| 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 | 41.3 | Very low | 73.1 | Confident | 232 Ų | 232 | 90.6 Ų | 90.6 | 100% | 1.143 | 46% | 0.46 | S | S | * | . | 0 | 99.2 | 0 | -82.7 | 72.5 | 164.7 | 0 | 0 | 108.3 | K3 | M1-K3 PolarHBondContact O-N 3.49Š| |||
| 2 | D | 44.7 | Very low | 74.5 | Confident | 145 Ų | 145 | 83.5 Ų | 83.5 | 78% | 0.775 | 43% | 0.426 | S | S | * | . | trans | -64.5 | 126.7 | 174.8 | -62.8 | -76.9 | 0 | 0 | 0 | 110.4 | S4 | D2-S4 WeakPolarHBondContact CB-OG 3.04Å; D2-S4 PolarHBondContact O-N 2.89Å; D2-S4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | K | 53 | Low | 75.7 | Confident | 196 Ų | 196 | 83 Ų | 83 | 85% | 0.852 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -73.8 | 10.1 | 174.2 | -74 | 175.1 | 175.5 | 173.3 | 0 | 112.7 | M1 H5 | M1-K3 PolarHBondContact O-N 3.49Å; K3-H5 PolarHBondContact O-N 3.27Å |
| 4 | S | 59.4 | Low | 76.7 | Confident | 102 Ų | 102 | 77.1 Ų | 77.1 | 71% | 0.713 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -3.4 | -162 | 51 | 0 | 0 | 0 | 0 | 115.5 | D2 | D2-S4 WeakPolarHBondContact CB-OG 3.04Å; D2-S4 PolarHBondContact O-N 2.89Å; D2-S4 VanDerWaalsContact O-N 3.17Å |
| 5 | H | 74.9 | Confident | 77.5 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 18.8 | -177 | -152.8 | -96.1 | 0 | 0 | 0 | 114.5 | K3 G49 | K3-H5 PolarHBondContact O-N 3.27Å; H5-G49 VanDerWaalsContact CE1-CA 3.46Å; H5-G49 WeakPolarHBondContact CE1-CA 3.42Å; H5-G49 PolarHBondContact ND1-N 3.18Å; H5-G49 PolarHBondContact O-N 3.5Å |
| 6 | T | 82.7 | Confident | 78.1 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 34% | 0.344 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.5 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | V34 L47 | T6-V34 HydrophobicContact CG2-CB 4.5Å; T6-V34 HydrophobicContact CG2-CG2 3.88Å; T6-L47 CarbonylContact C-O 3.59Å; T6-L47 VanDerWaalsContact CA-O 3.25Å; T6-L47 WeakPolarHBondContact CA-O 3.47Å |
| 7 | V | 87.3 | Confident | 78.7 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.8 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 108 | L9 H46 L47 E50 A53 E74 | V7-L9 HydrophobicContact CG1-CD2 4.26Å; V7-H46 WeakPolarHBondContact O-CA 3.06Å; V7-L47 PolarHBondContact N-O 2.99Å; V7-L47 PolarHBondContact O-N 3.11Å; V7-E50 HydrophobicContact CG2-CB 4.45Å; V7-E50 HydrophobicContact CG2-CG 4.49Å; V7-A53 HydrophobicContact CB-CB 3.61Å; V7-A53 HydrophobicContact CG1-CB 3.5Å; V7-A53 HydrophobicContact CG2-CB 4.1Å; V7-E74 HydrophobicContact CG1-CG 4.1Å |
| 8 | K | 89.1 | Confident | 79.1 | Confident | 69 Ų | 69 | 73.6 Ų | 73.6 | 30% | 0.3 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.1 | 174.8 | -172.6 | -174.7 | 174.1 | -168.7 | 0 | 108.4 | S75 | K8-S75 WeakPolarHBondContact CD-OG 3.1Å; K8-S75 WeakPolarHBondContact CE-OG 3.49Å; K8-S75 VanDerWaalsContact CG-CB 3.49Å; K8-S75 WeakPolarHBondContact O-CA 3.33Å; K8-S75 WeakPolarHBondContact O-CB 3.4Å; K8-S75 PolarHBondContact O-N 3.45Å |
| 9 | L | 90 | Very high | 79.7 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 143.7 | 172.7 | -65 | -170 | 0 | 0 | 0 | 110.8 | V7 F27 F44 V45 L47 A53 A56 I57 V72 | V7-L9 HydrophobicContact CG1-CD2 4.26Å; L9-F27 HydrophobicContact CD1-CD1 4.32Å; L9-F27 HydrophobicContact CD1-CE1 3.83Å; L9-F44 CarbonylContact O-C 3.48Å; L9-F44 VanDerWaalsContact O-CA 3.3Å; L9-F44 WeakPolarHBondContact O-CA 3.47Å; L9-V45 PolarHBondContact N-O 3.48Å; L9-V45 PolarHBondContact O-N 3.16Å; L9-L47 HydrophobicContact CD1-CD1 3.19Å; L9-L47 HydrophobicContact CG-CD1 3.82Å; L9-A53 HydrophobicContact CD1-CB 4.43Å; L9-A53 HydrophobicContact CD2-CB 3.91Å; L9-A53 HydrophobicContact CG-CB 4.31Å; L9-A56 HydrophobicContact CD1-CB 3.91Å; L9-I57 HydrophobicContact CD1-CG1 4.33Å; L9-I57 HydrophobicContact CD2-CD1 3.57Å; L9-I57 HydrophobicContact CD2-CG1 3.72Å; L9-V72 HydrophobicContact CD1-CG1 4.06Å |
| 10 | F | 91.5 | Very high | 80.2 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 27% | 0.268 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.4 | 167.6 | 171.7 | -100.7 | 0 | 0 | 0 | 109.2 | F42 F44 V72 E73 | F10-F42 HydrophobicContact CE2-CB 3.61Å; F10-F42 HydrophobicContact CE2-CD2 4.15Å; F10-F42 HydrophobicContact CE2-CG 4.07Å; F10-F42 HydrophobicContact CZ-CB 3.94Å; F10-F44 HydrophobicContact CB-CD1 4.45Å; F10-F44 HydrophobicContact CB-CE1 4.36Å; F10-F44 HydrophobicContact CD2-CD1 4.15Å; F10-F44 AromaticContact CD2-CE1 3.59Å; F10-F44 HydrophobicContact CD2-CE1 3.59Å; F10-F44 HydrophobicContact CD2-CZ 4.05Å; F10-F44 HydrophobicContact CE2-CE1 4.43Å; F10-F44 HydrophobicContact CE2-CZ 4.47Å; F10-F44 HydrophobicContact CG-CE1 4.45Å; F10-V72 WeakPolarHBondContact O-CA 3.19Å; F10-E73 PolarHBondContact N-O 3.19Å; F10-E73 PolarHBondContact O-N 3.12Å |
| 11 | V | 90.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 110.1 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 107.8 | L14 L23 F27 F42 A43 V45 L70 V71 V72 | V11-L14 HydrophobicContact CB-CD1 4.04Å; V11-L14 HydrophobicContact CG1-CD1 3.78Å; V11-L14 HydrophobicContact CG1-CD2 4.08Å; V11-L14 HydrophobicContact CG1-CG 4Å; V11-L14 WeakPolarHBondContact O-CD1 3.32Å; V11-L23 HydrophobicContact CG1-CD2 4.27Å; V11-F27 HydrophobicContact CG1-CE2 4.49Å; V11-F27 HydrophobicContact CG1-CZ 4.47Å; V11-F27 HydrophobicContact CG2-CE1 4.38Å; V11-F27 HydrophobicContact CG2-CE2 3.69Å; V11-F27 HydrophobicContact CG2-CZ 3.38Å; V11-F42 CarbonylContact O-C 3.48Å; V11-F42 WeakPolarHBondContact O-CA 3.31Å; V11-F42 WeakPolarHBondContact O-CB 3.49Å; V11-A43 HydrophobicContact CB-CB 4.31Å; V11-A43 PolarHBondContact N-O 3.45Å; V11-A43 PolarHBondContact O-N 3.43Å; V11-V45 HydrophobicContact CG2-CG2 4.06Å; V11-L70 HydrophobicContact CG1-CD1 4.28Å; V11-V71 CarbonylContact C-O 3.56Å; V11-V71 WeakPolarHBondContact CA-O 3.48Å; V11-V72 HydrophobicContact CG1-CG2 4.26Å; V11-V72 HydrophobicContact CG2-CG2 4.48Å |
| 12 | G | 89.8 | Confident | 83 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 172.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L14 V71 | G12-L14 PolarHBondContact O-N 3.39Å; G12-V71 PolarHBondContact N-O 3.42Å; G12-V71 PolarHBondContact O-N 2.87Å |
| 13 | N | 89.8 | Confident | 85.1 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 58.6 | 32.6 | 179 | -162.3 | 31.1 | 0 | 0 | 0 | 114.2 | Q41 R68 N69 V71 | N13-Q41 PolarHBondContact N-O 3.14Å; N13-R68 WeakPolarHBondContact O-CB 3.31Å; N13-N69 WeakPolarHBondContact CB-O 3.26Å; N13-N69 PolarHBondContact ND2-O 3Å; N13-V71 HydrophobicContact CB-CG2 4.21Å |
| 14 | L | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -72.9 | 147.2 | 175.8 | -72.8 | 156.4 | 0 | 0 | 0 | 110.7 | V11 G12 T18 L23 Q41 A43 R68 L70 | V11-L14 HydrophobicContact CB-CD1 4.04Å; V11-L14 HydrophobicContact CG1-CD1 3.78Å; V11-L14 HydrophobicContact CG1-CD2 4.08Å; V11-L14 HydrophobicContact CG1-CG 4Å; V11-L14 WeakPolarHBondContact O-CD1 3.32Å; G12-L14 PolarHBondContact O-N 3.39Å; L14-T18 HydrophobicContact CD2-CG2 3.87Å; L14-L23 HydrophobicContact CD1-CD1 3.91Å; L14-L23 HydrophobicContact CD1-CD2 4.34Å; L14-L23 HydrophobicContact CD2-CD1 4.07Å; L14-L23 HydrophobicContact CD2-CD2 3.48Å; L14-L23 VanDerWaalsContact CD2-CD2 3.48Å; L14-L23 HydrophobicContact CD2-CG 4.19Å; L14-Q41 PolarHBondContact N-O 2.89Å; L14-A43 HydrophobicContact CD1-CB 3.51Å; L14-R68 PolarHBondContact O-NH1 3.34Å; L14-L70 HydrophobicContact CD2-CD1 4.48Å; L14-L70 HydrophobicContact CD2-CD2 3.47Å; L14-L70 VanDerWaalsContact CD2-CD2 3.47Å; L14-L70 HydrophobicContact CG-CD2 4.04Å | ||
| 15 | A | 88.3 | Confident | 88.4 | Confident | 9 Ų | 9 | 51 Ų | 51 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | trans | -66.4 | 144.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D17 T18 R66 | A15-D17 PolarHBondContact O-N 2.99Å; A15-D17 VanDerWaalsContact O-N 3.14Å; A15-T18 PolarHBondContact N-OG1 3.34Å; A15-T18 VanDerWaalsContact O-CB 3.23Å; A15-T18 WeakPolarHBondContact O-CB 3.47Å; A15-T18 PolarHBondContact O-N 2.9Å; A15-T18 PolarHBondContact O-OG1 3.17Å; A15-R66 HydrophobicContact CB-CB 4.03Å | ||
| 16 | L | 86.8 | Confident | 89.1 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27 | -179.6 | -75.5 | 151.5 | 0 | 0 | 0 | 112.7 | T18 Q41 | L16-T18 VanDerWaalsContact C-N 3.3Å; L16-Q41 HydrophobicContact CD2-CG 3.89Å; L16-Q41 HydrophobicContact CG-CG 4.03Å |
| 17 | D | 87.7 | Confident | 89.5 | Confident | 127 Ų | 127 | 44 Ų | 44 | 68% | 0.679 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3 | -178.4 | -54.5 | -32.3 | 0 | 0 | 0 | 112.5 | A15 T19 R66 | A15-D17 PolarHBondContact O-N 2.99Å; A15-D17 VanDerWaalsContact O-N 3.14Å; D17-T19 PolarHBondContact O-N 3.37Å; D17-R66 PolarHBondContact O-NH1 2.87Å |
| 18 | T | 86.4 | Confident | 89.6 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | trans | -69.8 | 127.9 | -175.2 | -50.5 | 0 | 0 | 0 | 0 | 109.9 | L14 A15 L16 L23 F65 | L14-T18 HydrophobicContact CD2-CG2 3.87Å; A15-T18 PolarHBondContact N-OG1 3.34Å; A15-T18 VanDerWaalsContact O-CB 3.23Å; A15-T18 WeakPolarHBondContact O-CB 3.47Å; A15-T18 PolarHBondContact O-N 2.9Å; A15-T18 PolarHBondContact O-OG1 3.17Å; L16-T18 VanDerWaalsContact C-N 3.3Å; T18-L23 HydrophobicContact CG2-CD1 3.9Å; T18-L23 HydrophobicContact CG2-CD2 4.34Å; T18-L23 HydrophobicContact CG2-CG 3.79Å; T18-F65 HydrophobicContact CG2-CD1 4.32Å; T18-F65 HydrophobicContact CG2-CE1 3.47Å; T18-F65 VanDerWaalsContact CG2-CE1 3.47Å; T18-F65 HydrophobicContact CG2-CZ 4.21Å | ||
| 19 | T | 90.5 | Very high | 89.6 | Confident | 58 Ų | 58 | 51 Ų | 51 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | trans | -97 | 167.3 | 177.9 | 77.7 | 0 | 0 | 0 | 0 | 112.1 | D17 E21 L23 | D17-T19 PolarHBondContact O-N 3.37Å; T19-E21 VanDerWaalsContact C-N 3.31Å; T19-E21 WeakPolarHBondContact CB-OE2 3.45Å; T19-E21 PolarHBondContact OG1-OE2 3.02Å; T19-L23 PolarHBondContact O-N 2.92Å | ||
