHBondContact O-N 3.5Å; E443-S446 VanDerWaalsContact O-N 3.12Å; E443-S446 PolarHBondContact O-OG 3.06Å; L444-S446 VanDerWaalsContact C-N 3.25Å; L444-S446 PolarHBondContact O-N 2.95Å |
| 447 | F | 90.2 | Very high | 87.3 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -83.9 | -45.1 | 176.3 | -56.9 | -54.1 | 0 | 0 | 0 | 112.4 | L327 P328 W331 E443 L444 Y445 | L327-F447 HydrophobicContact CD2-CD2 3.91Å; L327-F447 HydrophobicContact CD2-CE2 4.24Å; L327-F447 HydrophobicContact CG-CD2 4.4Å; P328-F447 HydrophobicContact CB-CZ 4.01Å; P328-F447 HydrophobicContact CG-CE2 4.43Å; P328-F447 HydrophobicContact CG-CZ 3.95Å; W331-F447 HydrophobicContact CB-CD1 4.13Å; W331-F447 HydrophobicContact CB-CE1 4.37Å; W331-F447 AromaticContact CD1-CD1 3.44Å; W331-F447 VanDerWaalsContact CD1-CD1 3.44Å; W331-F447 HydrophobicContact CD2-CB 3.97Å; W331-F447 HydrophobicContact CD2-CD1 4.12Å; W331-F447 HydrophobicContact CD2-CG 4.33Å; W331-F447 HydrophobicContact CE3-CB 4.29Å; W331-F447 HydrophobicContact CG-CB 4.33Å; W331-F447 AromaticContact CG-CD1 3.59Å; W331-F447 HydrophobicContact CG-CD1 3.59Å; W331-F447 HydrophobicContact CG-CE1 4.22Å; W331-F447 HydrophobicContact CG-CG 4.17Å; W331-F447 WeakPolarHBondContact CH2-O 3.41Å; W331-F447 HydrophobicContact CZ2-CB 4.49Å; W331-F447 WeakPolarHBondContact CZ2-O 3.19Å; W331-F447 AromaticContact NE1-CD1 3.88Å; E443-F447 HydrophobicContact CG-CE2 3.88Å; E443-F447 HydrophobicContact CG-CZ 4.3Å; E443-F447 VanDerWaalsContact O-CD2 3.29Å; E443-F447 WeakPolarHBondContact O-CD2 3.38Å; L444-F447 PolarHBondContact O-N 3.46Å; Y445-F447 VanDerWaalsContact C-N 3.26Å; Y445-F447 PolarHBondContact O-N 3.45Å |
| 448 | F | 91.4 | Very high | 85.4 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -102.2 | -16.8 | -167.7 | -62.2 | -65.7 | 0 | 0 | 0 | 114.6 | L327 W331 Y356 I359 L360 V363 L444 S451 L452 | L327-F448 HydrophobicContact CD1-CZ 4.39Å; L327-F448 HydrophobicContact CD2-CE2 3.88Å; L327-F448 HydrophobicContact CD2-CZ 4.06Å; W331-F448 HydrophobicContact CE3-CE1 4.22Å; W331-F448 HydrophobicContact CE3-CZ 4.49Å; W331-F448 HydrophobicContact CH2-CD1 4.43Å; W331-F448 HydrophobicContact CH2-CE1 4.41Å; W331-F448 HydrophobicContact CZ3-CD1 4.12Å; W331-F448 AromaticContact CZ3-CE1 3.67Å; W331-F448 HydrophobicContact CZ3-CE1 3.67Å; W331-F448 HydrophobicContact CZ3-CZ 4.37Å; Y356-F448 HydrophobicContact CD2-CD1 4.34Å; Y356-F448 HydrophobicContact CD2-CE1 4.22Å; Y356-F448 AromaticContact CE2-CD1 3.57Å; Y356-F448 HydrophobicContact CE2-CD1 3.57Å; Y356-F448 AromaticContact CE2-CE1 3.9Å; Y356-F448 HydrophobicContact CE2-CE1 3.9Å; I359-F448 HydrophobicContact CB-CZ 4.49Å; I359-F448 HydrophobicContact CG2-CE1 3.98Å; I359-F448 HydrophobicContact CG2-CE2 4.38Å; I359-F448 HydrophobicContact CG2-CZ 3.43Å; I359-F448 VanDerWaalsContact CG2-CZ 3.43Å; L360-F448 HydrophobicContact CD2-CB 3.73Å; L360-F448 HydrophobicContact CD2-CD1 3.3Å; L360-F448 HydrophobicContact CD2-CD2 4.25Å; L360-F448 HydrophobicContact CD2-CE1 4.02Å; L360-F448 HydrophobicContact CD2-CG 3.48Å; L360-F448 VanDerWaalsContact CD2-CG 3.48Å; L360-F448 HydrophobicContact CG-CD1 3.86Å; L360-F448 HydrophobicContact CG-CE1 4.22Å; L360-F448 HydrophobicContact CG-CG 4.49Å; V363-F448 HydrophobicContact CG1-CE2 4.42Å; V363-F448 HydrophobicContact CG2-CE2 4.05Å; V363-F448 HydrophobicContact CG2-CZ 4.44Å; L444-F448 HydrophobicContact CB-CD2 4.44Å; L444-F448 HydrophobicContact CD2-CE2 4.01Å; L444-F448 WeakPolarHBondContact O-CD2 3.08Å; L444-F448 PolarHBondContact O-N 3Å; F448-S451 VanDerWaalsContact O-CB 3.31Å; F448-S451 WeakPolarHBondContact O-CB 3.14Å; F448-S451 PolarHBondContact O-N 3.4Å; F448-L452 HydrophobicContact CB-CB 3.75Å |
| 449 | G | 89.9 | Confident | 83.1 | Confident | 22 Ų | 22 | 59 Ų | 59 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -137 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y445 S451 L452 A453 | Y445-G449 WeakPolarHBondContact CD2-O 3.43Å; Y445-G449 VanDerWaalsContact CE2-C 3.47Å; Y445-G449 VanDerWaalsContact CE2-O 3.3Å; Y445-G449 WeakPolarHBondContact CE2-O 3.38Å; Y445-G449 VanDerWaalsContact O-CA 3.24Å; Y445-G449 WeakPolarHBondContact O-CA 3.24Å; Y445-G449 PolarHBondContact O-N 2.97Å; G449-S451 PolarHBondContact O-N 3.01Å; G449-L452 WeakPolarHBondContact O-CB 3.26Å; G449-L452 PolarHBondContact O-N 2.73Å; G449-A453 PolarHBondContact O-N 2.96Å |
| 450 | D | 88 | Confident | 80.7 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.6 | -24.2 | -175.9 | -64.3 | -24.1 | 0 | 0 | 0 | 113.4 | Y445 L452 A453 V454 | Y445-D450 PolarHBondContact OH-OD1 3.18Å; D450-L452 PolarHBondContact O-N 3.35Å; D450-A453 PolarHBondContact O-N 2.92Å; D450-A453 VanDerWaalsContact O-N 3.12Å; D450-V454 VanDerWaalsContact O-CG2 3.32Å; D450-V454 WeakPolarHBondContact O-CG2 3.46Å; D450-V454 PolarHBondContact O-N 3.01Å |
| 451 | S | 89.3 | Confident | 78.1 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.4 | -32.5 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | Y356 F448 G449 R455 | Y356-S451 VanDerWaalsContact OH-CB 3.23Å; Y356-S451 WeakPolarHBondContact OH-CB 3.36Å; Y356-S451 PolarHBondContact OH-OG 3.12Å; Y356-S451 VanDerWaalsContact OH-OG 3.13Å; F448-S451 VanDerWaalsContact O-CB 3.31Å; F448-S451 WeakPolarHBondContact O-CB 3.14Å; F448-S451 PolarHBondContact O-N 3.4Å; G449-S451 PolarHBondContact O-N 3.01Å; S451-R455 WeakPolarHBondContact O-CG 3.1Å |
| 452 | L | 89.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -79.3 | -43.4 | 173.5 | -173.5 | 65.3 | 0 | 0 | 0 | 111.2 | V363 L367 Y441 L444 F448 G449 D450 V454 R455 F456 | V363-L452 HydrophobicContact CG1-CD1 3.99Å; L367-L452 HydrophobicContact CD1-CD1 4.28Å; L367-L452 HydrophobicContact CD1-CD2 4.26Å; Y441-L452 HydrophobicContact CE2-CD2 4.26Å; L444-L452 HydrophobicContact CB-CD2 3.85Å; F448-L452 HydrophobicContact CB-CB 3.75Å; G449-L452 WeakPolarHBondContact O-CB 3.26Å; G449-L452 PolarHBondContact O-N 2.73Å; D450-L452 PolarHBondContact O-N 3.35Å; L452-V454 PolarHBondContact O-N 3.17Å; L452-R455 WeakPolarHBondContact O-CB 3.46Å; L452-R455 PolarHBondContact O-N 3.06Å; L452-F456 HydrophobicContact CD1-CE2 3.8Å; L452-F456 HydrophobicContact CG-CE2 4Å; L452-F456 VanDerWaalsContact O-CD2 3.23Å; L452-F456 WeakPolarHBondContact O-CD2 3.46Å |