| 20 | Q | 89.8 | Confident | 89.5 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 179.1 | -178.7 | 178.3 | -42.2 | 0 | 0 | 111.9 | L23 S24 C36 V38 | Q20-L23 PolarHBondContact O-N 3.49Å; Q20-S24 PolarHBondContact O-N 3.4Å; Q20-S24 PolarHBondContact O-OG 3.25Å; Q20-C36 HydrophobicContact CG-CB 3.88Å; Q20-C36 WeakPolarHBondContact CG-SG 3.38Å; Q20-C36 PolarHBondContact NE2-O 2.81Å; Q20-C36 PolarHBondContact NE2-SG 3.29Å; Q20-C36 PolarHBondContact OE1-O 3.46Å; Q20-V38 HydrophobicContact CB-CG2 3.79Å; Q20-V38 HydrophobicContact CG-CG2 4.28Å |
| 21 | E | 90.2 | Very high | 89.3 | Confident | 125 Ų | 125 | 51.1 Ų | 51.1 | 58% | 0.584 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | -178 | -58.9 | 74 | -156.1 | 0 | 0 | 110.9 | T19 L23 S24 A25 | T19-E21 VanDerWaalsContact C-N 3.31Å; T19-E21 WeakPolarHBondContact CB-OE2 3.45Å; T19-E21 PolarHBondContact OG1-OE2 3.02Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.17Å; E21-S24 VanDerWaalsContact C-OG 3.31Å; E21-S24 VanDerWaalsContact CA-OG 3.27Å; E21-S24 WeakPolarHBondContact CA-OG 3.05Å; E21-S24 PolarHBondContact O-N 3.45Å; E21-S24 PolarHBondContact O-OG 3.28Å; E21-A25 PolarHBondContact O-N 3.3Å |
| 22 | E | 90.4 | Very high | 89.2 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 29% | 0.285 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.8 | -65.2 | -177.8 | 153.8 | 0 | 0 | 111.1 | A25 I26 F65 R66 | E22-A25 PolarHBondContact O-N 3.45Å; E22-I26 VanDerWaalsContact O-CD1 3.25Å; E22-I26 WeakPolarHBondContact O-CD1 3.34Å; E22-I26 WeakPolarHBondContact O-CG1 3.38Å; E22-I26 PolarHBondContact O-N 3.27Å; E22-F65 HydrophobicContact CB-CZ 4.11Å; E22-R66 IonicContact OE1-CZ 3.54Å; E22-R66 IonicContact OE1-NE 3.99Å; E22-R66 IonicContact OE1-NH2 3.58Å; E22-R66 PolarHBondContact OE1-NH2 3.1Å; E22-R66 IonicContact OE2-CZ 3.66Å; E22-R66 IonicContact OE2-NE 2.72Å; E22-R66 PolarHBondContact OE2-NE 2.8Å; E22-R66 IonicContact OE2-NH1 3.14Å; E22-R66 IonicContact OE2-NH2 3.62Å; E22-R66 PolarHBondContact OE2-NH2 3.03Å |
| 23 | L | 89.8 | Confident | 89.3 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 175.8 | -75.9 | 164.1 | 0 | 0 | 0 | 110.9 | V11 L14 T18 T19 Q20 E21 A25 I26 F27 V38 A43 | V11-L23 HydrophobicContact CG1-CD2 4.27Å; L14-L23 HydrophobicContact CD1-CD1 3.91Å; L14-L23 HydrophobicContact CD1-CD2 4.34Å; L14-L23 HydrophobicContact CD2-CD1 4.07Å; L14-L23 HydrophobicContact CD2-CD2 3.48Å; L14-L23 VanDerWaalsContact CD2-CD2 3.48Å; L14-L23 HydrophobicContact CD2-CG 4.19Å; T18-L23 HydrophobicContact CG2-CD1 3.9Å; T18-L23 HydrophobicContact CG2-CD2 4.34Å; T18-L23 HydrophobicContact CG2-CG 3.79Å; T19-L23 PolarHBondContact O-N 2.92Å; Q20-L23 PolarHBondContact O-N 3.49Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.17Å; L23-A25 VanDerWaalsContact C-N 3.3Å; L23-A25 PolarHBondContact O-N 2.98Å; L23-I26 WeakPolarHBondContact O-CB 3.44Å; L23-I26 PolarHBondContact O-N 2.88Å; L23-I26 VanDerWaalsContact O-N 3.1Å; L23-F27 HydrophobicContact CD2-CE2 4.17Å; L23-F27 WeakPolarHBondContact O-CD2 3.45Å; L23-F27 PolarHBondContact O-N 3.32Å; L23-F27 VanDerWaalsContact O-N 3.1Å; L23-V38 HydrophobicContact CD1-CG1 4.31Å; L23-V38 HydrophobicContact CD1-CG2 3.58Å; L23-A43 HydrophobicContact CD1-CB 3.63Å |
| 24 | S | 90.1 | Very high | 89.2 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.3 | -43.1 | 177.2 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | Q20 E21 I26 F27 E28 | Q20-S24 PolarHBondContact O-N 3.4Å; Q20-S24 PolarHBondContact O-OG 3.25Å; E21-S24 VanDerWaalsContact C-OG 3.31Å; E21-S24 VanDerWaalsContact CA-OG 3.27Å; E21-S24 WeakPolarHBondContact CA-OG 3.05Å; E21-S24 PolarHBondContact O-N 3.45Å; E21-S24 PolarHBondContact O-OG 3.28Å; S24-I26 PolarHBondContact O-N 3.47Å; S24-F27 PolarHBondContact O-N 3.4Å; S24-F27 VanDerWaalsContact O-N 3.09Å; S24-E28 VanDerWaalsContact O-CB 3.3Å; S24-E28 WeakPolarHBondContact O-CB 3.43Å; S24-E28 PolarHBondContact O-N 2.85Å |
| 25 | A | 90.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.3 | -31.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E21 E22 L23 P29 | E21-A25 PolarHBondContact O-N 3.3Å; E22-A25 PolarHBondContact O-N 3.45Å; L23-A25 VanDerWaalsContact C-N 3.3Å; L23-A25 PolarHBondContact O-N 2.98Å; A25-P29 WeakPolarHBondContact O-CD 3.34Å |
| 26 | I | 89.9 | Confident | 88.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.108 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -74.7 | -35.6 | 176.9 | -64 | 158.6 | 0 | 0 | 0 | 111.4 | E22 L23 S24 P29 Y30 L60 R63 F65 | E22-I26 VanDerWaalsContact O-CD1 3.25Å; E22-I26 WeakPolarHBondContact O-CD1 3.34Å; E22-I26 WeakPolarHBondContact O-CG1 3.38Å; E22-I26 PolarHBondContact O-N 3.27Å; L23-I26 WeakPolarHBondContact O-CB 3.44Å; L23-I26 PolarHBondContact O-N 2.88Å; L23-I26 VanDerWaalsContact O-N 3.1Å; S24-I26 PolarHBondContact O-N 3.47Å; I26-P29 WeakPolarHBondContact O-CD 3.43Å; I26-Y30 VanDerWaalsContact O-CD2 3.3Å; I26-Y30 WeakPolarHBondContact O-CD2 2.95Å; I26-Y30 VanDerWaalsContact O-CE2 3.28Å; I26-Y30 WeakPolarHBondContact O-CE2 3.47Å; I26-L60 HydrophobicContact CG2-CD1 4.01Å; I26-L60 HydrophobicContact CG2-CD2 3.43Å; I26-L60 VanDerWaalsContact CG2-CD2 3.43Å; I26-L60 HydrophobicContact CG2-CG 4.36Å; I26-R63 VanDerWaalsContact CD1-NH2 3.32Å; I26-R63 VanDerWaalsContact CG1-NH2 3.32Å; I26-R63 VanDerWaalsContact CG2-CZ 3.44Å; I26-F65 HydrophobicContact CD1-CD2 3.78Å; I26-F65 HydrophobicContact CD1-CE2 3.54Å; I26-F65 HydrophobicContact CD1-CG 4.41Å; I26-F65 HydrophobicContact CD1-CZ 4.01Å |
| 27 | F | 90 | Very high | 89 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -88.8 | -23.6 | -176.2 | -79.8 | -82 | 0 | 0 | 0 | 113.5 | L9 V11 L23 S24 P29 Y30 G31 V33 V45 L47 A56 L60 V72 | L9-F27 HydrophobicContact CD1-CD1 4.32Å; L9-F27 HydrophobicContact CD1-CE1 3.83Å; V11-F27 HydrophobicContact CG1-CE2 4.49Å; V11-F27 HydrophobicContact CG1-CZ 4.47Å; V11-F27 HydrophobicContact CG2-CE1 4.38Å; V11-F27 HydrophobicContact CG2-CE2 3.69Å; V11-F27 HydrophobicContact CG2-CZ 3.38Å; L23-F27 HydrophobicContact CD2-CE2 4.17Å; L23-F27 WeakPolarHBondContact O-CD2 3.45Å; L23-F27 PolarHBondContact O-N 3.32Å; L23-F27 VanDerWaalsContact O-N 3.1Å; S24-F27 PolarHBondContact O-N 3.4Å; S24-F27 VanDerWaalsContact O-N 3.09Å; F27-P29 VanDerWaalsContact C-CD 3.49Å; F27-Y30 PolarHBondContact O-N 3.4Å; F27-Y30 VanDerWaalsContact O-N 3.08Å; F27-G31 PolarHBondContact O-N 2.7Å; F27-G31 VanDerWaalsContact O-N 3.15Å; F27-G31 VanDerWaalsContact O-O 3.13Å; F27-V33 HydrophobicContact CB-CG2 3.71Å; F27-V45 HydrophobicContact CB-CG1 4.32Å; F27-V45 HydrophobicContact CD1-CG1 4.47Å; F27-V45 HydrophobicContact CD2-CG1 4.44Å; F27-V45 HydrophobicContact CD2-CG2 4.11Å; F27-V45 HydrophobicContact CE2-CG2 4.15Å; F27-V45 HydrophobicContact CG-CG1 4.16Å; F27-L47 HydrophobicContact CD1-CD1 3.83Å; F27-L47 HydrophobicContact CE1-CD1 4.43Å; F27-A56 HydrophobicContact CD1-CB 4.04Å; F27-A56 HydrophobicContact CE1-CB 4.11Å; F27-L60 HydrophobicContact CD1-CD1 3.43Å; F27-L60 VanDerWaalsContact CD1-CD1 3.43Å; F27-L60 HydrophobicContact CD2-CD1 4.33Å; F27-L60 HydrophobicContact CE1-CD1 3.27Å; F27-L60 HydrophobicContact CE2-CD1 4.17Å; F27-L60 HydrophobicContact CG-CD1 3.98Å; F27-L60 HydrophobicContact CZ-CD1 3.65Å; F27-V72 HydrophobicContact CE1-CG1 4.12Å; F27-V72 HydrophobicContact CZ-CG1 4.18Å; F27-V72 HydrophobicContact CZ-CG2 4.05Å |
| 28 | E | 89.3 | Confident | 89.1 | Confident | 141 Ų | 141 | 56.3 Ų | 56.3 | 66% | 0.659 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -42.6 | 177.8 | -171.2 | 167 | -161 | 0 | 0 | 115.3 | S24 Y30 G31 | S24-E28 VanDerWaalsContact O-CB 3.3Å; S24-E28 WeakPolarHBondContact O-CB 3.43Å; S24-E28 PolarHBondContact O-N 2.85Å; E28-Y30 PolarHBondContact O-N 2.94Å; E28-G31 WeakPolarHBondContact CA-O 2.99Å |
| 29 | P | 90.2 | Very high | 89 | Confident | 98 Ų | 98 | 59.2 Ų | 59.2 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.9 | 178 | 24.1 | -33.2 | 0 | 0 | 0 | 113.8 | A25 I26 F27 | A25-P29 WeakPolarHBondContact O-CD 3.34Å; I26-P29 WeakPolarHBondContact O-CD 3.43Å; F27-P29 VanDerWaalsContact C-CD 3.49Å |
| 30 | Y | 88.8 | Confident | 88.7 | Confident | 50 Ų | 50 | 66 Ų | 66 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -30.3 | -177.3 | -57.9 | -81.9 | 0 | 0 | 0 | 112.3 | I26 F27 E28 A52 R55 A56 E59 L60 | I26-Y30 VanDerWaalsContact O-CD2 3.3Å; I26-Y30 WeakPolarHBondContact O-CD2 2.95Å; I26-Y30 VanDerWaalsContact O-CE2 3.28Å; I26-Y30 WeakPolarHBondContact O-CE2 3.47Å; F27-Y30 PolarHBondContact O-N 3.4Å; F27-Y30 VanDerWaalsContact O-N 3.08Å; E28-Y30 PolarHBondContact O-N 2.94Å; Y30-A52 WeakPolarHBondContact O-CA 3.15Å; Y30-A52 WeakPolarHBondContact O-CB 3.31Å; Y30-R55 HydrophobicContact CD1-CB 4.4Å; Y30-R55 PolarHBondContact O-NH2 3.33Å; Y30-A56 HydrophobicContact CG-CB 4.18Å; Y30-E59 HydrophobicContact CE1-CB 3.75Å; Y30-E59 HydrophobicContact CE1-CG 4.02Å; Y30-L60 HydrophobicContact CD2-CD1 3.86Å; Y30-L60 HydrophobicContact CD2-CD2 4.33Å; Y30-L60 HydrophobicContact CD2-CG 4.2Å; Y30-L60 HydrophobicContact CE2-CD1 3.96Å; Y30-L60 HydrophobicContact CE2-CD2 3.57Å; Y30-L60 HydrophobicContact CE2-CG 3.85Å |
| 31 | G | 86.6 | Confident | 88.6 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 13% | 0.134 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -173.9 | 169.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F27 E28 V33 L47 | F27-G31 PolarHBondContact O-N 2.7Å; F27-G31 VanDerWaalsContact O-N 3.15Å; F27-G31 VanDerWaalsContact O-O 3.13Å; E28-G31 WeakPolarHBondContact CA-O 2.99Å; G31-V33 PolarHBondContact O-N 2.79Å; G31-L47 VanDerWaalsContact C-CD2 3.46Å; G31-L47 WeakPolarHBondContact O-CD2 3.44Å |
| 32 | Q | 88.5 | Confident | 88.5 | Confident | 134 Ų | 134 | 63.5 Ų | 63.5 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 118.8 | 177.9 | -174 | 168.7 | 13.9 | 0 | 0 | 110.4 | V34 L47 Q48 | Q32-V34 PolarHBondContact O-N 3.29Å; Q32-L47 WeakPolarHBondContact O-CA 3.16Å; Q32-Q48 HydrophobicContact CB-CB 4.22Å; Q32-Q48 PolarHBondContact O-N 3.32Å; Q32-Q48 VanDerWaalsContact OE1-OE1 3.07Å |
| 33 | V | 90.8 | Very high | 88.5 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 113.2 | 177.8 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | F27 G31 C36 V45 L47 | F27-V33 HydrophobicContact CB-CG2 3.71Å; G31-V33 PolarHBondContact O-N 2.79Å; V33-C36 HydrophobicContact CG1-CB 4.05Å; V33-V45 HydrophobicContact CB-CG1 4.49Å; V33-V45 HydrophobicContact CG1-CG1 3.77Å; V33-V45 HydrophobicContact CG2-CG1 4.01Å; V33-L47 HydrophobicContact CG2-CD2 4.21Å |
| 34 | V | 89.2 | Confident | 88.6 | Confident | 84 Ų | 84 | 62.8 Ų | 62.8 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -40.5 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 111 | T6 Q32 H46 Q48 | T6-V34 HydrophobicContact CG2-CB 4.5Å; T6-V34 HydrophobicContact CG2-CG2 3.88Å; Q32-V34 PolarHBondContact O-N 3.29Å; V34-H46 HydrophobicContact CB-CB 4.36Å; V34-H46 PolarHBondContact N-O 3.4Å; V34-Q48 HydrophobicContact CG2-CB 3.81Å |
| 35 | S | 84.2 | Confident | 88.7 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 42% | 0.42 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 127.9 | -178.6 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | H46 | S35-H46 WeakPolarHBondContact O-CB 3.49Å; S35-H46 PolarHBondContact O-N 2.99Å; S35-H46 PolarHBondContact O-ND1 3.2Å; S35-H46 VanDerWaalsContact O-ND1 3.13Å |
| 36 | C | 88.2 | Confident | 88.6 | Confident | 16 Ų | 16 | 61 Ų | 61 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.2 | 175 | 40.5 | 0 | 0 | 0 | 0 | 109.8 | Q20 V33 F44 V45 | Q20-C36 HydrophobicContact CG-CB 3.88Å; Q20-C36 WeakPolarHBondContact CG-SG 3.38Å; Q20-C36 PolarHBondContact NE2-O 2.81Å; Q20-C36 PolarHBondContact NE2-SG 3.29Å; Q20-C36 PolarHBondContact OE1-O 3.46Å; V33-C36 HydrophobicContact CG1-CB 4.05Å; C36-F44 CarbonylContact C-O 3.57Å; C36-F44 WeakPolarHBondContact CA-O 3.34Å; C36-V45 HydrophobicContact CB-CG2 4.32Å |
| 37 | S | 88.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 60 Ų | 60 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 112.5 | -179.6 | -178 | 0 | 0 | 0 | 0 | 108.8 | L39 A43 F44 | S37-L39 WeakPolarHBondContact OG-CD1 3.39Å; S37-A43 CarbonylContact O-C 3.51Å; S37-A43 VanDerWaalsContact O-CA 3.23Å; S37-A43 WeakPolarHBondContact O-CA 3.32Å; S37-F44 PolarHBondContact N-O 2.97Å; S37-F44 PolarHBondContact O-N 3.26Å |
| 38 | V | 89.6 | Confident | 88.6 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 26% | 0.261 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.8 | -178.8 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | Q20 L23 A43 | Q20-V38 HydrophobicContact CB-CG2 3.79Å; Q20-V38 HydrophobicContact CG-CG2 4.28Å; L23-V38 HydrophobicContact CD1-CG1 4.31Å; L23-V38 HydrophobicContact CD1-CG2 3.58Å; V38-A43 HydrophobicContact CB-CB 4.33Å; V38-A43 HydrophobicContact CG1-CB 4.35Å; V38-A43 HydrophobicContact CG2-CB 4.04Å |
| 39 | L | 84.4 | Confident | 88.3 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 37% | 0.372 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 101 | 178.6 | -77.1 | 89.5 | 0 | 0 | 0 | 110.4 | S37 Q41 F42 F44 | S37-L39 WeakPolarHBondContact OG-CD1 3.39Å; L39-Q41 PolarHBondContact O-N 3.26Å; L39-F42 CarbonylContact C-O 3.37Å; L39-F42 VanDerWaalsContact C-O 3.24Å; L39-F42 WeakPolarHBondContact CA-O 3.18Å; L39-F42 HydrophobicContact CB-CD2 3.78Å; L39-F42 HydrophobicContact CB-CE1 4.38Å; L39-F42 HydrophobicContact CB-CE2 3.36Å; L39-F42 HydrophobicContact CB-CG 4.46Å; L39-F42 HydrophobicContact CB-CZ 3.69Å; L39-F42 HydrophobicContact CD1-CE2 4.45Å; L39-F42 HydrophobicContact CD2-CE2 3.85Å; L39-F42 HydrophobicContact CD2-CZ 4.12Å; L39-F42 HydrophobicContact CG-CE2 4.08Å; L39-F42 PolarHBondContact N-O 2.88Å; L39-F42 WeakPolarHBondContact O-CD1 3.33Å; L39-F42 WeakPolarHBondContact O-CG 3.41Å; L39-F42 PolarHBondContact O-N 2.78Å; L39-F44 HydrophobicContact CD1-CD2 4.13Å; L39-F44 HydrophobicContact CD1-CE2 4.41Å |
| 40 | R | 84.2 | Confident | 87.4 | Confident | 201 Ų | 201 | 60.1 Ų | 60.1 | 76% | 0.758 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | -91.1 | 175.1 | -59.3 | 178.6 | 69.7 | -166.4 | 1.1 | 113.6 | ||
| 41 | Q | 85.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 8.4 | -176.7 | -65.8 | -174.2 | -22.6 | 0 | 0 | 112.7 | N13 L14 L16 L39 | N13-Q41 PolarHBondContact N-O 3.14Å; L14-Q41 PolarHBondContact N-O 2.89Å; L16-Q41 HydrophobicContact CD2-CG 3.89Å; L16-Q41 HydrophobicContact CG-CG 4.03Å; L39-Q41 PolarHBondContact O-N 3.26Å |
| 42 | F | 89.8 | Confident | 87.4 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 161.5 | 174.9 | 55.6 | -88.8 | 0 | 0 | 0 | 110.7 | F10 V11 L39 F44 | F10-F42 HydrophobicContact CE2-CB 3.61Å; F10-F42 HydrophobicContact CE2-CD2 4.15Å; F10-F42 HydrophobicContact CE2-CG 4.07Å; F10-F42 HydrophobicContact CZ-CB 3.94Å; V11-F42 CarbonylContact O-C 3.48Å; V11-F42 WeakPolarHBondContact O-CA 3.31Å; V11-F42 WeakPolarHBondContact O-CB 3.49Å; L39-F42 CarbonylContact C-O 3.37Å; L39-F42 VanDerWaalsContact C-O 3.24Å; L39-F42 WeakPolarHBondContact CA-O 3.18Å; L39-F42 HydrophobicContact CB-CD2 3.78Å; L39-F42 HydrophobicContact CB-CE1 4.38Å; L39-F42 HydrophobicContact CB-CE2 3.36Å; L39-F42 HydrophobicContact CB-CG 4.46Å; L39-F42 HydrophobicContact CB-CZ 3.69Å; L39-F42 HydrophobicContact CD1-CE2 4.45Å; L39-F42 HydrophobicContact CD2-CE2 3.85Å; L39-F42 HydrophobicContact CD2-CZ 4.12Å; L39-F42 HydrophobicContact CG-CE2 4.08Å; L39-F42 PolarHBondContact N-O 2.88Å; L39-F42 WeakPolarHBondContact O-CD1 3.33Å; L39-F42 WeakPolarHBondContact O-CG 3.41Å; L39-F42 PolarHBondContact O-N 2.78Å; F42-F44 AromaticContact CD2-CE2 3.89Å; F42-F44 HydrophobicContact CD2-CE2 3.89Å; F42-F44 HydrophobicContact CD2-CZ 4.27Å; F42-F44 AromaticContact CE2-CE2 3.85Å; F42-F44 HydrophobicContact CE2-CE2 3.85Å; F42-F44 HydrophobicContact CE2-CZ 4.35Å |
| 43 | A | 90.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | V11 L14 L23 S37 V38 | V11-A43 HydrophobicContact CB-CB 4.31Å; V11-A43 PolarHBondContact N-O 3.45Å; V11-A43 PolarHBondContact O-N 3.43Å; L14-A43 HydrophobicContact CD1-CB 3.51Å; L23-A43 HydrophobicContact CD1-CB 3.63Å; S37-A43 CarbonylContact O-C 3.51Å; S37-A43 VanDerWaalsContact O-CA 3.23Å; S37-A43 WeakPolarHBondContact O-CA 3.32Å; V38-A43 HydrophobicContact CB-CB 4.33Å; V38-A43 HydrophobicContact CG1-CB 4.35Å; V38-A43 HydrophobicContact CG2-CB 4.04Å |
| 44 | F | 91.1 | Very high | 87.3 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 20% | 0.202 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124 | 172.2 | -63.4 | -74.5 | 0 | 0 | 0 | 109.1 | L9 F10 C36 S37 L39 F42 | L9-F44 CarbonylContact O-C 3.48Å; L9-F44 VanDerWaalsContact O-CA 3.3Å; L9-F44 WeakPolarHBondContact O-CA 3.47Å; F10-F44 HydrophobicContact CB-CD1 4.45Å; F10-F44 HydrophobicContact CB-CE1 4.36Å; F10-F44 HydrophobicContact CD2-CD1 4.15Å; F10-F44 AromaticContact CD2-CE1 3.59Å; F10-F44 HydrophobicContact CD2-CE1 3.59Å; F10-F44 HydrophobicContact CD2-CZ 4.05Å; F10-F44 HydrophobicContact CE2-CE1 4.43Å; F10-F44 HydrophobicContact CE2-CZ 4.47Å; F10-F44 HydrophobicContact CG-CE1 4.45Å; C36-F44 CarbonylContact C-O 3.57Å; C36-F44 WeakPolarHBondContact CA-O 3.34Å; S37-F44 PolarHBondContact N-O 2.97Å; S37-F44 PolarHBondContact O-N 3.26Å; L39-F44 HydrophobicContact CD1-CD2 4.13Å; L39-F44 HydrophobicContact CD1-CE2 4.41Å; F42-F44 AromaticContact CD2-CE2 3.89Å; F42-F44 HydrophobicContact CD2-CE2 3.89Å; F42-F44 HydrophobicContact CD2-CZ 4.27Å; F42-F44 AromaticContact CE2-CE2 3.85Å; F42-F44 HydrophobicContact CE2-CE2 3.85Å; F42-F44 HydrophobicContact CE2-CZ 4.35Å |
| 45 | V | 91.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.1 | -178.6 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | L9 V11 F27 V33 C36 L47 | L9-V45 PolarHBondContact N-O 3.48Å; L9-V45 PolarHBondContact O-N 3.16Å; V11-V45 HydrophobicContact CG2-CG2 4.06Å; F27-V45 HydrophobicContact CB-CG1 4.32Å; F27-V45 HydrophobicContact CD1-CG1 4.47Å; F27-V45 HydrophobicContact CD2-CG1 4.44Å; F27-V45 HydrophobicContact CD2-CG2 4.11Å; F27-V45 HydrophobicContact CE2-CG2 4.15Å; F27-V45 HydrophobicContact CG-CG1 4.16Å; V33-V45 HydrophobicContact CB-CG1 4.49Å; V33-V45 HydrophobicContact CG1-CG1 3.77Å; V33-V45 HydrophobicContact CG2-CG1 4.01Å; C36-V45 HydrophobicContact CB-CG2 4.32Å; V45-L47 HydrophobicContact CG1-CD1 4.26Å; V45-L47 HydrophobicContact CG1-CG 4.23Å |
| 46 | H | 90.2 | Very high | 87.6 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 26% | 0.255 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.9 | 172.8 | -60.8 | 78.4 | 0 | 0 | 0 | 107.8 | V7 V34 S35 | V7-H46 WeakPolarHBondContact O-CA 3.06Å; V34-H46 HydrophobicContact CB-CB 4.36Å; V34-H46 PolarHBondContact N-O 3.4Å; S35-H46 WeakPolarHBondContact O-CB 3.49Å; S35-H46 PolarHBondContact O-N 2.99Å; S35-H46 PolarHBondContact O-ND1 3.2Å; S35-H46 VanDerWaalsContact O-ND1 3.13Å |
| 47 | L | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139.5 | 175.4 | -81.2 | 139.8 | 0 | 0 | 0 | 109.7 | T6 V7 L9 F27 G31 Q32 V33 V45 A56 | T6-L47 CarbonylContact C-O 3.59Å; T6-L47 VanDerWaalsContact CA-O 3.25Å; T6-L47 WeakPolarHBondContact CA-O 3.47Å; V7-L47 PolarHBondContact N-O 2.99Å; V7-L47 PolarHBondContact O-N 3.11Å; L9-L47 HydrophobicContact CD1-CD1 3.19Å; L9-L47 HydrophobicContact CG-CD1 3.82Å; F27-L47 HydrophobicContact CD1-CD1 3.83Å; F27-L47 HydrophobicContact CE1-CD1 4.43Å; G31-L47 VanDerWaalsContact C-CD2 3.46Å; G31-L47 WeakPolarHBondContact O-CD2 3.44Å; Q32-L47 WeakPolarHBondContact O-CA 3.16Å; V33-L47 HydrophobicContact CG2-CD2 4.21Å; V45-L47 HydrophobicContact CG1-CD1 4.26Å; V45-L47 HydrophobicContact CG1-CG 4.23Å; L47-A56 HydrophobicContact CD1-CB 4.29Å |
| 48 | Q | 88.8 | Confident | 87.8 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.8 | 170.2 | -165 | 170.2 | 9.1 | 0 | 0 | 109.1 | Q32 V34 | Q32-Q48 HydrophobicContact CB-CB 4.22Å; Q32-Q48 PolarHBondContact O-N 3.32Å; Q32-Q48 VanDerWaalsContact OE1-OE1 3.07Å; V34-Q48 HydrophobicContact CG2-CB 3.81Å |
| 49 | G | 82.4 | Confident | 87.9 | Confident | 12 Ų | 12 | 65.8 Ų | 65.8 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 103.1 | 123.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | H5 A52 A53 | H5-G49 VanDerWaalsContact CE1-CA 3.46Å; H5-G49 WeakPolarHBondContact CE1-CA 3.42Å; H5-G49 PolarHBondContact ND1-N 3.18Å; H5-G49 PolarHBondContact O-N 3.5Å; G49-A52 WeakPolarHBondContact O-CB 3.29Å; G49-A52 PolarHBondContact O-N 3.5Å; G49-A53 PolarHBondContact O-N 3.18Å |