| 453 | A | 86.1 | Confident | 72.6 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 16% | 0.157 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y445 G449 D450 R455 F456 S457 | Y445-A453 HydrophobicContact CE2-CB 3.98Å; G449-A453 PolarHBondContact O-N 2.96Å; D450-A453 PolarHBondContact O-N 2.92Å; D450-A453 VanDerWaalsContact O-N 3.12Å; A453-R455 PolarHBondContact O-N 3.07Å; A453-F456 PolarHBondContact O-N 2.99Å; A453-F456 VanDerWaalsContact O-N 3.11Å; A453-S457 PolarHBondContact O-N 3.41Å; A453-S457 PolarHBondContact O-OG 2.95Å |
| 454 | V | 86.4 | Confident | 69.6 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 53% | 0.527 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.8 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | D450 L452 F456 S457 T458 | D450-V454 VanDerWaalsContact O-CG2 3.32Å; D450-V454 WeakPolarHBondContact O-CG2 3.46Å; D450-V454 PolarHBondContact O-N 3.01Å; L452-V454 PolarHBondContact O-N 3.17Å; V454-F456 VanDerWaalsContact C-N 3.27Å; V454-F456 PolarHBondContact O-N 2.88Å; V454-S457 PolarHBondContact O-N 3.37Å; V454-T458 PolarHBondContact O-OG1 3.2Å |
| 455 | R | 81.9 | Confident | 66.4 | Low | 112 Ų | 112 | 78.4 Ų | 78.4 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -18.6 | 178.7 | -61.2 | -67 | -158.6 | -166.9 | 4 | 114.1 | E364 S451 L452 A453 | E364-R455 HydrophobicContact CG-CB 4.08Å; E364-R455 WeakPolarHBondContact OE2-CD 3.37Å; E364-R455 IonicContact OE2-NE 2.68Å; S451-R455 WeakPolarHBondContact O-CG 3.1Å; L452-R455 WeakPolarHBondContact O-CB 3.46Å; L452-R455 PolarHBondContact O-N 3.06Å; A453-R455 PolarHBondContact O-N 3.07Å |
| 456 | F | 78.1 | Confident | 63.5 | Low | 74 Ų | 74 | 79.7 Ų | 79.7 | 33% | 0.325 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -21.3 | 174.5 | -64.4 | -79.7 | 0 | 0 | 0 | 112.7 | E364 L367 K368 Y441 L452 A453 V454 T458 | E364-F456 HydrophobicContact CG-CZ 4.29Å; L367-F456 HydrophobicContact CB-CE1 4.2Å; L367-F456 HydrophobicContact CB-CZ 3.73Å; L367-F456 HydrophobicContact CD1-CE2 3.92Å; L367-F456 HydrophobicContact CD1-CZ 3.66Å; L367-F456 HydrophobicContact CG-CZ 4.37Å; K368-F456 HydrophobicContact CG-CE1 3.81Å; Y441-F456 HydrophobicContact CE2-CD2 4.19Å; Y441-F456 HydrophobicContact CE2-CE2 4.21Å; L452-F456 HydrophobicContact CD1-CE2 3.8Å; L452-F456 HydrophobicContact CG-CE2 4Å; L452-F456 VanDerWaalsContact O-CD2 3.23Å; L452-F456 WeakPolarHBondContact O-CD2 3.46Å; A453-F456 PolarHBondContact O-N 2.99Å; A453-F456 VanDerWaalsContact O-N 3.11Å; V454-F456 VanDerWaalsContact C-N 3.27Å; V454-F456 PolarHBondContact O-N 2.88Å; F456-T458 VanDerWaalsContact C-N 3.33Å; F456-T458 PolarHBondContact O-N 3.09Å |
| 457 | S | 60.7 | Low | 60.6 | Low | 98 Ų | 98 | 81.8 Ų | 81.8 | 69% | 0.685 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -0.6 | -176 | -54.6 | 0 | 0 | 0 | 0 | 114.3 | A453 V454 | A453-S457 PolarHBondContact O-N 3.41Å; A453-S457 PolarHBondContact O-OG 2.95Å; V454-S457 PolarHBondContact O-N 3.37Å |
| 458 | T | 47.7 | Very low | 57.6 | Low | 110 Ų | 110 | 85.8 Ų | 85.8 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 17 | -172.3 | 45.9 | 0 | 0 | 0 | 0 | 115.4 | V454 F456 | V454-T458 PolarHBondContact O-OG1 3.2Å; F456-T458 VanDerWaalsContact C-N 3.33Å; F456-T458 PolarHBondContact O-N 3.09Å |
| 459 | G | 38 | Very low | 54.5 | Low | 55 Ų | 55 | 89.9 Ų | 89.9 | 57% | 0.567 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -90.6 | 143 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S461 | G459-S461 PolarHBondContact O-N 3.45Š|
| 460 | P | 39.5 | Very low | 51.7 | Low | 128 Ų | 128 | 94.9 Ų | 94.9 | 83% | 0.831 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 126.2 | 171.2 | 27.2 | -31.3 | 0 | 0 | 0 | 108.8 | L462 | P460-L462 PolarHBondContact O-N 2.59Š|
| 461 | S | 34.3 | Very low | 48.9 | Very low | 108 Ų | 108 | 95.3 Ų | 95.3 | 76% | 0.755 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 120.1 | 178.8 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | G459 G463 | G459-S461 PolarHBondContact O-N 3.45Å; S461-G463 PolarHBondContact O-N 3.42Å |
| 462 | L | 36.7 | Very low | 45.9 | Very low | 177 Ų | 177 | 100.9 Ų | 100.9 | 93% | 0.927 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -55 | 128.7 | 152.1 | -94.3 | 99.6 | 0 | 0 | 0 | 107.3 | P460 | P460-L462 PolarHBondContact O-N 2.59Š|
| 463 | G | 30 | Very low | 43 | Very low | 75 Ų | 75 | 106.5 Ų | 106.5 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -61 | 147.9 | -160.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S461 | S461-G463 PolarHBondContact O-N 3.42Š|
| 464 | G | 29.3 | Very low | 40.5 | Very low | 76 Ų | 76 | 111.1 Ų | 111.1 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | trans | 79.3 | 84.5 | 136 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 465 | C | 23.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 114 Ų | 114 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -147.9 | 134.6 | 137.7 | -96.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 466 | P | 30.8 | Very low | 34.9 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 150.6 | 178.1 | 33.1 | -32 | 0 | 0 | 0 | 109.9 | S468 | P466-S468 PolarHBondContact O-N 2.85Š|
| 467 | P | 30.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 126.1 | 178.1 | 29.6 | -30.9 | 0 | 0 | 0 | 110 | ||
| 468 | S | 27.6 | Very low | 31 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 133.4 | 163.8 | 43 | 0 | 0 | 0 | 0 | 109.7 | P466 | P466-S468 PolarHBondContact O-N 2.85Š|
| 469 | A | 26.3 | Very low | 29.8 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59 | 148.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 470 | P | 31.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 131.2 | 170.3 | 32.5 | -29.7 | 0 | 0 | 0 | 110.8 | ||