| 50 | E | 72.9 | Confident | 88.1 | Confident | 139 Ų | 139 | 62.6 Ų | 62.6 | 65% | 0.65 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60 | -49.2 | 177.2 | -166 | 173.6 | 176 | 0 | 0 | 111.4 | V7 A52 A53 | V7-E50 HydrophobicContact CG2-CB 4.45Å; V7-E50 HydrophobicContact CG2-CG 4.49Å; E50-A52 VanDerWaalsContact C-N 3.26Å; E50-A52 PolarHBondContact O-N 3.3Å; E50-A53 PolarHBondContact O-N 2.98Å |
| 51 | G | 85.2 | Confident | 88.5 | Confident | 44 Ų | 44 | 57 Ų | 57 | 45% | 0.454 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.1 | -15.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R55 | G51-R55 WeakPolarHBondContact O-CG 3.49Å; G51-R55 PolarHBondContact O-N 3.08Å; G51-R55 PolarHBondContact O-NE 3.49Å |
| 52 | A | 88.4 | Confident | 88.7 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.3 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y30 G49 E50 R55 A56 | Y30-A52 WeakPolarHBondContact O-CA 3.15Å; Y30-A52 WeakPolarHBondContact O-CB 3.31Å; G49-A52 WeakPolarHBondContact O-CB 3.29Å; G49-A52 PolarHBondContact O-N 3.5Å; E50-A52 VanDerWaalsContact C-N 3.26Å; E50-A52 PolarHBondContact O-N 3.3Å; A52-R55 PolarHBondContact O-N 2.61Å; A52-A56 WeakPolarHBondContact O-CB 3.41Å; A52-A56 PolarHBondContact O-N 3.39Å |
| 53 | A | 88.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V7 L9 G49 E50 R55 A56 I57 | V7-A53 HydrophobicContact CB-CB 3.61Å; V7-A53 HydrophobicContact CG1-CB 3.5Å; V7-A53 HydrophobicContact CG2-CB 4.1Å; L9-A53 HydrophobicContact CD1-CB 4.43Å; L9-A53 HydrophobicContact CD2-CB 3.91Å; L9-A53 HydrophobicContact CG-CB 4.31Å; G49-A53 PolarHBondContact O-N 3.18Å; E50-A53 PolarHBondContact O-N 2.98Å; A53-R55 VanDerWaalsContact C-N 3.31Å; A53-R55 PolarHBondContact O-N 2.76Å; A53-A56 WeakPolarHBondContact O-CB 3.32Å; A53-A56 PolarHBondContact O-N 2.89Å; A53-I57 VanDerWaalsContact O-CG1 3.29Å; A53-I57 WeakPolarHBondContact O-CG1 3.21Å; A53-I57 PolarHBondContact O-N 3.45Å |
| 54 | D | 89.2 | Confident | 88.6 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 178.6 | -68.1 | -40.1 | 0 | 0 | 0 | 113.6 | R58 | D54-R58 WeakPolarHBondContact O-CB 3.13Å; D54-R58 WeakPolarHBondContact O-CG 3.48Å; D54-R58 PolarHBondContact O-N 3.38Å; D54-R58 PolarHBondContact O-NE 3.37Å |
| 55 | R | 90.8 | Very high | 88.4 | Confident | 131 Ų | 131 | 60.3 Ų | 60.3 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.1 | -45.8 | 174.5 | -69.3 | -177.7 | -56.4 | -172.8 | 9.3 | 110.4 | Y30 G51 A52 A53 I57 R58 E59 | Y30-R55 HydrophobicContact CD1-CB 4.4Å; Y30-R55 PolarHBondContact O-NH2 3.33Å; G51-R55 WeakPolarHBondContact O-CG 3.49Å; G51-R55 PolarHBondContact O-N 3.08Å; G51-R55 PolarHBondContact O-NE 3.49Å; A52-R55 PolarHBondContact O-N 2.61Å; A53-R55 VanDerWaalsContact C-N 3.31Å; A53-R55 PolarHBondContact O-N 2.76Å; R55-I57 PolarHBondContact O-N 2.97Å; R55-R58 PolarHBondContact O-N 3.43Å; R55-E59 PolarHBondContact O-N 2.95Å |
| 56 | A | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L9 F27 Y30 L47 A52 A53 E59 L60 | L9-A56 HydrophobicContact CD1-CB 3.91Å; F27-A56 HydrophobicContact CD1-CB 4.04Å; F27-A56 HydrophobicContact CE1-CB 4.11Å; Y30-A56 HydrophobicContact CG-CB 4.18Å; L47-A56 HydrophobicContact CD1-CB 4.29Å; A52-A56 WeakPolarHBondContact O-CB 3.41Å; A52-A56 PolarHBondContact O-N 3.39Å; A53-A56 WeakPolarHBondContact O-CB 3.32Å; A53-A56 PolarHBondContact O-N 2.89Å; A56-E59 PolarHBondContact O-N 3.46Å; A56-L60 HydrophobicContact CB-CD1 4.08Å; A56-L60 WeakPolarHBondContact O-CA 3.32Å; A56-L60 WeakPolarHBondContact O-CB 3.41Å; A56-L60 VanDerWaalsContact O-CG 3.32Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 2.95Å |
| 57 | I | 91.5 | Very high | 87.9 | Confident | 32 Ų | 32 | 65.9 Ų | 65.9 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -48 | 177.6 | -68.7 | 161.3 | 0 | 0 | 0 | 110.7 | L9 A53 R55 E59 N61 V72 E74 | L9-I57 HydrophobicContact CD1-CG1 4.33Å; L9-I57 HydrophobicContact CD2-CD1 3.57Å; L9-I57 HydrophobicContact CD2-CG1 3.72Å; A53-I57 VanDerWaalsContact O-CG1 3.29Å; A53-I57 WeakPolarHBondContact O-CG1 3.21Å; A53-I57 PolarHBondContact O-N 3.45Å; R55-I57 PolarHBondContact O-N 2.97Å; I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 3.15Å; I57-N61 WeakPolarHBondContact O-CB 3.24Å; I57-N61 PolarHBondContact O-N 3.28Å; I57-N61 VanDerWaalsContact O-N 3.12Å; I57-V72 HydrophobicContact CG1-CG1 3.98Å; I57-E74 HydrophobicContact CD1-CB 4.07Å |
| 58 | R | 90.4 | Very high | 87.8 | Confident | 187 Ų | 187 | 69.8 Ų | 69.8 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.8 | -33.7 | -176 | -79.3 | -179.4 | -76.1 | 157.5 | -11.2 | 113.7 | D54 R55 | D54-R58 WeakPolarHBondContact O-CB 3.13Å; D54-R58 WeakPolarHBondContact O-CG 3.48Å; D54-R58 PolarHBondContact O-N 3.38Å; D54-R58 PolarHBondContact O-NE 3.37Å; R55-R58 PolarHBondContact O-N 3.43Å |
| 59 | E | 89.8 | Confident | 87.9 | Confident | 132 Ų | 132 | 69.7 Ų | 69.7 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -103.4 | -28 | -170.8 | -153.2 | 148.1 | -179.6 | 0 | 0 | 113.3 | Y30 R55 A56 I57 | Y30-E59 HydrophobicContact CE1-CB 3.75Å; Y30-E59 HydrophobicContact CE1-CG 4.02Å; R55-E59 PolarHBondContact O-N 2.95Å; A56-E59 PolarHBondContact O-N 3.46Å; I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 3.15Å |
| 60 | L | 90.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -93.4 | -21.5 | 178.9 | -57.5 | 174.5 | 0 | 0 | 0 | 113.1 | I26 F27 Y30 A56 G62 R63 V72 | I26-L60 HydrophobicContact CG2-CD1 4.01Å; I26-L60 HydrophobicContact CG2-CD2 3.43Å; I26-L60 VanDerWaalsContact CG2-CD2 3.43Å; I26-L60 HydrophobicContact CG2-CG 4.36Å; F27-L60 HydrophobicContact CD1-CD1 3.43Å; F27-L60 VanDerWaalsContact CD1-CD1 3.43Å; F27-L60 HydrophobicContact CD2-CD1 4.33Å; F27-L60 HydrophobicContact CE1-CD1 3.27Å; F27-L60 HydrophobicContact CE2-CD1 4.17Å; F27-L60 HydrophobicContact CG-CD1 3.98Å; F27-L60 HydrophobicContact CZ-CD1 3.65Å; Y30-L60 HydrophobicContact CD2-CD1 3.86Å; Y30-L60 HydrophobicContact CD2-CD2 4.33Å; Y30-L60 HydrophobicContact CD2-CG 4.2Å; Y30-L60 HydrophobicContact CE2-CD1 3.96Å; Y30-L60 HydrophobicContact CE2-CD2 3.57Å; Y30-L60 HydrophobicContact CE2-CG 3.85Å; A56-L60 HydrophobicContact CB-CD1 4.08Å; A56-L60 WeakPolarHBondContact O-CA 3.32Å; A56-L60 WeakPolarHBondContact O-CB 3.41Å; A56-L60 VanDerWaalsContact O-CG 3.32Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 2.95Å; L60-G62 PolarHBondContact O-N 2.74Å; L60-R63 WeakPolarHBondContact O-CG 3.06Å; L60-R63 PolarHBondContact O-N 2.82Å; L60-V72 HydrophobicContact CB-CG2 3.78Å |
| 61 | N | 92.3 | Very high | 89.2 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 122.6 | 174.6 | -169.5 | 23.7 | 0 | 0 | 0 | 110.1 | I57 R63 V71 V72 | I57-N61 WeakPolarHBondContact O-CB 3.24Å; I57-N61 PolarHBondContact O-N 3.28Å; I57-N61 VanDerWaalsContact O-N 3.12Å; N61-R63 VanDerWaalsContact C-N 3.34Å; N61-V71 WeakPolarHBondContact OD1-CA 3.36Å; N61-V72 HydrophobicContact CB-CB 4.18Å; N61-V72 PolarHBondContact OD1-N 3Å |
| 62 | G | 88.9 | Confident | 89.5 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -7.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L60 N69 L70 | L60-G62 PolarHBondContact O-N 2.74Å; G62-N69 PolarHBondContact O-ND2 3.02Å; G62-L70 WeakPolarHBondContact CA-O 3.44Å; G62-L70 PolarHBondContact N-O 3.34Å |
| 63 | R | 89.9 | Confident | 89.5 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | trans | -65.2 | 138.9 | 179 | 91.1 | -176.3 | -105.3 | -88.8 | 5.7 | 110.6 | I26 L60 N61 F65 N69 L70 | I26-R63 VanDerWaalsContact CD1-NH2 3.32Å; I26-R63 VanDerWaalsContact CG1-NH2 3.32Å; I26-R63 VanDerWaalsContact CG2-CZ 3.44Å; L60-R63 WeakPolarHBondContact O-CG 3.06Å; L60-R63 PolarHBondContact O-N 2.82Å; N61-R63 VanDerWaalsContact C-N 3.34Å; R63-F65 PolarHBondContact O-N 3.1Å; R63-N69 CarbonylContact O-C 3.23Å; R63-N69 VanDerWaalsContact O-CA 3.31Å; R63-N69 WeakPolarHBondContact O-CA 3.4Å; R63-L70 HydrophobicContact CG-CB 4.24Å; R63-L70 HydrophobicContact CG-CD1 4.02Å; R63-L70 HydrophobicContact CG-CG 4.09Å; R63-L70 PolarHBondContact O-N 2.68Å | ||
| 64 | E | 89.9 | Confident | 89.5 | Confident | 140 Ų | 140 | 72.7 Ų | 72.7 | 65% | 0.654 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 125 | 174 | -164.9 | 178.8 | 166.9 | 0 | 0 | 110.5 | G67 | E64-G67 WeakPolarHBondContact OE1-CA 3.37Å |
| 65 | F | 86.3 | Confident | 88.9 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118.6 | 173.5 | -173.5 | -105 | 0 | 0 | 0 | 109.3 | T18 E22 I26 R63 G67 R68 L70 | T18-F65 HydrophobicContact CG2-CD1 4.32Å; T18-F65 HydrophobicContact CG2-CE1 3.47Å; T18-F65 VanDerWaalsContact CG2-CE1 3.47Å; T18-F65 HydrophobicContact CG2-CZ 4.21Å; E22-F65 HydrophobicContact CB-CZ 4.11Å; I26-F65 HydrophobicContact CD1-CD2 3.78Å; I26-F65 HydrophobicContact CD1-CE2 3.54Å; I26-F65 HydrophobicContact CD1-CG 4.41Å; I26-F65 HydrophobicContact CD1-CZ 4.01Å; R63-F65 PolarHBondContact O-N 3.1Å; F65-G67 VanDerWaalsContact C-N 3.27Å; F65-G67 PolarHBondContact O-N 2.93Å; F65-R68 PolarHBondContact N-O 2.87Å; F65-R68 PolarHBondContact O-N 2.77Å; F65-R68 VanDerWaalsContact O-N 3.09Å; F65-R68 VanDerWaalsContact O-O 3.06Å; F65-L70 HydrophobicContact CB-CD1 3.98Å; F65-L70 HydrophobicContact CB-CD2 3.82Å; F65-L70 HydrophobicContact CB-CG 3.72Å; F65-L70 HydrophobicContact CD1-CD2 4.33Å; F65-L70 HydrophobicContact CG-CD1 4.44Å; F65-L70 HydrophobicContact CG-CD2 4.45Å |
| 66 | R | 84.1 | Confident | 87.8 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 42.3 | -178.6 | -63 | -178.3 | 164.1 | -162.2 | -5.3 | 113.3 | A15 D17 E22 R68 | A15-R66 HydrophobicContact CB-CB 4.03Å; D17-R66 PolarHBondContact O-NH1 2.87Å; E22-R66 IonicContact OE1-CZ 3.54Å; E22-R66 IonicContact OE1-NE 3.99Å; E22-R66 IonicContact OE1-NH2 3.58Å; E22-R66 PolarHBondContact OE1-NH2 3.1Å; E22-R66 IonicContact OE2-CZ 3.66Å; E22-R66 IonicContact OE2-NE 2.72Å; E22-R66 PolarHBondContact OE2-NE 2.8Å; E22-R66 IonicContact OE2-NH1 3.14Å; E22-R66 IonicContact OE2-NH2 3.62Å; E22-R66 PolarHBondContact OE2-NH2 3.03Å; R66-R68 VanDerWaalsContact C-N 3.3Å; R66-R68 PolarHBondContact O-N 2.77Å |
| 67 | G | 86.6 | Confident | 86.3 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 58% | 0.577 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 13.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E64 F65 | E64-G67 WeakPolarHBondContact OE1-CA 3.37Å; F65-G67 VanDerWaalsContact C-N 3.27Å; F65-G67 PolarHBondContact O-N 2.93Å |
| 68 | R | 88.4 | Confident | 84.8 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 31% | 0.309 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.9 | 177.1 | -61.6 | -176.2 | -176.5 | -176.5 | -2.8 | 110.7 | N13 L14 F65 R66 L70 | N13-R68 WeakPolarHBondContact O-CB 3.31Å; L14-R68 PolarHBondContact O-NH1 3.34Å; F65-R68 PolarHBondContact N-O 2.87Å; F65-R68 PolarHBondContact O-N 2.77Å; F65-R68 VanDerWaalsContact O-N 3.09Å; F65-R68 VanDerWaalsContact O-O 3.06Å; R66-R68 VanDerWaalsContact C-N 3.3Å; R66-R68 PolarHBondContact O-N 2.77Å; R68-L70 PolarHBondContact O-N 3.27Å |
| 69 | N | 91.4 | Very high | 83.2 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 120.4 | 174.8 | -57.5 | 77 | 0 | 0 | 0 | 109.9 | N13 G62 R63 | N13-N69 WeakPolarHBondContact CB-O 3.26Å; N13-N69 PolarHBondContact ND2-O 3Å; G62-N69 PolarHBondContact O-ND2 3.02Å; R63-N69 CarbonylContact O-C 3.23Å; R63-N69 VanDerWaalsContact O-CA 3.31Å; R63-N69 WeakPolarHBondContact O-CA 3.4Å |
| 70 | L | 91.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -67.4 | 140.4 | 174.6 | -61.8 | -168 | 0 | 0 | 0 | 110.3 | V11 L14 G62 R63 F65 R68 V72 | V11-L70 HydrophobicContact CG1-CD1 4.28Å; L14-L70 HydrophobicContact CD2-CD1 4.48Å; L14-L70 HydrophobicContact CD2-CD2 3.47Å; L14-L70 VanDerWaalsContact CD2-CD2 3.47Å; L14-L70 HydrophobicContact CG-CD2 4.04Å; G62-L70 WeakPolarHBondContact CA-O 3.44Å; G62-L70 PolarHBondContact N-O 3.34Å; R63-L70 HydrophobicContact CG-CB 4.24Å; R63-L70 HydrophobicContact CG-CD1 4.02Å; R63-L70 HydrophobicContact CG-CG 4.09Å; R63-L70 PolarHBondContact O-N 2.68Å; F65-L70 HydrophobicContact CB-CD1 3.98Å; F65-L70 HydrophobicContact CB-CD2 3.82Å; F65-L70 HydrophobicContact CB-CG 3.72Å; F65-L70 HydrophobicContact CD1-CD2 4.33Å; F65-L70 HydrophobicContact CG-CD1 4.44Å; F65-L70 HydrophobicContact CG-CD2 4.45Å; R68-L70 PolarHBondContact O-N 3.27Å; L70-V72 HydrophobicContact CB-CG2 4.45Å | ||
| 71 | V | 90.6 | Very high | 80.2 | Confident | 64 Ų | 64 | 79.9 Ų | 79.9 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 107 | 172.2 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | V11 G12 N13 N61 | V11-V71 CarbonylContact C-O 3.56Å; V11-V71 WeakPolarHBondContact CA-O 3.48Å; G12-V71 PolarHBondContact N-O 3.42Å; G12-V71 PolarHBondContact O-N 2.87Å; N13-V71 HydrophobicContact CB-CG2 4.21Å; N61-V71 WeakPolarHBondContact OD1-CA 3.36Å |
| 72 | V | 91.3 | Very high | 79.4 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.012 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.3 | 179.1 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | L9 F10 V11 F27 I57 L60 N61 L70 | L9-V72 HydrophobicContact CD1-CG1 4.06Å; F10-V72 WeakPolarHBondContact O-CA 3.19Å; V11-V72 HydrophobicContact CG1-CG2 4.26Å; V11-V72 HydrophobicContact CG2-CG2 4.48Å; F27-V72 HydrophobicContact CE1-CG1 4.12Å; F27-V72 HydrophobicContact CZ-CG1 4.18Å; F27-V72 HydrophobicContact CZ-CG2 4.05Å; I57-V72 HydrophobicContact CG1-CG1 3.98Å; L60-V72 HydrophobicContact CB-CG2 3.78Å; N61-V72 HydrophobicContact CB-CB 4.18Å; N61-V72 PolarHBondContact OD1-N 3Å; L70-V72 HydrophobicContact CB-CG2 4.45Å |
| 73 | E | 88.5 | Confident | 79.3 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 40% | 0.397 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.3 | 177.7 | -164.2 | 178.6 | 166 | 0 | 0 | 108.9 | F10 S75 R76 | F10-E73 PolarHBondContact N-O 3.19Å; F10-E73 PolarHBondContact O-N 3.12Å; E73-S75 PolarHBondContact O-N 3.39Å; E73-R76 IonicContact OE1-CZ 2.98Å; E73-R76 IonicContact OE1-NH1 2.61Å; E73-R76 PolarHBondContact OE1-NH1 2.93Å |
| 74 | E | 87.5 | Confident | 79.3 | Confident | 114 Ų | 114 | 76.3 Ų | 76.3 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 129.8 | 166.1 | -164.7 | -175.4 | 173.9 | 0 | 0 | 108.7 | V7 I57 R76 | V7-E74 HydrophobicContact CG1-CG 4.1Å; I57-E74 HydrophobicContact CD1-CB 4.07Å; E74-R76 VanDerWaalsContact C-N 3.3Å; E74-R76 PolarHBondContact O-N 3.03Å |
| 75 | S | 76.8 | Confident | 79.4 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | trans | -70 | 94.5 | -179.2 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | K8 E73 G77 | K8-S75 WeakPolarHBondContact CD-OG 3.1Å; K8-S75 WeakPolarHBondContact CE-OG 3.49Å; K8-S75 VanDerWaalsContact CG-CB 3.49Å; K8-S75 WeakPolarHBondContact O-CA 3.33Å; K8-S75 WeakPolarHBondContact O-CB 3.4Å; K8-S75 PolarHBondContact O-N 3.45Å; E73-S75 PolarHBondContact O-N 3.39Å; S75-G77 PolarHBondContact O-N 3.27Å | ||
| 76 | R | 68.8 | Low | 79.8 | Confident | 184 Ų | 184 | 71.1 Ų | 71.1 | 69% | 0.694 | 36% | 0.358 | S | S | * | . | trans | -58.2 | 108.3 | 153.2 | -64.8 | -178.7 | 177.1 | 140.3 | -6.2 | 105.6 | E73 E74 R78 | E73-R76 IonicContact OE1-CZ 2.98Å; E73-R76 IonicContact OE1-NH1 2.61Å; E73-R76 PolarHBondContact OE1-NH1 2.93Å; E74-R76 VanDerWaalsContact C-N 3.3Å; E74-R76 PolarHBondContact O-N 3.03Å; R76-R78 PolarHBondContact O-N 3.47Å | ||
| 77 | G | 58.7 | Low | 80.2 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 135.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | S75 P79 | S75-G77 PolarHBondContact O-N 3.27Å; G77-P79 WeakPolarHBondContact O-CD 3.49Å |
| 78 | R | 59.7 | Low | 80.4 | Confident | 137 Ų | 137 | 63.1 Ų | 63.1 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 117.9 | 165.9 | -152.4 | -171.1 | -70.8 | -113.7 | 4.3 | 103.9 | R76 L80 L110 E111 | R76-R78 PolarHBondContact O-N 3.47Å; R78-L80 PolarHBondContact O-N 3.01Å; R78-L110 HydrophobicContact CG-CD1 4.37Å; R78-E111 IonicContact CZ-OE2 3.36Å; R78-E111 IonicContact NH1-OE2 3.7Å; R78-E111 PolarHBondContact NH1-OE2 3.19Å; R78-E111 IonicContact NH2-OE2 3.9Å |
| 79 | P | 55.7 | Low | 80.5 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 128.7 | -175.4 | 16.3 | -27.8 | 0 | 0 | 0 | 106.3 | G77 H81 S82 L110 E124 | G77-P79 WeakPolarHBondContact O-CD 3.49Å; P79-H81 VanDerWaalsContact CB-CE1 3.48Å; P79-H81 WeakPolarHBondContact CB-CE1 3.36Å; P79-H81 PolarHBondContact O-N 3.12Å; P79-S82 PolarHBondContact O-N 3.32Å; P79-L110 HydrophobicContact CG-CD1 4.01Å; P79-E124 HydrophobicContact CG-CG 4.04Å |
| 80 | L | 55.6 | Low | 80.5 | Confident | 187 Ų | 187 | 58.1 Ų | 58.1 | 98% | 0.979 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -15.6 | -177.2 | -102.1 | 73.3 | 0 | 0 | 0 | 111.7 | R78 | R78-L80 PolarHBondContact O-N 3.01Š|
| 81 | H | 62.3 | Low | 80.3 | Confident | 111 Ų | 111 | 58.8 Ų | 58.8 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 18.7 | 177.1 | 59.7 | 74.5 | 0 | 0 | 0 | 115.2 | P79 T83 E124 | P79-H81 VanDerWaalsContact CB-CE1 3.48Å; P79-H81 WeakPolarHBondContact CB-CE1 3.36Å; P79-H81 PolarHBondContact O-N 3.12Å; H81-T83 PolarHBondContact O-N 3.46Å; H81-T83 VanDerWaalsContact O-N 3.12Å; H81-T83 PolarHBondContact O-OG1 2.74Å; H81-E124 PolarHBondContact CE1-O 3.17Å; H81-E124 PolarHBondContact ND1-O 2.92Å |
| 82 | S | 76.1 | Confident | 80 | Confident | 32 Ų | 32 | 59 Ų | 59 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 121.3 | 176.2 | 68.6 | 0 | 0 | 0 | 0 | 110.1 | P79 M123 | P79-S82 PolarHBondContact O-N 3.32Å; S82-M123 CarbonylContact C-O 3.54Å; S82-M123 WeakPolarHBondContact CA-O 3.39Å; S82-M123 WeakPolarHBondContact CB-O 3.45Å |
| 83 | T | 86.4 | Confident | 79.7 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.9 | -175.7 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | H81 M123 K126 A129 L150 | H81-T83 PolarHBondContact O-N 3.46Å; H81-T83 VanDerWaalsContact O-N 3.12Å; H81-T83 PolarHBondContact O-OG1 2.74Å; T83-M123 PolarHBondContact N-O 3.18Å; T83-M123 PolarHBondContact O-N 3.04Å; T83-K126 HydrophobicContact CG2-CG 4.43Å; T83-K126 WeakPolarHBondContact OG1-CA 3.47Å; T83-K126 WeakPolarHBondContact OG1-CB 3.46Å; T83-A129 HydrophobicContact CG2-CB 3.71Å; T83-L150 HydrophobicContact CG2-CD2 3.43Å; T83-L150 VanDerWaalsContact CG2-CD2 3.43Å |
| 84 | K | 90.1 | Very high | 79.5 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 27% | 0.27 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.2 | 178.1 | -172 | 177.2 | -177 | 173.1 | 0 | 109.8 | F120 S151 | K84-F120 HydrophobicContact CD-CD1 4.34Å; K84-F120 VanDerWaalsContact CE-CB 3.45Å; K84-F120 HydrophobicContact CG-CB 4.45Å; K84-F120 HydrophobicContact CG-CD1 4.41Å; K84-S151 WeakPolarHBondContact O-CB 3.32Å; K84-S151 PolarHBondContact O-N 3.35Å |
| 85 | V | 92.2 | Very high | 79.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.9 | 178 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | F103 F120 V121 M123 A129 I133 V148 | V85-F103 HydrophobicContact CG1-CE1 4.01Å; V85-F103 HydrophobicContact CG1-CZ 4.42Å; V85-F120 CarbonylContact O-C 3.36Å; V85-F120 VanDerWaalsContact O-CA 3.32Å; V85-F120 WeakPolarHBondContact O-CA 3.4Å; V85-V121 HydrophobicContact CB-CB 4.48Å; V85-V121 PolarHBondContact N-O 3.36Å; V85-V121 PolarHBondContact O-N 2.96Å; V85-M123 HydrophobicContact CG2-CG 4.05Å; V85-A129 HydrophobicContact CG2-CB 3.71Å; V85-I133 HydrophobicContact CG1-CD1 4.3Å; V85-I133 HydrophobicContact CG1-CG1 3.91Å; V85-I133 HydrophobicContact CG2-CD1 4.44Å; V85-V148 HydrophobicContact CG1-CG1 3.3Å |
| 86 | F | 92.9 | Very high | 80.3 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.3 | 172.5 | 171.3 | -101.7 | 0 | 0 | 0 | 109.7 | Y118 F120 V148 E149 | F86-Y118 HydrophobicContact CD2-CD2 4.4Å; F86-Y118 AromaticContact CE2-CD2 3.75Å; F86-Y118 HydrophobicContact CE2-CD2 3.75Å; F86-Y118 AromaticContact CE2-CG 3.87Å; F86-Y118 HydrophobicContact CE2-CG 3.87Å; F86-Y118 HydrophobicContact CZ-CG 4.45Å; F86-F120 HydrophobicContact CB-CD1 4.32Å; F86-F120 HydrophobicContact CB-CE1 4.29Å; F86-F120 HydrophobicContact CD2-CD1 4.06Å; F86-F120 AromaticContact CD2-CE1 3.56Å; F86-F120 HydrophobicContact CD2-CE1 3.56Å; F86-F120 HydrophobicContact CD2-CZ 4.13Å; F86-F120 HydrophobicContact CE2-CE1 4.43Å; F86-F120 HydrophobicContact CG-CE1 4.39Å; F86-V148 CarbonylContact O-C 3.59Å; F86-V148 VanDerWaalsContact O-CA 3.32Å; F86-V148 WeakPolarHBondContact O-CA 3.28Å; F86-E149 HydrophobicContact CD1-CB 4.5Å; F86-E149 PolarHBondContact N-O 2.8Å; F86-E149 PolarHBondContact O-N 2.81Å |