| 471 | S | 27.8 | Very low | 29.8 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78 | 119.2 | 168.4 | 51 | 0 | 0 | 0 | 0 | 110.7 | ||
| 472 | Q | 27.7 | Very low | 29.3 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 163.1 | 165.9 | -74.4 | -168.2 | -22.6 | 0 | 0 | 112.2 | ||
| 473 | P | 27.8 | Very low | 29.3 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | -142.3 | -178 | 115.7 | 43.5 | -29.8 | 0 | 0 | 0 | 112.3 | |||||
| 474 | P | 32.8 | Very low | 29.2 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | -116.1 | 168.1 | -87.6 | 28 | -7.5 | 0 | 0 | 0 | 114.6 | |||||
| 475 | D | 25 | Very low | 29.2 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -26.4 | 137.1 | 176.5 | -69.1 | -55.4 | 0 | 0 | 0 | 120.8 | ||||
| 476 | T | 27.6 | Very low | 29.3 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | -151.1 | 109.1 | 126 | 44.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 477 | R | 27.6 | Very low | 30 | Very low | 237 Ų | 237 | 132.9 Ų | 132.9 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | 16.9 | 123.2 | 146.9 | -78.4 | 179 | 173.7 | 175.4 | -1.6 | 119.9 | ||||
| 478 | K | 28.2 | Very low | 29.7 | Very low | 205 Ų | 205 | 133.5 Ų | 133.5 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | 170.4 | 118.7 | 99.2 | -117.1 | 176.5 | 173.2 | 179.2 | 0 | 111 | |||||
| 479 | E | 23.5 | Very low | 29.8 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -82.7 | 166.6 | 158.6 | -121.7 | -169.3 | 159.6 | 0 | 0 | 109.6 | ||||
| 480 | P | 37.2 | Very low | 29.9 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | -151.2 | -159.2 | 61.9 | 46.8 | -24.2 | 0 | 0 | 0 | 113.9 | |||||
| 481 | P | 39.1 | Very low | 30 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | -115.6 | 178 | -110.3 | 25.5 | -0.5 | 0 | 0 | 0 | 114.5 | |||||
| 482 | G | 24 | Very low | 30 | Very low | 70 Ų | 70 | 146.1 Ų | 146.1 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -63 | -164 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 483 | P | 37.6 | Very low | 30.1 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | -147.6 | -174.5 | 52.7 | 38.3 | -15.5 | 0 | 0 | 0 | 116.7 | |||||
| 484 | A | 26.4 | Very low | 30.5 | Very low | 100 Ų | 100 | 146 Ų | 146 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -62 | 154.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 485 | A | 29 | Very low | 30.3 | Very low | 100 Ų | 100 | 148 Ų | 148 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -167.7 | 127.4 | 140.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 486 | N | 26.6 | Very low | 30.5 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -77.2 | -175.7 | 158.4 | -84.3 | -17.8 | 0 | 0 | 0 | 110.1 | ||||
| 487 | P | 46.4 | Very low | 30.5 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | cis | -131.6 | -167 | -43.3 | 35.1 | -15.4 | 0 | 0 | 0 | 112.2 | ||||
| 488 | D | 24.4 | Very low | 30.5 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | trans | 82.4 | 112.4 | 158.9 | -62.8 | -29 | 0 | 0 | 0 | 120.2 | ||||
| 489 | T | 29.7 | Very low | 30.5 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | -158.7 | 123.5 | 123.7 | 5.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 490 | T | 27.3 | Very low | 30.7 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -50.6 | 150.8 | 163.1 | 42.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 491 | R | 34.4 | Very low | 30.2 | Very low | 253 Ų | 253 | 141.2 Ų | 141.2 | 96% | 0.955 | 82% | 0.815 | S | S | * | * | trans | -165.5 | 138.9 | 132.4 | -102.2 | 157.6 | -165 | -160.1 | 4.6 | 112.8 | ||||
| 492 | K | 28.6 | Very low | 29.7 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | trans | -84.7 | 160.9 | -169 | -74.1 | 168.7 | 166.9 | 174.4 | 0 | 112.4 | ||||
| 493 | M | 29.7 | Very low | 30 | Very low | 162 Ų | 162 | 146 Ų | 146 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | trans | -37.8 | 166.3 | 153.6 | -80.4 | -175.3 | 174.2 | 0 | 0 | 114.6 | ||||
| 494 | P | 35.2 | Very low | 30.1 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -132.3 | 143.6 | 121.5 | 32.4 | -18.5 | 0 | 0 | 0 | 114.2 | |||||
| 495 | Q | 29.6 | Very low | 30.1 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -84.8 | 154.9 | 162.4 | -67.7 | -150.6 | -18.5 | 0 | 0 | 111 | ||||
| 496 | L | 28.3 | Very low | 30.1 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -139.7 | 114.3 | 160.6 | -88.9 | 165.2 | 0 | 0 | 0 | 111.1 | ||||
| 497 | T | 27.1 | Very low | 30 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | -77.4 | 149.5 | 158.3 | 32.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 498 | A | 28.2 | Very low | 29 | Very low | 101 Ų | 101 | 151.5 Ų | 151.5 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | -179.2 | 135.2 | 128.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 499 | N | 27.6 | Very low | 29.3 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -77.5 | 161.5 | 168.1 | -70.6 | -32.6 | 0 | 0 | 0 | 111.9 | ||||
| 500 | L | 28.5 | Very low | 29.8 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | 179.7 | 145.4 | 120.1 | -95.7 | 156.6 | 0 | 0 | 0 | 113.7 | |||||
| 501 | N | 27.1 | Very low | 29.7 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | trans | -53.5 | 159.8 | 176.4 | -72.4 | -31.8 | 0 | 0 | 0 | 115.5 | ||||
| 502 | I | 28.9 | Very low | 29.4 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | -166.3 | 135.8 | 130 | -84.6 | 136.1 | 0 | 0 | 0 | 109.9 | |||||
| 503 | S | 29.7 | Very low | 29.2 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -124.6 | 151.4 | 158.5 | -143.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 504 | P | 39.2 | Very low | 29.3 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | -156.3 | 165.3 | 86 | 37 | -15.4 | 0 | 0 | 0 | 117.9 | |||||
| 505 | R | 27.3 | Very low | 29 | Very low | 225 Ų | 225 | 144 Ų | 144 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | 19.4 | 155.3 | 141.1 | -60.8 | -176 | 171.6 | 178.9 | -2.7 | 120.8 | ||||