| 87 | V | 92.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 98.4 | 177.9 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | L90 L99 F103 Y118 A119 V121 L146 S147 V148 | V87-L90 HydrophobicContact CB-CD1 4.25Å; V87-L90 HydrophobicContact CG1-CD1 4.01Å; V87-L90 HydrophobicContact CG1-CD2 3.86Å; V87-L90 HydrophobicContact CG1-CG 3.93Å; V87-L90 WeakPolarHBondContact O-CD1 3.34Å; V87-L99 HydrophobicContact CG1-CD2 4.34Å; V87-F103 HydrophobicContact CG2-CE1 4.43Å; V87-F103 HydrophobicContact CG2-CE2 3.71Å; V87-F103 HydrophobicContact CG2-CZ 3.44Å; V87-F103 VanDerWaalsContact CG2-CZ 3.44Å; V87-Y118 CarbonylContact O-C 3.24Å; V87-Y118 WeakPolarHBondContact O-CA 3.43Å; V87-Y118 WeakPolarHBondContact O-CB 3.29Å; V87-A119 HydrophobicContact CB-CB 4.37Å; V87-A119 PolarHBondContact N-O 2.78Å; V87-A119 PolarHBondContact O-N 3.07Å; V87-V121 HydrophobicContact CG2-CG2 3.99Å; V87-L146 HydrophobicContact CG1-CD2 4.49Å; V87-S147 CarbonylContact C-O 3.52Å; V87-S147 WeakPolarHBondContact CA-O 3.49Å; V87-V148 HydrophobicContact CG1-CG2 4.33Å; V87-V148 HydrophobicContact CG2-CG1 4.38Å |
| 88 | G | 91.4 | Very high | 82.9 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 169.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L90 S147 | G88-L90 PolarHBondContact O-N 2.8Å; G88-S147 PolarHBondContact N-O 3.32Å; G88-S147 PolarHBondContact O-N 3.31Å |
| 89 | N | 91.1 | Very high | 84.4 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 56.9 | 32.8 | 179.5 | -162.1 | 34.1 | 0 | 0 | 0 | 114.1 | G117 R144 P145 | N89-G117 PolarHBondContact N-O 3.13Å; N89-R144 VanDerWaalsContact OD1-CZ 3.29Å; N89-R144 PolarHBondContact OD1-NH2 3.41Å; N89-P145 WeakPolarHBondContact CB-O 3.43Å; N89-P145 PolarHBondContact ND2-O 3.27Å |
| 90 | L | 90.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | trans | -67.2 | 139.2 | 177.5 | -76.7 | 168.2 | 0 | 0 | 0 | 111.3 | V87 G88 C94 L99 G117 A119 R144 L146 | V87-L90 HydrophobicContact CB-CD1 4.25Å; V87-L90 HydrophobicContact CG1-CD1 4.01Å; V87-L90 HydrophobicContact CG1-CD2 3.86Å; V87-L90 HydrophobicContact CG1-CG 3.93Å; V87-L90 WeakPolarHBondContact O-CD1 3.34Å; G88-L90 PolarHBondContact O-N 2.8Å; L90-C94 HydrophobicContact CD2-CB 4.21Å; L90-L99 HydrophobicContact CD1-CD1 3.73Å; L90-L99 HydrophobicContact CD1-CD2 4.46Å; L90-L99 HydrophobicContact CD2-CD1 4.24Å; L90-L99 HydrophobicContact CD2-CD2 3.67Å; L90-L99 HydrophobicContact CD2-CG 4.4Å; L90-G117 PolarHBondContact N-O 3.1Å; L90-G117 VanDerWaalsContact N-O 3.13Å; L90-A119 HydrophobicContact CD1-CB 3.38Å; L90-R144 PolarHBondContact O-NH1 3.02Å; L90-L146 HydrophobicContact CD2-CD2 3.43Å; L90-L146 VanDerWaalsContact CD2-CD2 3.43Å; L90-L146 HydrophobicContact CG-CD2 4.3Å | ||
| 91 | S | 88.2 | Confident | 87.8 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | trans | -67.1 | 143.9 | 169.1 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | M93 C94 | S91-M93 PolarHBondContact O-N 3.02Å; S91-M93 VanDerWaalsContact O-N 3.12Å; S91-C94 WeakPolarHBondContact O-CB 3.39Å; S91-C94 PolarHBondContact O-N 2.8Å | ||
| 92 | G | 84.9 | Confident | 89.1 | Confident | 68 Ų | 68 | 49 Ų | 49 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | C94 | G92-C94 VanDerWaalsContact C-N 3.34Š|
| 93 | M | 83.8 | Confident | 89.8 | Confident | 146 Ų | 146 | 47.5 Ų | 47.5 | 72% | 0.719 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -11.5 | 177.7 | -57.6 | -59.5 | -177.3 | 0 | 0 | 113.9 | S91 K142 | S91-M93 PolarHBondContact O-N 3.02Å; S91-M93 VanDerWaalsContact O-N 3.12Å; M93-K142 HydrophobicContact CB-CD 3.87Å; M93-K142 PolarHBondContact O-NZ 2.99Å |
| 94 | C | 85.4 | Confident | 90.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -75.4 | 127 | 178.3 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | L90 S91 G92 K114 F141 | L90-C94 HydrophobicContact CD2-CB 4.21Å; S91-C94 WeakPolarHBondContact O-CB 3.39Å; S91-C94 PolarHBondContact O-N 2.8Å; G92-C94 VanDerWaalsContact C-N 3.34Å; C94-K114 WeakPolarHBondContact O-CD 3.37Å; C94-K114 WeakPolarHBondContact O-CE 3.32Å; C94-K114 PolarHBondContact O-NZ 3.04Å; C94-F141 HydrophobicContact CB-CE1 4.29Å; C94-F141 WeakPolarHBondContact SG-CD1 3.31Å; C94-F141 VanDerWaalsContact SG-CE1 3.59Å | ||
| 95 | T | 90.4 | Very high | 90.3 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | trans | -90 | 164.8 | 172 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | E97 D98 L99 | T95-E97 PolarHBondContact O-N 2.79Å; T95-D98 PolarHBondContact N-OD2 3.07Å; T95-D98 PolarHBondContact O-N 3.31Å; T95-D98 PolarHBondContact OG1-N 2.86Å; T95-D98 PolarHBondContact OG1-OD1 2.96Å; T95-D98 PolarHBondContact OG1-OD2 3.3Å; T95-D98 VanDerWaalsContact OG1-OD2 3.08Å; T95-L99 PolarHBondContact O-N 2.84Å | ||
| 96 | T | 89.5 | Confident | 90.2 | Very high | 51 Ų | 51 | 57 Ų | 57 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -33 | 173.3 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | L99 K100 C112 K114 | T96-L99 PolarHBondContact O-N 2.91Å; T96-K100 PolarHBondContact O-N 2.76Å; T96-C112 HydrophobicContact CG2-CB 3.89Å; T96-C112 VanDerWaalsContact CG2-O 3.26Å; T96-C112 WeakPolarHBondContact CG2-O 3.32Å; T96-C112 WeakPolarHBondContact CG2-SG 3.11Å; T96-K114 WeakPolarHBondContact OG1-CB 3.24Å |
| 97 | E | 90.4 | Very high | 90 | Very high | 146 Ų | 146 | 54.9 Ų | 54.9 | 68% | 0.682 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.9 | -42.8 | 177.4 | -68.4 | 151.9 | -175.8 | 0 | 0 | 112.1 | T95 L99 K100 Q101 | T95-E97 PolarHBondContact O-N 2.79Å; E97-L99 VanDerWaalsContact C-N 3.28Å; E97-L99 PolarHBondContact O-N 2.78Å; E97-K100 WeakPolarHBondContact O-CB 3.48Å; E97-K100 PolarHBondContact O-N 3.28Å; E97-K100 VanDerWaalsContact O-N 3.15Å; E97-Q101 PolarHBondContact O-N 2.92Å |
| 98 | D | 91.4 | Very high | 89.8 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 19% | 0.193 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 175.8 | -63.6 | -35 | 0 | 0 | 0 | 111.4 | T95 Q101 L102 F141 K142 | T95-D98 PolarHBondContact N-OD2 3.07Å; T95-D98 PolarHBondContact O-N 3.31Å; T95-D98 PolarHBondContact OG1-N 2.86Å; T95-D98 PolarHBondContact OG1-OD1 2.96Å; T95-D98 PolarHBondContact OG1-OD2 3.3Å; T95-D98 VanDerWaalsContact OG1-OD2 3.08Å; D98-Q101 PolarHBondContact O-N 3.41Å; D98-L102 WeakPolarHBondContact O-CB 3.39Å; D98-L102 PolarHBondContact O-N 3.23Å; D98-F141 HydrophobicContact CB-CE1 3.95Å; D98-F141 HydrophobicContact CB-CZ 3.87Å; D98-K142 WeakPolarHBondContact OD2-CE 3.36Å; D98-K142 IonicContact OD2-NZ 3.77Å; D98-K142 PolarHBondContact OD2-NZ 2.97Å |
| 99 | L | 90.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.8 | -71.3 | 172.7 | 0 | 0 | 0 | 111.2 | V87 L90 T95 T96 E97 Q101 L102 F103 A119 | V87-L99 HydrophobicContact CG1-CD2 4.34Å; L90-L99 HydrophobicContact CD1-CD1 3.73Å; L90-L99 HydrophobicContact CD1-CD2 4.46Å; L90-L99 HydrophobicContact CD2-CD1 4.24Å; L90-L99 HydrophobicContact CD2-CD2 3.67Å; L90-L99 HydrophobicContact CD2-CG 4.4Å; T95-L99 PolarHBondContact O-N 2.84Å; T96-L99 PolarHBondContact O-N 2.91Å; E97-L99 VanDerWaalsContact C-N 3.28Å; E97-L99 PolarHBondContact O-N 2.78Å; L99-Q101 VanDerWaalsContact C-N 3.32Å; L99-Q101 PolarHBondContact O-N 3.42Å; L99-L102 PolarHBondContact O-N 3.46Å; L99-F103 HydrophobicContact CD2-CE2 4.45Å; L99-F103 VanDerWaalsContact O-CD2 3.29Å; L99-F103 WeakPolarHBondContact O-CD2 3.28Å; L99-F103 PolarHBondContact O-N 2.91Å; L99-A119 HydrophobicContact CD1-CB 3.57Å |
| 100 | K | 91.6 | Very high | 89.5 | Confident | 96 Ų | 96 | 60.1 Ų | 60.1 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 175.7 | -168.6 | 177.4 | 178.8 | 179.8 | 0 | 110.6 | T96 E97 F103 Q104 V109 | T96-K100 PolarHBondContact O-N 2.76Å; E97-K100 WeakPolarHBondContact O-CB 3.48Å; E97-K100 PolarHBondContact O-N 3.28Å; E97-K100 VanDerWaalsContact O-N 3.15Å; K100-F103 PolarHBondContact O-N 2.82Å; K100-Q104 WeakPolarHBondContact O-CB 3.5Å; K100-Q104 PolarHBondContact O-N 2.7Å; K100-V109 HydrophobicContact CG-CB 4.3Å; K100-V109 HydrophobicContact CG-CG1 4.34Å |
| 101 | Q | 91.4 | Very high | 89.3 | Confident | 133 Ų | 133 | 63.6 Ų | 63.6 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 177.4 | -75.6 | -177.8 | -14.5 | 0 | 0 | 112.9 | E97 D98 L99 Q104 | E97-Q101 PolarHBondContact O-N 2.92Å; D98-Q101 PolarHBondContact O-N 3.41Å; L99-Q101 VanDerWaalsContact C-N 3.32Å; L99-Q101 PolarHBondContact O-N 3.42Å; Q101-Q104 PolarHBondContact O-N 3.03Å |
| 102 | L | 90.8 | Very high | 89.2 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.8 | -87.8 | 164.8 | 0 | 0 | 0 | 113 | D98 L99 T105 F106 L136 F141 | D98-L102 WeakPolarHBondContact O-CB 3.39Å; D98-L102 PolarHBondContact O-N 3.23Å; L99-L102 PolarHBondContact O-N 3.46Å; L102-T105 PolarHBondContact O-OG1 3.03Å; L102-F106 WeakPolarHBondContact O-CD2 3.49Å; L102-F106 WeakPolarHBondContact O-CE2 3.43Å; L102-L136 HydrophobicContact CD2-CD2 4.06Å; L102-F141 HydrophobicContact CD1-CD1 3.88Å; L102-F141 HydrophobicContact CD1-CD2 3.71Å; L102-F141 HydrophobicContact CD1-CE1 3.78Å; L102-F141 HydrophobicContact CD1-CE2 3.6Å; L102-F141 HydrophobicContact CD1-CG 3.87Å; L102-F141 HydrophobicContact CD1-CZ 3.65Å; L102-F141 HydrophobicContact CG-CE2 4.31Å |
| 103 | F | 91 | Very high | 89.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -80.2 | -24.4 | -179.6 | -81.9 | -96.1 | 0 | 0 | 0 | 112.3 | V85 V87 L99 K100 T105 F106 G107 V109 V121 M123 A132 L136 V148 | V85-F103 HydrophobicContact CG1-CE1 4.01Å; V85-F103 HydrophobicContact CG1-CZ 4.42Å; V87-F103 HydrophobicContact CG2-CE1 4.43Å; V87-F103 HydrophobicContact CG2-CE2 3.71Å; V87-F103 HydrophobicContact CG2-CZ 3.44Å; V87-F103 VanDerWaalsContact CG2-CZ 3.44Å; L99-F103 HydrophobicContact CD2-CE2 4.45Å; L99-F103 VanDerWaalsContact O-CD2 3.29Å; L99-F103 WeakPolarHBondContact O-CD2 3.28Å; L99-F103 PolarHBondContact O-N 2.91Å; K100-F103 PolarHBondContact O-N 2.82Å; F103-T105 PolarHBondContact O-N 3.46Å; F103-F106 PolarHBondContact O-N 3.24Å; F103-F106 VanDerWaalsContact O-N 3.16Å; F103-G107 PolarHBondContact O-N 3.5Å; F103-V109 HydrophobicContact CB-CG2 3.52Å; F103-V121 HydrophobicContact CB-CG1 4.1Å; F103-V121 HydrophobicContact CD1-CB 4.39Å; F103-V121 HydrophobicContact CD1-CG1 4.04Å; F103-V121 HydrophobicContact CD2-CG2 4.1Å; F103-V121 HydrophobicContact CE2-CG2 4.15Å; F103-V121 HydrophobicContact CG-CB 4.49Å; F103-V121 HydrophobicContact CG-CG1 3.96Å; F103-V121 HydrophobicContact CG-CG2 4.31Å; F103-V121 HydrophobicContact CZ-CG2 4.4Å; F103-M123 HydrophobicContact CB-SD 4.25Å; F103-M123 HydrophobicContact CD1-SD 4.12Å; F103-A132 HydrophobicContact CD1-CB 3.91Å; F103-A132 HydrophobicContact CE1-CB 3.95Å; F103-L136 HydrophobicContact CD1-CD1 4.14Å; F103-L136 HydrophobicContact CD2-CD1 3.94Å; F103-L136 HydrophobicContact CE1-CD1 3.88Å; F103-L136 HydrophobicContact CE2-CD1 3.68Å; F103-L136 HydrophobicContact CG-CD1 4.17Å; F103-L136 HydrophobicContact CZ-CD1 3.64Å; F103-V148 HydrophobicContact CE1-CG1 4.1Å; F103-V148 HydrophobicContact CZ-CG1 3.82Å; F103-V148 HydrophobicContact CZ-CG2 4.32Å |
| 104 | Q | 93 | Very high | 89.6 | Confident | 120 Ų | 120 | 61 Ų | 61 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.1 | -18.4 | 177.9 | -173.1 | 165.2 | 12.8 | 0 | 0 | 113.6 | K100 Q101 F106 G107 | K100-Q104 WeakPolarHBondContact O-CB 3.5Å; K100-Q104 PolarHBondContact O-N 2.7Å; Q101-Q104 PolarHBondContact O-N 3.03Å; Q104-F106 VanDerWaalsContact C-N 3.28Å; Q104-F106 PolarHBondContact O-N 3.31Å; Q104-G107 WeakPolarHBondContact CA-O 3.43Å |
| 105 | T | 92.1 | Very high | 89.7 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 66% | 0.656 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.8 | 173.5 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | L102 F103 | L102-T105 PolarHBondContact O-OG1 3.03Å; F103-T105 PolarHBondContact O-N 3.46Å |
| 106 | F | 91.3 | Very high | 89.5 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 24% | 0.237 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -35.2 | -178.4 | -59 | -79.4 | 0 | 0 | 0 | 112.3 | L102 F103 Q104 A132 A135 L136 | L102-F106 WeakPolarHBondContact O-CD2 3.49Å; L102-F106 WeakPolarHBondContact O-CE2 3.43Å; F103-F106 PolarHBondContact O-N 3.24Å; F103-F106 VanDerWaalsContact O-N 3.16Å; Q104-F106 VanDerWaalsContact C-N 3.28Å; Q104-F106 PolarHBondContact O-N 3.31Å; F106-A132 HydrophobicContact CB-CB 3.85Å; F106-A132 HydrophobicContact CD1-CB 4.5Å; F106-A132 HydrophobicContact CD2-CB 3.81Å; F106-A132 HydrophobicContact CG-CB 3.78Å; F106-A135 HydrophobicContact CD1-CB 4.38Å; F106-A135 HydrophobicContact CE1-CB 3.33Å; F106-A135 HydrophobicContact CZ-CB 3.43Å; F106-A135 VanDerWaalsContact CZ-CB 3.43Å; F106-L136 HydrophobicContact CD2-CD1 4.11Å; F106-L136 HydrophobicContact CD2-CG 4.44Å; F106-L136 HydrophobicContact CE2-CD1 3.67Å; F106-L136 HydrophobicContact CE2-CD2 3.84Å; F106-L136 HydrophobicContact CE2-CG 3.6Å; F106-L136 HydrophobicContact CZ-CD2 4.21Å; F106-L136 HydrophobicContact CZ-CG 4.05Å |
| 107 | G | 88.6 | Confident | 89.2 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -172.7 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F103 Q104 V109 | F103-G107 PolarHBondContact O-N 3.5Å; Q104-G107 WeakPolarHBondContact CA-O 3.43Å; G107-V109 PolarHBondContact O-N 3.01Å |
| 108 | K | 89.3 | Confident | 89.2 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | trans | -74.1 | 118.7 | -178.3 | -165.1 | -169.1 | -175.8 | -176 | 0 | 110.8 | E124 | K108-E124 HydrophobicContact CB-CB 4.23Å; K108-E124 WeakPolarHBondContact CB-OE2 2.93Å; K108-E124 WeakPolarHBondContact CD-OE2 3.46Å; K108-E124 IonicContact NZ-OE1 3.5Å; K108-E124 PolarHBondContact NZ-OE1 3.33Å; K108-E124 VanDerWaalsContact NZ-OE1 3.1Å; K108-E124 IonicContact NZ-OE2 3.09Å; K108-E124 PolarHBondContact O-N 3.33Å; K108-E124 VanDerWaalsContact O-N 3.1Å | ||
| 109 | V | 90 | Very high | 89.3 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 9% | 0.085 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 119.4 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | K100 F103 G107 C112 V121 M123 | K100-V109 HydrophobicContact CG-CB 4.3Å; K100-V109 HydrophobicContact CG-CG1 4.34Å; F103-V109 HydrophobicContact CB-CG2 3.52Å; G107-V109 PolarHBondContact O-N 3.01Å; V109-C112 HydrophobicContact CG1-CB 4.46Å; V109-V121 HydrophobicContact CG1-CG1 3.63Å; V109-V121 HydrophobicContact CG2-CG1 4.19Å; V109-M123 HydrophobicContact CG2-CE 4.47Å; V109-M123 HydrophobicContact CG2-SD 3.83Å |
| 110 | L | 86 | Confident | 89.3 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 33% | 0.33 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -50.5 | 177.1 | -62.9 | 173.6 | 0 | 0 | 0 | 111.4 | R78 P79 H122 E124 | R78-L110 HydrophobicContact CG-CD1 4.37Å; P79-L110 HydrophobicContact CG-CD1 4.01Å; L110-H122 HydrophobicContact CB-CB 4.27Å; L110-H122 WeakPolarHBondContact CB-O 3.03Å; L110-H122 PolarHBondContact N-O 3.12Å; L110-E124 HydrophobicContact CD2-CB 4.41Å; L110-E124 HydrophobicContact CG-CB 4.36Å |
| 111 | E | 84.4 | Confident | 89.3 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 143.7 | -173.2 | -172.3 | 167.2 | -153.8 | 0 | 0 | 109.9 | R78 H122 | R78-E111 IonicContact CZ-OE2 3.36Å; R78-E111 IonicContact NH1-OE2 3.7Å; R78-E111 PolarHBondContact NH1-OE2 3.19Å; R78-E111 IonicContact NH2-OE2 3.9Å; E111-H122 HydrophobicContact CB-CB 4.29Å; E111-H122 PolarHBondContact O-N 2.77Å |
| 112 | C | 87.6 | Confident | 89.3 | Confident | 27 Ų | 27 | 58 Ų | 58 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 115.8 | 179.5 | 44.1 | 0 | 0 | 0 | 0 | 110 | T96 V109 F120 | T96-C112 HydrophobicContact CG2-CB 3.89Å; T96-C112 VanDerWaalsContact CG2-O 3.26Å; T96-C112 WeakPolarHBondContact CG2-O 3.32Å; T96-C112 WeakPolarHBondContact CG2-SG 3.11Å; V109-C112 HydrophobicContact CG1-CB 4.46Å; C112-F120 CarbonylContact C-O 3.51Å; C112-F120 WeakPolarHBondContact CA-O 3.34Å |
| 113 | D | 88.4 | Confident | 89.3 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 102.6 | -178.8 | -71.4 | -36.4 | 0 | 0 | 0 | 109.3 | A119 F120 | D113-A119 CarbonylContact O-C 3.48Å; D113-A119 WeakPolarHBondContact O-CA 3.3Å; D113-A119 WeakPolarHBondContact O-CB 3.39Å; D113-F120 HydrophobicContact CB-CB 4.42Å; D113-F120 PolarHBondContact N-O 3.37Å; D113-F120 PolarHBondContact O-N 2.89Å |
| 114 | K | 89 | Confident | 89.1 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.6 | 172.9 | -179.1 | -177.2 | 170.2 | -146.2 | 0 | 110.3 | C94 T96 A119 | C94-K114 WeakPolarHBondContact O-CD 3.37Å; C94-K114 WeakPolarHBondContact O-CE 3.32Å; C94-K114 PolarHBondContact O-NZ 3.04Å; T96-K114 WeakPolarHBondContact OG1-CB 3.24Å; K114-A119 HydrophobicContact CB-CB 4.35Å |
| 115 | V | 87 | Confident | 88.9 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 167.4 | 169.1 | -171 | 0 | 0 | 0 | 0 | 108.8 | G117 Y118 | V115-G117 PolarHBondContact O-N 2.89Å; V115-Y118 CarbonylContact C-O 3.51Å; V115-Y118 VanDerWaalsContact C-O 3.23Å; V115-Y118 WeakPolarHBondContact CA-O 3.48Å; V115-Y118 HydrophobicContact CB-CD2 4.06Å; V115-Y118 HydrophobicContact CB-CE1 4.1Å; V115-Y118 HydrophobicContact CB-CE2 3.59Å; V115-Y118 HydrophobicContact CG1-CE1 3.85Å; V115-Y118 HydrophobicContact CG1-CE2 3.98Å; V115-Y118 VanDerWaalsContact CG1-CZ 3.46Å; V115-Y118 WeakPolarHBondContact CG1-OH 3.32Å; V115-Y118 HydrophobicContact CG2-CE2 3.9Å; V115-Y118 PolarHBondContact N-O 2.98Å; V115-Y118 PolarHBondContact O-N 3.4Å |
| 116 | K | 85.9 | Confident | 88.6 | Confident | 203 Ų | 203 | 55.5 Ų | 55.5 | 88% | 0.883 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 104.3 | -176.7 | -168.2 | 176.1 | -179.7 | -179.9 | 0 | 110.9 | ||
| 117 | G | 83.3 | Confident | 88.6 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -5.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N89 L90 V115 | N89-G117 PolarHBondContact N-O 3.13Å; L90-G117 PolarHBondContact N-O 3.1Å; L90-G117 VanDerWaalsContact N-O 3.13Å; V115-G117 PolarHBondContact O-N 2.89Å |
| 118 | Y | 90.8 | Very high | 88.7 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 35% | 0.349 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 161.4 | 177.1 | 62.3 | -86.6 | 0 | 0 | 0 | 111.2 | F86 V87 V115 F120 | F86-Y118 HydrophobicContact CD2-CD2 4.4Å; F86-Y118 AromaticContact CE2-CD2 3.75Å; F86-Y118 HydrophobicContact CE2-CD2 3.75Å; F86-Y118 AromaticContact CE2-CG 3.87Å; F86-Y118 HydrophobicContact CE2-CG 3.87Å; F86-Y118 HydrophobicContact CZ-CG 4.45Å; V87-Y118 CarbonylContact O-C 3.24Å; V87-Y118 WeakPolarHBondContact O-CA 3.43Å; V87-Y118 WeakPolarHBondContact O-CB 3.29Å; V115-Y118 CarbonylContact C-O 3.51Å; V115-Y118 VanDerWaalsContact C-O 3.23Å; V115-Y118 WeakPolarHBondContact CA-O 3.48Å; V115-Y118 HydrophobicContact CB-CD2 4.06Å; V115-Y118 HydrophobicContact CB-CE1 4.1Å; V115-Y118 HydrophobicContact CB-CE2 3.59Å; V115-Y118 HydrophobicContact CG1-CE1 3.85Å; V115-Y118 HydrophobicContact CG1-CE2 3.98Å; V115-Y118 VanDerWaalsContact CG1-CZ 3.46Å; V115-Y118 WeakPolarHBondContact CG1-OH 3.32Å; V115-Y118 HydrophobicContact CG2-CE2 3.9Å; V115-Y118 PolarHBondContact N-O 2.98Å; V115-Y118 PolarHBondContact O-N 3.4Å; Y118-F120 HydrophobicContact CD2-CE2 4Å; Y118-F120 HydrophobicContact CD2-CZ 4.22Å; Y118-F120 HydrophobicContact CE2-CD2 4.41Å; Y118-F120 AromaticContact CE2-CE2 3.6Å; Y118-F120 HydrophobicContact CE2-CE2 3.6Å; Y118-F120 AromaticContact CE2-CZ 3.98Å; Y118-F120 HydrophobicContact CE2-CZ 3.98Å |