| 506 | Q | 27.7 | Very low | 30 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | cis | -169.6 | 168 | 11.9 | -128.8 | 173.8 | 18 | 0 | 0 | 110.7 | ||||
| 507 | D | 25.8 | Very low | 30.5 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 87.6 | 129.9 | 150.4 | -72.2 | -11 | 0 | 0 | 0 | 124.7 | ||||
| 508 | G | 25.3 | Very low | 30.5 | Very low | 82 Ų | 82 | 137.9 Ų | 137.9 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 145.9 | 90.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 509 | S | 30.6 | Very low | 30.4 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -109.1 | 156.4 | 161.8 | -149 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 510 | P | 39.1 | Very low | 30.3 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | -152.8 | 169.7 | 89.1 | 35.7 | -14.2 | 0 | 0 | 0 | 117.9 | |||||
| 511 | R | 26.8 | Very low | 30.2 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -38.5 | 161.8 | 171.8 | -76.3 | 174.9 | 163.3 | -173.5 | -5.1 | 118.2 | ||||
| 512 | T | 26.6 | Very low | 30.2 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | 178.9 | 128.4 | 105.6 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 513 | E | 25.6 | Very low | 30 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -87.9 | 155.8 | 161.3 | -128.5 | -166.4 | -155.9 | 0 | 0 | 108.6 | ||||
| 514 | P | 31.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -157.2 | 178 | 77.3 | 38.1 | -15.7 | 0 | 0 | 0 | 116.7 | |||||
| 515 | A | 28.6 | Very low | 29.9 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -100.1 | -169.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 516 | P | 51.2 | Low | 29.9 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | cis | -125 | -161.7 | -25.9 | 42.2 | -23.6 | 0 | 0 | 0 | 110.6 | ||||
| 517 | P | 38.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | -155.2 | 153.2 | 69.8 | 38 | -14.1 | 0 | 0 | 0 | 119.6 | |||||
| 518 | S | 27 | Very low | 29.8 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | 36.8 | 151.4 | 126.1 | -40.2 | 0 | 0 | 0 | 0 | 127.3 | |||||
| 519 | L | 25.9 | Very low | 29.7 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | 105.8 | 137.1 | 150.1 | -61.1 | 173.5 | 0 | 0 | 0 | 116.7 | ||||
| 520 | A | 26 | Very low | 29.5 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | -165.4 | 152.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 521 | A | 25.8 | Very low | 28.9 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | 33.7 | 129.7 | 137.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 522 | T | 27.3 | Very low | 28.8 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | -179.4 | 135.6 | 105 | 29.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 523 | A | 25.5 | Very low | 28.7 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -108.4 | -170.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 524 | P | 40.3 | Very low | 28.7 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | cis | -144.8 | 178.5 | 0.6 | 37.5 | -15.8 | 0 | 0 | 0 | 116.7 | ||||
| 525 | G | 25.5 | Very low | 28.4 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | 115.1 | 109.7 | 126.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 526 | R | 28 | Very low | 28.3 | Very low | 245 Ų | 245 | 120.5 Ų | 120.5 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | 155.2 | 110.7 | 111.7 | -88.3 | -177.4 | 169.4 | -177.8 | -2 | 113.6 | |||||
| 527 | S | 23.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | -3.3 | 152.3 | 129 | 54.4 | 0 | 0 | 0 | 0 | 119 | |||||
| 528 | L | 25.7 | Very low | 26.6 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | cis | -177.6 | 152.5 | 35 | -117.1 | 148.4 | 0 | 0 | 0 | 110.4 | ||||
| 529 | A | 24.8 | Very low | 26.5 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 60% | 0.603 | 76% | 0.761 | S | S | * | * | trans | 76.1 | 129.7 | 133.6 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 530 | R | 26.2 | Very low | 26.6 | Very low | 240 Ų | 240 | 133.2 Ų | 133.2 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | 65.5 | 152.4 | 128.9 | -79.8 | 177.4 | 152.8 | 168.8 | -7.1 | 119.5 | |||||
| 531 | S | 25.1 | Very low | 26.6 | Very low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | cis | 179.1 | 143.5 | -19.1 | 46.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 532 | S | 24.7 | Very low | 26.6 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 55.4 | 140.4 | 142.2 | 58.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 533 | S | 25.5 | Very low | 26.6 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 95.8 | 115 | 134.6 | 32.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 534 | S | 24.6 | Very low | 26.6 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 46.1 | 130.8 | 131 | 64.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 535 | S | 26 | Very low | 26.1 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 158.6 | 130 | 102.5 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 536 | S | 26.1 | Very low | 27.1 | Very low | 97 Ų | 97 | 147 Ų | 147 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | 40.8 | 139.2 | 134.4 | 71.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 537 | I | 26.8 | Very low | 27 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | 151.8 | 130 | 120.3 | -83.5 | 165.8 | 0 | 0 | 0 | 116.6 | |||||
| 538 | Q | 27.2 | Very low | 27.2 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | trans | 79.2 | 119 | 143.7 | -81.8 | 165.1 | 6.6 | 0 | 0 | 127.8 | ||||
| 539 | R | 25.7 | Very low | 27.2 | Very low | 225 Ų | 225 | 147.9 Ų | 147.9 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | 51.6 | 136 | 116.1 | -70.9 | -175.4 | 177 | -178.7 | -1.4 | 122.8 | |||||
| 540 | R | 27.2 | Very low | 27.3 | Very low | 252 Ų | 252 | 150.1 Ų | 150.1 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | -168.5 | 148.4 | 117.2 | -107.9 | 174.9 | 178.1 | -175 | -0.4 | 115.3 | |||||
| 541 | N | 26.3 | Very low | 27.5 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -95.8 | 164 | 178.8 | -90.4 | -6.1 | 0 | 0 | 0 | 112.6 | ||||
| 542 | S | 26.2 | Very low | 27.6 | Very low | 125 Ų | 125 | 143 Ų | 143 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -163.1 | 158.1 | 137.4 | 61 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 543 | S | 27 | Very low | 28.1 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -133.9 | 157.1 | -159.9 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 544 | S | 27 | Very low | 28.8 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -164.8 | 156.5 | 148 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 545 | R | 29.5 | Very low | 28.9 | Very low | 241 Ų | 241 | 151.3 Ų | 151.3 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -134.4 | -176.2 | -163.4 | -126.7 | -163.5 | 177.3 | -171.2 | 0.6 | 110.1 | ||||
| 546 | P | 45.8 | Very low | 29.6 | Very low | 123 Ų | 123 | 154 Ų | 154 | 80% | 0.799 | 84% | 0.84 | S | S | * | * | -125.1 | -169.9 | -128 | 38.7 | -16.8 | 0 | 0 | 0 | 116.4 | |||||
| 547 | G | 25 | Very low | 29.8 | Very low | 82 Ų | 82 | 154.8 Ų | 154.8 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | trans | -134.9 | 149.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 548 | Q | 29.3 | Very low | 29.8 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 90% | 0.897 | 85% | 0.851 | S | S | * | * | trans | -103.1 | 162.5 | -167 | -95.1 | -178.5 | -32.9 | 0 | 0 | 115.7 | ||||
| 549 | R | 26 | Very low | 30 | Very low | 247 Ų | 247 | 156.7 Ų | 156.7 | 93% | 0.932 | 85% | 0.852 | S | S | * | * | trans | 156.3 | 155.3 | 135.8 | -88.3 | 172.2 | -176.9 | -166.2 | 1.6 | 109.5 | ||||
| 550 | S | 27 | Very low | 30.2 | Very low | 121 Ų | 121 | 156 Ų | 156 | 85% | 0.846 | 86% | 0.855 | S | S | * | * | cis | -177.9 | 155.5 | -19.2 | 173 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 551 | A | 29.8 | Very low | 30.1 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -92.9 | 164.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 552 | G | 26.2 | Very low | 30.3 | Very low | 74 Ų | 74 | 151.9 Ų | 151.9 | 76% | 0.763 | 85% | 0.845 | S | S | * | * | trans | 166.2 | 154.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 553 | P | 37 | Very low | 30.6 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | trans | -113.8 | 169.5 | -130.2 | 40.7 | -33.2 | 0 | 0 | 0 | 120.1 | ||||
| 554 | S | 39.7 | Very low | 30.8 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -8.9 | 138.3 | 166.1 | 55.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 555 | R | 27.2 | Very low | 31.1 | Very low | 247 Ų | 247 | 154.2 Ų | 154.2 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | -158.8 | 119.1 | 144.3 | -120.5 | 176.8 | 150.5 | 174.7 | -6.4 | 112.4 | ||||
| 556 | D | 40.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | trans | -57 | 129.2 | 166 | -74.3 | -51.8 | 0 | 0 | 0 | 111.3 | ||||
| 557 | V | 29.9 | Very low | 31.6 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | -161.3 | 104.9 | 140.7 | -175 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 558 | F | 27 | Very low | 32.7 | Very low | 213 Ų | 213 | 155.1 Ų | 155.1 | 93% | 0.934 | 84% | 0.835 | S | S | * | * | trans | -135.2 | 113.6 | 139.3 | -95.5 | -74.3 | 0 | 0 | 0 | 110.2 | ||||
| 559 | T | 30.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | -61.4 | 134.2 | 174.6 | 16.1 | 0 | 0 | 0 | 0 | 111.1 | A561 | T559-A561 PolarHBondContact O-N 3.26Å; T559-A561 VanDerWaalsContact O-N 3.14Å | ||
| 560 | K | 30 | Very low | 34.6 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -61.4 | 106.3 | 173.9 | -143.6 | 172 | -171.7 | 173.8 | 0 | 109.7 | ||||
| 561 | A | 26.5 | Very low | 35.3 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 118.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | T559 | T559-A561 PolarHBondContact O-N 3.26Å; T559-A561 VanDerWaalsContact O-N 3.14Å |
| 562 | R | 28.5 | Very low | 35.8 | Very low | 247 Ų | 247 | 138 Ų | 138 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 126.2 | 170.2 | -76.3 | -175.2 | -163.7 | -176.2 | 4.3 | 109.4 | ||
| 563 | F | 33.1 | Very low | 36.5 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 149 | 160.3 | -73.8 | -81.3 | 0 | 0 | 0 | 110.2 | ||
| 564 | P | 32.3 | Very low | 36.7 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 161.5 | 179.7 | 30 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 565 | P | 33.3 | Very low | 36.7 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -68 | 159.6 | -173.7 | 29.1 | -33.9 | 0 | 0 | 0 | 112.6 | ||
| 566 | P | 44 | Very low | 37.1 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 133.9 | -161.6 | 31.3 | -33.1 | 0 | 0 | 0 | 112 | ||
| 567 | Q | 41 | Very low | 37.4 | Very low | 192 Ų | 192 | 128.9 Ų | 128.9 | 90% | 0.897 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.2 | 150.5 | -71.9 | -161.7 | 10.4 | 0 | 0 | 108.2 | G569 | Q567-G569 PolarHBondContact O-N 3.11Å; Q567-G569 VanDerWaalsContact O-N 3.11Å |
| 568 | T | 47.9 | Very low | 38 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 94% | 0.939 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -67.4 | 99.7 | -167.4 | -8.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 569 | G | 52.7 | Low | 38.8 | Very low | 56 Ų | 56 | 118.5 Ų | 118.5 | 58% | 0.577 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 169.6 | 149 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q567 | Q567-G569 PolarHBondContact O-N 3.11Å; Q567-G569 VanDerWaalsContact O-N 3.11Å |
| 570 | P | 43.3 | Very low | 39.4 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | trans | -63.3 | 141.5 | 176.6 | 26.4 | -32.5 | 0 | 0 | 0 | 110.4 | T572 | P570-T572 PolarHBondContact O-N 3.16Å; P570-T572 VanDerWaalsContact O-N 3.12Å; P570-T572 PolarHBondContact O-OG1 3.1Å | ||
| 571 | P | 41.8 | Very low | 40 | Very low | 87 Ų | 87 | 118.6 Ų | 118.6 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | trans | -61 | 120.5 | -179.5 | 25.2 | -32.9 | 0 | 0 | 0 | 109.6 | F573 | P571-F573 HydrophobicContact CB-CE2 4.22Š| ||
| 572 | T | 40.3 | Very low | 40.4 | Very low | 78 Ų | 78 | 123.6 Ų | 123.6 | 48% | 0.479 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.9 | -178.4 | -55 | 0 | 0 | 0 | 0 | 108.8 | P570 Q592 | P570-T572 PolarHBondContact O-N 3.16Å; P570-T572 VanDerWaalsContact O-N 3.12Å; P570-T572 PolarHBondContact O-OG1 3.1Å; T572-Q592 HydrophobicContact CG2-CG 3.97Å |
| 573 | F | 41.4 | Very low | 41.5 | Very low | 131 Ų | 131 | 115 Ų | 115 | 58% | 0.575 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.8 | 173.1 | -70.2 | -86.4 | 0 | 0 | 0 | 109.5 | P571 T593 | P571-F573 HydrophobicContact CB-CE2 4.22Å; F573-T593 PolarHBondContact O-N 2.83Å |
| 574 | S | 39.4 | Very low | 41.8 | Very low | 63 Ų | 63 | 116 Ų | 116 | 44% | 0.441 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.7 | 128 | 173.1 | 70.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 575 | F | 40.2 | Very low | 42.3 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 50% | 0.504 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.8 | 172.9 | 52 | -91.8 | 0 | 0 | 0 | 110.4 | I577 F591 | F575-I577 HydrophobicContact CD2-CD1 4.31Å; F575-I577 HydrophobicContact CD2-CG1 4.13Å; F575-I577 HydrophobicContact CE2-CD1 4.08Å; F575-I577 HydrophobicContact CE2-CG1 4.41Å; F575-F591 PolarHBondContact N-O 3.08Å; F575-F591 PolarHBondContact O-N 3.4Å |
| 576 | L | 36.2 | Very low | 43 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.5 | -169.2 | -146.3 | 153.5 | 0 | 0 | 0 | 107.9 | ||
| 577 | I | 46.2 | Very low | 43 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 52% | 0.518 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 105.3 | 178.6 | -58.2 | 178 | 0 | 0 | 0 | 107.9 | F575 G588 | F575-I577 HydrophobicContact CD2-CD1 4.31Å; F575-I577 HydrophobicContact CD2-CG1 4.13Å; F575-I577 HydrophobicContact CE2-CD1 4.08Å; F575-I577 HydrophobicContact CE2-CG1 4.41Å; I577-G588 WeakPolarHBondContact O-CA 3.31Å |
| 578 | G | 42.8 | Very low | 43.5 | Very low | 61 Ų | 61 | 115.2 Ų | 115.2 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | trans | -89.6 | 111.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 579 | G | 44.6 | Very low | 43.3 | Very low | 49 Ų | 49 | 117.5 Ų | 117.5 | 51% | 0.505 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -98.5 | 143.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 580 | R | 41.5 | Very low | 42.7 | Very low | 171 Ų | 171 | 122.8 Ų | 122.8 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.4 | 163.3 | -68.6 | -172.5 | -173.3 | -144.5 | 9.8 | 108.3 | ||
| 581 | Q | 42.1 | Very low | 42.5 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.4 | 161 | -99.4 | -163.3 | -20.1 | 0 | 0 | 108.4 | G583 R584 | Q581-G583 VanDerWaalsContact C-N 3.33Å; Q581-G583 PolarHBondContact O-N 3.42Å; Q581-G583 VanDerWaalsContact O-N 3.13Å; Q581-R584 PolarHBondContact O-N 3.3Å |
| 582 | M | 36 | Very low | 42.5 | Very low | 189 Ų | 189 | 125.7 Ų | 125.7 | 93% | 0.931 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 42.7 | 50.4 | 174.6 | -93.8 | 81.7 | 177.3 | 0 | 0 | 114.7 | R584 | M582-R584 VanDerWaalsContact C-N 3.28Å; M582-R584 PolarHBondContact O-N 3.44Å |
| 583 | G | 50.6 | Low | 42.4 | Very low | 67 Ų | 67 | 125.1 Ų | 125.1 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.1 | -0.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q581 | Q581-G583 VanDerWaalsContact C-N 3.33Å; Q581-G583 PolarHBondContact O-N 3.42Å; Q581-G583 VanDerWaalsContact O-N 3.13Å |
| 584 | R | 40.9 | Very low | 42.3 | Very low | 207 Ų | 207 | 123.2 Ų | 123.2 | 78% | 0.781 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.9 | 170.2 | -72.1 | -169.1 | 179.2 | -128.9 | 1.6 | 111.6 | Q581 M582 C586 | Q581-R584 PolarHBondContact O-N 3.3Å; M582-R584 VanDerWaalsContact C-N 3.28Å; M582-R584 PolarHBondContact O-N 3.44Å; R584-C586 PolarHBondContact O-N 3Å |
| 585 | R | 41.3 | Very low | 42.2 | Very low | 212 Ų | 212 | 126.6 Ų | 126.6 | 80% | 0.8 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 116.2 | 176 | -72.4 | -171.3 | -175.3 | -161.4 | 3.6 | 109 | ||
| 586 | C | 48.2 | Very low | 42.3 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 58% | 0.581 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 148.2 | 169 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | R584 G588 | R584-C586 PolarHBondContact O-N 3Å; C586-G588 PolarHBondContact O-N 2.97Å |
| 587 | Q | 45.6 | Very low | 42.5 | Very low | 199 Ų | 199 | 125.8 Ų | 125.8 | 93% | 0.93 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.7 | 170.9 | -68.4 | -160.8 | -5.6 | 0 | 0 | 109 | ||
| 588 | G | 50.2 | Low | 42.2 | Very low | 31 Ų | 31 | 126 Ų | 126 | 32% | 0.32 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 152.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I577 C586 | I577-G588 WeakPolarHBondContact O-CA 3.31Å; C586-G588 PolarHBondContact O-N 2.97Å |
| 589 | R | 43.7 | Very low | 42.1 | Very low | 201 Ų | 201 | 128.6 Ų | 128.6 | 76% | 0.758 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.9 | 173.3 | -71.4 | -175.3 | -178.6 | -177.7 | 0.6 | 109.5 | F591 | R589-F591 HydrophobicContact CB-CE2 3.88Å; R589-F591 HydrophobicContact CB-CZ 4.22Å; R589-F591 WeakPolarHBondContact O-CD2 3.48Å |
| 590 | R | 40.7 | Very low | 41.7 | Very low | 166 Ų | 166 | 132 Ų | 132 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.2 | 175.1 | -174.1 | 178 | -179.8 | 168.4 | 1.5 | 108.7 | ||
| 591 | F | 39.8 | Very low | 41.9 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 47% | 0.469 | 69% | 0.694 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 132.4 | 173.7 | -66.5 | -89.9 | 0 | 0 | 0 | 108.8 | F575 R589 | F575-F591 PolarHBondContact N-O 3.08Å; F575-F591 PolarHBondContact O-N 3.4Å; R589-F591 HydrophobicContact CB-CE2 3.88Å; R589-F591 HydrophobicContact CB-CZ 4.22Å; R589-F591 WeakPolarHBondContact O-CD2 3.48Å |
| 592 | Q | 40.1 | Very low | 41.9 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 59% | 0.589 | 69% | 0.69 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.5 | 179.3 | -171.4 | 171.1 | -5 | 0 | 0 | 107.4 | T572 | T572-Q592 HydrophobicContact CG2-CG 3.97Å |
| 593 | T | 39.2 | Very low | 42.2 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 40% | 0.399 | 69% | 0.686 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.5 | 176.1 | 69 | 0 | 0 | 0 | 0 | 108.4 | F573 | F573-T593 PolarHBondContact O-N 2.83Å |
| 594 | S | 38.1 | Very low | 41.5 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.6 | 172.3 | 54.6 | 0 | 0 | 0 | 0 | 108.2 | S596 | S594-S596 PolarHBondContact O-N 3.26Å |
| 595 | F | 39 | Very low | 41.1 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | trans | -82.6 | 112 | 172 | -65.2 | -82 | 0 | 0 | 0 | 108.5 | ||||
| 596 | S | 41.6 | Very low | 40.8 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134 | 166.2 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | S594 | S594-S596 PolarHBondContact O-N 3.26Š|
| 597 | S | 40.8 | Very low | 40.3 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.8 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 598 | P | 39.9 | Very low | 39.8 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 145.3 | 173.1 | 27.4 | -31.5 | 0 | 0 | 0 | 110.4 | ||
| 599 | P | 40.1 | Very low | 39 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 151.5 | 173.6 | 29.3 | -32.5 | 0 | 0 | 0 | 110.1 | ||
| 600 | P | 36 | Very low | 38.4 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 142.1 | -177.8 | 25.6 | -32.3 | 0 | 0 | 0 | 111.6 | S602 | P600-S602 PolarHBondContact O-N 2.74Å; P600-S602 VanDerWaalsContact O-N 3.08Å |
| 601 | L | 46.8 | Very low | 38.1 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 97% | 0.974 | 71% | 0.71 | S | S | * | * | trans | -62.8 | 102.8 | 175.6 | -81 | 153.7 | 0 | 0 | 0 | 110.7 | ||||
| 602 | S | 41 | Very low | 37.7 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | trans | -147.4 | 128.6 | 152.5 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | P600 | P600-S602 PolarHBondContact O-N 2.74Å; P600-S602 VanDerWaalsContact O-N 3.08Å | ||
| 603 | T | 42.7 | Very low | 37.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 79.9 | 87.1 | 167.8 | 68.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 604 | V | 36.1 | Very low | 37.2 | Very low | 137 Ų | 137 | 130 Ų | 130 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | -130.3 | 126.1 | 150.6 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 605 | P | 33.1 | Very low | 37.3 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | -76.3 | 157.9 | -178 | 32 | -33.4 | 0 | 0 | 0 | 111.4 | R607 | P605-R607 PolarHBondContact O-N 3.16Š| ||
| 606 | P | 34.6 | Very low | 37.3 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | trans | -68 | 124.5 | -179 | 27.6 | -32.4 | 0 | 0 | 0 | 110.6 | A608 | P606-A608 PolarHBondContact O-N 2.69Š| ||
| 607 | R | 38.2 | Very low | 36.8 | Very low | 209 Ų | 209 | 129.5 Ų | 129.5 | 79% | 0.789 | 75% | 0.749 | S | S | * | * | trans | -82.2 | 104 | 172.3 | -80.6 | -177.2 | 162.9 | -176.3 | -4.8 | 109.5 | P605 Y609 | P605-R607 PolarHBondContact O-N 3.16Å; R607-Y609 HydrophobicContact CB-CE2 4.34Å; R607-Y609 PolarHBondContact O-N 2.68Å | ||
| 608 | A | 33.7 | Very low | 36.8 | Very low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -70.7 | 111.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P606 A610 | P606-A608 PolarHBondContact O-N 2.69Å; A608-A610 PolarHBondContact O-N 3.19Å | ||
| 609 | Y | 34.5 | Very low | 36.5 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | -87.7 | 82.7 | 168.6 | -83 | -83.1 | 0 | 0 | 0 | 109.7 | R607 | R607-Y609 HydrophobicContact CB-CE2 4.34Å; R607-Y609 PolarHBondContact O-N 2.68Å | ||
| 610 | A | 31.1 | Very low | 36.5 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | trans | -89.8 | 115 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | A608 | A608-A610 PolarHBondContact O-N 3.19Š| ||
| 611 | H | 33.9 | Very low | 36.3 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | 153.9 | 119 | 130.2 | -79.5 | -58.3 | 0 | 0 | 0 | 114 | ||||
| 612 | K | 32.4 | Very low | 35.7 | Very low | 183 Ų | 183 | 132 Ų | 132 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | 67.4 | 97.3 | 139.7 | -60.9 | -172.7 | -179.5 | -176 | 0 | 118.1 | ||||
| 613 | L | 34.4 | Very low | 35.5 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | -45.3 | 129.3 | 149.4 | -68.1 | 159.2 | 0 | 0 | 0 | 111 | V615 | L613-V615 PolarHBondContact O-N 2.88Š| ||
| 614 | P | 33 | Very low | 35.1 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | -72.2 | 118.3 | 146.9 | 23.5 | -16.8 | 0 | 0 | 0 | 107.5 | I616 | P614-I616 HydrophobicContact CB-CG1 4.39Å; P614-I616 PolarHBondContact O-N 2.67Å | ||
| 615 | V | 40 | Very low | 35.1 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | trans | -57.3 | 102.9 | 164.9 | 175.4 | 0 | 0 | 0 | 0 | 107.4 | L613 | L613-V615 PolarHBondContact O-N 2.88Š| ||
| 616 | I | 40.6 | Very low | 35 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -100.5 | 93.1 | 172.2 | -61.9 | 174.3 | 0 | 0 | 0 | 107.3 | P614 | P614-I616 HydrophobicContact CB-CG1 4.39Å; P614-I616 PolarHBondContact O-N 2.67Å | ||
| 617 | G | 31.1 | Very low | 34.8 | Very low | 47 Ų | 47 | 150.4 Ų | 150.4 | 49% | 0.485 | 76% | 0.764 | S | S | . | * | trans | -58 | 154.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V619 | G617-V619 PolarHBondContact O-N 3.02Š| ||
| 618 | R | 40.3 | Very low | 34.4 | Very low | 220 Ų | 220 | 145.9 Ų | 145.9 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -46.6 | 108.8 | 162.2 | -69.7 | 175.5 | 175.7 | 167.5 | -1.7 | 109.4 | G620 | R618-G620 VanDerWaalsContact C-N 3.31Å; R618-G620 PolarHBondContact O-N 2.85Å | ||
| 619 | V | 34 | Very low | 34.2 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 66% | 0.655 | 75% | 0.754 | S | S | * | * | trans | -95.8 | 74.9 | 157.2 | -173.3 | 0 | 0 | 0 | 0 | 107 | G617 K621 | G617-V619 PolarHBondContact O-N 3.02Å; V619-K621 HydrophobicContact CG1-CB 4.27Å; V619-K621 HydrophobicContact CG1-CD 3.65Å; V619-K621 HydrophobicContact CG1-CG 3.54Å; V619-K621 PolarHBondContact O-N 3.44Å | ||
| 620 | G | 38.3 | Very low | 33.9 | Very low | 73 Ų | 73 | 145.5 Ų | 145.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -68.4 | 86.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | R618 | R618-G620 VanDerWaalsContact C-N 3.31Å; R618-G620 PolarHBondContact O-N 2.85Å | ||
| 621 | K | 33 | Very low | 33.7 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -83.5 | 127.3 | 164.2 | -88.8 | 168.8 | -176.7 | -177.9 | 0 | 107.6 | V619 | V619-K621 HydrophobicContact CG1-CB 4.27Å; V619-K621 HydrophobicContact CG1-CD 3.65Å; V619-K621 HydrophobicContact CG1-CG 3.54Å; V619-K621 PolarHBondContact O-N 3.44Å | ||
| 622 | P | 33.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -61.5 | 147.2 | 169.6 | 27 | -32.2 | 0 | 0 | 0 | 109 | R624 | P622-R624 VanDerWaalsContact C-N 3.35Å; P622-R624 PolarHBondContact O-N 3.11Å | ||
| 623 | V | 37.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -54.7 | 97.6 | 172 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 624 | R | 33.6 | Very low | 32.9 | Very low | 225 Ų | 225 | 148.4 Ų | 148.4 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | trans | -80.3 | 127.4 | 159.7 | -81 | -168 | 174.9 | -150.9 | -0.3 | 106.9 | P622 W626 | P622-R624 VanDerWaalsContact C-N 3.35Å; P622-R624 PolarHBondContact O-N 3.11Å; R624-W626 PolarHBondContact O-N 3.14Å | ||
| 625 | R | 36.3 | Very low | 32.7 | Very low | 233 Ų | 233 | 150.5 Ų | 150.5 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -42.9 | 134.1 | 167.5 | -82.1 | 177.8 | -176.8 | 165.3 | 1.2 | 109.3 | T627 | R625-T627 PolarHBondContact O-N 2.87Å; R625-T627 VanDerWaalsContact O-N 3.14Å | ||
| 626 | W | 30.4 | Very low | 32.2 | Very low | 251 Ų | 251 | 149.7 Ų | 149.7 | 95% | 0.951 | 77% | 0.771 | S | S | * | * | trans | -57.2 | 117.1 | 173.1 | -72.4 | 34.8 | 0 | 0 | 0 | 108.6 | R624 | R624-W626 PolarHBondContact O-N 3.14Š| ||
| 627 | T | 30.8 | Very low | 31.9 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -75.5 | 125.5 | 155.8 | 44.9 | 0 | 0 | 0 | 0 | 107.1 | R625 S629 | R625-T627 PolarHBondContact O-N 2.87Å; R625-T627 VanDerWaalsContact O-N 3.14Å; T627-S629 PolarHBondContact O-N 3.48Å; T627-S629 VanDerWaalsContact O-N 3.14Å | ||
| 628 | C | 30.2 | Very low | 31.9 | Very low | 115 Ų | 115 | 157.9 Ų | 157.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -42.8 | 117.9 | 171.4 | -113 | 0 | 0 | 0 | 0 | 110.2 | H630 | C628-H630 PolarHBondContact O-N 3.41Š| ||
| 629 | S | 28.3 | Very low | 31.5 | Very low | 89 Ų | 89 | 154.6 Ų | 154.6 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | trans | -78.9 | 108.3 | 165.8 | 53.3 | 0 | 0 | 0 | 0 | 107.2 | T627 Y631 | T627-S629 PolarHBondContact O-N 3.48Å; T627-S629 VanDerWaalsContact O-N 3.14Å; S629-Y631 VanDerWaalsContact C-N 3.28Å; S629-Y631 PolarHBondContact O-N 3.33Å; S629-Y631 WeakPolarHBondContact OG-CE2 3.43Å | ||
| 630 | H | 28.2 | Very low | 31.3 | Very low | 177 Ų | 177 | 157.2 Ų | 157.2 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | -66.3 | 91.2 | 166 | -74.6 | -85.9 | 0 | 0 | 0 | 108 | C628 S632 | C628-H630 PolarHBondContact O-N 3.41Å; H630-S632 PolarHBondContact O-N 3.35Å | ||
| 631 | Y | 27.6 | Very low | 30.9 | Very low | 202 Ų | 202 | 162.2 Ų | 162.2 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -87 | 98.8 | 157.7 | -77.5 | -82.6 | 0 | 0 | 0 | 107.3 | S629 L633 | S629-Y631 VanDerWaalsContact C-N 3.28Å; S629-Y631 PolarHBondContact O-N 3.33Å; S629-Y631 WeakPolarHBondContact OG-CE2 3.43Å; Y631-L633 PolarHBondContact O-N 3.2Å; Y631-L633 VanDerWaalsContact O-N 3.15Å | ||
| 632 | S | 28.8 | Very low | 30.8 | Very low | 102 Ų | 102 | 161.3 Ų | 161.3 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | -67.4 | 103.9 | 162.1 | -70.5 | 0 | 0 | 0 | 0 | 107.7 | H630 H634 | H630-S632 PolarHBondContact O-N 3.35Å; S632-H634 PolarHBondContact O-N 3.23Å | ||
| 633 | L | 29.8 | Very low | 30.6 | Very low | 155 Ų | 155 | 164.9 Ų | 164.9 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -72.6 | 87.4 | 159.3 | -74.3 | 169.5 | 0 | 0 | 0 | 107 | Y631 L635 | Y631-L633 PolarHBondContact O-N 3.2Å; Y631-L633 VanDerWaalsContact O-N 3.15Å; L633-L635 VanDerWaalsContact C-N 3.3Å; L633-L635 PolarHBondContact O-N 3.38Å; L633-L635 VanDerWaalsContact O-N 3.08Å | ||
| 634 | H | 25.5 | Very low | 30.1 | Very low | 175 Ų | 175 | 166.1 Ų | 166.1 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -66.2 | 97.5 | 155.4 | -102.6 | -77.3 | 0 | 0 | 0 | 106.9 | S632 | S632-H634 PolarHBondContact O-N 3.23Š| ||
| 635 | L | 29.5 | Very low | 29.8 | Very low | 144 Ų | 144 | 161.6 Ų | 161.6 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -78.5 | 121 | 154.9 | -88.8 | 136.4 | 0 | 0 | 0 | 106.6 | L633 L637 | L633-L635 VanDerWaalsContact C-N 3.3Å; L633-L635 PolarHBondContact O-N 3.38Å; L633-L635 VanDerWaalsContact O-N 3.08Å; L635-L637 PolarHBondContact O-N 3.45Å | ||
| 636 | P | 28.5 | Very low | 29.3 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -66.6 | 122 | 167.1 | 27.8 | -28.7 | 0 | 0 | 0 | 108.2 | ||||
| 637 | L | 33.4 | Very low | 29.1 | Very low | 203 Ų | 203 | 147 Ų | 147 | 100% | 1.063 | 80% | 0.797 | S | S | * | * | trans | -6.7 | 0 | 167.4 | -58.3 | 167.6 | 0 | 0 | 0 | 118.2 | M392 L635 | M392-L637 HydrophobicContact CE-CB 3.86Å; M392-L637 HydrophobicContact CE-CD1 3.59Å; M392-L637 HydrophobicContact CE-CD2 3.27Å; M392-L637 HydrophobicContact CE-CG 3.67Å; M392-L637 HydrophobicContact SD-CB 3.75Å; M392-L637 HydrophobicContact SD-CD1 3.19Å; M392-L637 WeakPolarHBondContact SD-CD1 3.47Å; M392-L637 HydrophobicContact SD-CD2 4.08Å; M392-L637 HydrophobicContact SD-CG 3.77Å; L635-L637 PolarHBondContact O-N 3.45Å |
Retrieved 637 of 637 residues in 1989.2 ms
(Link to these results)