| 119 | A | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 159.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V87 L90 L99 D113 K114 | V87-A119 HydrophobicContact CB-CB 4.37Å; V87-A119 PolarHBondContact N-O 2.78Å; V87-A119 PolarHBondContact O-N 3.07Å; L90-A119 HydrophobicContact CD1-CB 3.38Å; L99-A119 HydrophobicContact CD1-CB 3.57Å; D113-A119 CarbonylContact O-C 3.48Å; D113-A119 WeakPolarHBondContact O-CA 3.3Å; D113-A119 WeakPolarHBondContact O-CB 3.39Å; K114-A119 HydrophobicContact CB-CB 4.35Å |
| 120 | F | 92.1 | Very high | 88.9 | Confident | 44 Ų | 44 | 57.1 Ų | 57.1 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.2 | 169.9 | -62.1 | -73.7 | 0 | 0 | 0 | 109.7 | K84 V85 F86 C112 D113 Y118 | K84-F120 HydrophobicContact CD-CD1 4.34Å; K84-F120 VanDerWaalsContact CE-CB 3.45Å; K84-F120 HydrophobicContact CG-CB 4.45Å; K84-F120 HydrophobicContact CG-CD1 4.41Å; V85-F120 CarbonylContact O-C 3.36Å; V85-F120 VanDerWaalsContact O-CA 3.32Å; V85-F120 WeakPolarHBondContact O-CA 3.4Å; F86-F120 HydrophobicContact CB-CD1 4.32Å; F86-F120 HydrophobicContact CB-CE1 4.29Å; F86-F120 HydrophobicContact CD2-CD1 4.06Å; F86-F120 AromaticContact CD2-CE1 3.56Å; F86-F120 HydrophobicContact CD2-CE1 3.56Å; F86-F120 HydrophobicContact CD2-CZ 4.13Å; F86-F120 HydrophobicContact CE2-CE1 4.43Å; F86-F120 HydrophobicContact CG-CE1 4.39Å; C112-F120 CarbonylContact C-O 3.51Å; C112-F120 WeakPolarHBondContact CA-O 3.34Å; D113-F120 HydrophobicContact CB-CB 4.42Å; D113-F120 PolarHBondContact N-O 3.37Å; D113-F120 PolarHBondContact O-N 2.89Å; Y118-F120 HydrophobicContact CD2-CE2 4Å; Y118-F120 HydrophobicContact CD2-CZ 4.22Å; Y118-F120 HydrophobicContact CE2-CD2 4.41Å; Y118-F120 AromaticContact CE2-CE2 3.6Å; Y118-F120 HydrophobicContact CE2-CE2 3.6Å; Y118-F120 AromaticContact CE2-CZ 3.98Å; Y118-F120 HydrophobicContact CE2-CZ 3.98Å |
| 121 | V | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126 | 178.5 | -175 | 0 | 0 | 0 | 0 | 108 | V85 V87 F103 V109 M123 | V85-V121 HydrophobicContact CB-CB 4.48Å; V85-V121 PolarHBondContact N-O 3.36Å; V85-V121 PolarHBondContact O-N 2.96Å; V87-V121 HydrophobicContact CG2-CG2 3.99Å; F103-V121 HydrophobicContact CB-CG1 4.1Å; F103-V121 HydrophobicContact CD1-CB 4.39Å; F103-V121 HydrophobicContact CD1-CG1 4.04Å; F103-V121 HydrophobicContact CD2-CG2 4.1Å; F103-V121 HydrophobicContact CE2-CG2 4.15Å; F103-V121 HydrophobicContact CG-CB 4.49Å; F103-V121 HydrophobicContact CG-CG1 3.96Å; F103-V121 HydrophobicContact CG-CG2 4.31Å; F103-V121 HydrophobicContact CZ-CG2 4.4Å; V109-V121 HydrophobicContact CG1-CG1 3.63Å; V109-V121 HydrophobicContact CG2-CG1 4.19Å; V121-M123 HydrophobicContact CG1-SD 3.86Å |
| 122 | H | 90.1 | Very high | 89.7 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 12% | 0.116 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 115.1 | 174.6 | -65.6 | 84.6 | 0 | 0 | 0 | 108.8 | L110 E111 | L110-H122 HydrophobicContact CB-CB 4.27Å; L110-H122 WeakPolarHBondContact CB-O 3.03Å; L110-H122 PolarHBondContact N-O 3.12Å; E111-H122 HydrophobicContact CB-CB 4.29Å; E111-H122 PolarHBondContact O-N 2.77Å |
| 123 | M | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 147.8 | 176.6 | -59.3 | -61.2 | -72.5 | 0 | 0 | 110.1 | S82 T83 V85 F103 V109 V121 D128 A129 | S82-M123 CarbonylContact C-O 3.54Å; S82-M123 WeakPolarHBondContact CA-O 3.39Å; S82-M123 WeakPolarHBondContact CB-O 3.45Å; T83-M123 PolarHBondContact N-O 3.18Å; T83-M123 PolarHBondContact O-N 3.04Å; V85-M123 HydrophobicContact CG2-CG 4.05Å; F103-M123 HydrophobicContact CB-SD 4.25Å; F103-M123 HydrophobicContact CD1-SD 4.12Å; V109-M123 HydrophobicContact CG2-CE 4.47Å; V109-M123 HydrophobicContact CG2-SD 3.83Å; V121-M123 HydrophobicContact CG1-SD 3.86Å; M123-D128 HydrophobicContact CE-CB 4.2Å; M123-A129 HydrophobicContact CB-CB 3.99Å; M123-A129 HydrophobicContact CG-CB 3.9Å |
| 124 | E | 87.4 | Confident | 90.1 | Very high | 52 Ų | 52 | 60 Ų | 60 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -65.1 | -45.3 | 174.8 | -167.4 | 170.4 | -131.3 | 0 | 0 | 111.5 | P79 H81 K108 L110 | P79-E124 HydrophobicContact CG-CG 4.04Å; H81-E124 PolarHBondContact CE1-O 3.17Å; H81-E124 PolarHBondContact ND1-O 2.92Å; K108-E124 HydrophobicContact CB-CB 4.23Å; K108-E124 WeakPolarHBondContact CB-OE2 2.93Å; K108-E124 WeakPolarHBondContact CD-OE2 3.46Å; K108-E124 IonicContact NZ-OE1 3.5Å; K108-E124 PolarHBondContact NZ-OE1 3.33Å; K108-E124 VanDerWaalsContact NZ-OE1 3.1Å; K108-E124 IonicContact NZ-OE2 3.09Å; K108-E124 PolarHBondContact O-N 3.33Å; K108-E124 VanDerWaalsContact O-N 3.1Å; L110-E124 HydrophobicContact CD2-CB 4.41Å; L110-E124 HydrophobicContact CG-CB 4.36Å |
| 125 | N | 88.1 | Confident | 90.3 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | trans | -110.7 | 151.4 | -177.5 | -55.5 | -42.5 | 0 | 0 | 0 | 112 | D128 A129 | N125-D128 HydrophobicContact CB-CB 4.22Å; N125-D128 WeakPolarHBondContact CB-OD2 3.4Å; N125-D128 PolarHBondContact ND2-OD2 3.45Å; N125-A129 PolarHBondContact O-N 2.88Å | ||
| 126 | K | 87.5 | Confident | 90.6 | Very high | 111 Ų | 111 | 56.1 Ų | 56.1 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -78.2 | -35.8 | 177.2 | -177.6 | -178.9 | 174.1 | -170.8 | 0 | 111.2 | T83 A129 L130 | T83-K126 HydrophobicContact CG2-CG 4.43Å; T83-K126 WeakPolarHBondContact OG1-CA 3.47Å; T83-K126 WeakPolarHBondContact OG1-CB 3.46Å; K126-A129 WeakPolarHBondContact O-CB 3.38Å; K126-A129 PolarHBondContact O-N 2.85Å; K126-L130 HydrophobicContact CG-CD1 4.46Å; K126-L130 WeakPolarHBondContact O-CG 3.34Å; K126-L130 PolarHBondContact O-N 2.93Å |
| 127 | E | 90 | Very high | 90.9 | Very high | 118 Ų | 118 | 51.3 Ų | 51.3 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.6 | -49.6 | -179.5 | -61 | 69.4 | -151.3 | 0 | 0 | 109.7 | A129 L130 Q131 | E127-A129 VanDerWaalsContact C-N 3.26Å; E127-A129 PolarHBondContact O-N 3.48Å; E127-L130 PolarHBondContact O-N 3.31Å; E127-Q131 WeakPolarHBondContact O-CG 3.48Å; E127-Q131 PolarHBondContact O-N 3.18Å |
| 128 | D | 91.4 | Very high | 91.2 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -36.6 | 176 | -56.9 | -7.1 | 0 | 0 | 0 | 111.6 | M123 N125 Q131 A132 | M123-D128 HydrophobicContact CE-CB 4.2Å; N125-D128 HydrophobicContact CB-CB 4.22Å; N125-D128 WeakPolarHBondContact CB-OD2 3.4Å; N125-D128 PolarHBondContact ND2-OD2 3.45Å; D128-Q131 PolarHBondContact O-N 3.28Å; D128-A132 VanDerWaalsContact O-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.42Å; D128-A132 PolarHBondContact O-N 3.49Å |
| 129 | A | 91 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | T83 V85 M123 N125 K126 E127 A132 I133 | T83-A129 HydrophobicContact CG2-CB 3.71Å; V85-A129 HydrophobicContact CG2-CB 3.71Å; M123-A129 HydrophobicContact CB-CB 3.99Å; M123-A129 HydrophobicContact CG-CB 3.9Å; N125-A129 PolarHBondContact O-N 2.88Å; K126-A129 WeakPolarHBondContact O-CB 3.38Å; K126-A129 PolarHBondContact O-N 2.85Å; E127-A129 VanDerWaalsContact C-N 3.26Å; E127-A129 PolarHBondContact O-N 3.48Å; A129-A132 PolarHBondContact O-N 3.37Å; A129-I133 VanDerWaalsContact O-CD1 3.31Å; A129-I133 WeakPolarHBondContact O-CD1 3.48Å; A129-I133 WeakPolarHBondContact O-CG1 3.49Å; A129-I133 PolarHBondContact O-N 2.95Å |
| 130 | L | 91.9 | Very high | 91 | Very high | 67 Ų | 67 | 55 Ų | 55 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176.2 | -71.4 | 171.4 | 0 | 0 | 0 | 111.4 | K126 E127 A132 I133 E134 L150 | K126-L130 HydrophobicContact CG-CD1 4.46Å; K126-L130 WeakPolarHBondContact O-CG 3.34Å; K126-L130 PolarHBondContact O-N 2.93Å; E127-L130 PolarHBondContact O-N 3.31Å; L130-A132 VanDerWaalsContact C-N 3.34Å; L130-A132 PolarHBondContact O-N 2.81Å; L130-I133 WeakPolarHBondContact O-CB 3.37Å; L130-I133 PolarHBondContact O-N 2.73Å; L130-E134 PolarHBondContact O-N 2.72Å; L130-L150 HydrophobicContact CD2-CD1 3.83Å; L130-L150 HydrophobicContact CD2-CD2 4.49Å; L130-L150 HydrophobicContact CD2-CG 4.34Å |
| 131 | Q | 93.4 | Very high | 90.8 | Very high | 111 Ų | 111 | 55 Ų | 55 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.9 | -69.1 | -178.7 | 15.3 | 0 | 0 | 111.9 | E127 D128 I133 E134 A135 | E127-Q131 WeakPolarHBondContact O-CG 3.48Å; E127-Q131 PolarHBondContact O-N 3.18Å; D128-Q131 PolarHBondContact O-N 3.28Å; Q131-I133 VanDerWaalsContact C-N 3.31Å; Q131-I133 PolarHBondContact O-N 3.02Å; Q131-E134 PolarHBondContact O-N 3.23Å; Q131-A135 VanDerWaalsContact O-CB 3.32Å; Q131-A135 WeakPolarHBondContact O-CB 3.43Å; Q131-A135 PolarHBondContact O-N 3.42Å |
| 132 | A | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F103 F106 D128 A129 L130 L136 | F103-A132 HydrophobicContact CD1-CB 3.91Å; F103-A132 HydrophobicContact CE1-CB 3.95Å; F106-A132 HydrophobicContact CB-CB 3.85Å; F106-A132 HydrophobicContact CD1-CB 4.5Å; F106-A132 HydrophobicContact CD2-CB 3.81Å; F106-A132 HydrophobicContact CG-CB 3.78Å; D128-A132 VanDerWaalsContact O-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.42Å; D128-A132 PolarHBondContact O-N 3.49Å; A129-A132 PolarHBondContact O-N 3.37Å; L130-A132 VanDerWaalsContact C-N 3.34Å; L130-A132 PolarHBondContact O-N 2.81Å; A132-L136 HydrophobicContact CB-CD1 4.44Å; A132-L136 WeakPolarHBondContact O-CB 3.15Å; A132-L136 WeakPolarHBondContact O-CG 3.24Å; A132-L136 PolarHBondContact O-N 3.49Å |
| 133 | I | 92.9 | Very high | 90.2 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -51.8 | 176 | -71.4 | 158.4 | 0 | 0 | 0 | 110.3 | V85 A129 L130 Q131 A135 H137 V148 L150 | V85-I133 HydrophobicContact CG1-CD1 4.3Å; V85-I133 HydrophobicContact CG1-CG1 3.91Å; V85-I133 HydrophobicContact CG2-CD1 4.44Å; A129-I133 VanDerWaalsContact O-CD1 3.31Å; A129-I133 WeakPolarHBondContact O-CD1 3.48Å; A129-I133 WeakPolarHBondContact O-CG1 3.49Å; A129-I133 PolarHBondContact O-N 2.95Å; L130-I133 WeakPolarHBondContact O-CB 3.37Å; L130-I133 PolarHBondContact O-N 2.73Å; Q131-I133 VanDerWaalsContact C-N 3.31Å; Q131-I133 PolarHBondContact O-N 3.02Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-A135 PolarHBondContact O-N 2.74Å; I133-H137 WeakPolarHBondContact O-CB 3.39Å; I133-H137 PolarHBondContact O-N 2.88Å; I133-V148 HydrophobicContact CB-CG1 4.34Å; I133-V148 HydrophobicContact CG1-CG1 3.71Å; I133-L150 HydrophobicContact CD1-CB 4.36Å; I133-L150 HydrophobicContact CD1-CD2 3.66Å; I133-L150 HydrophobicContact CD1-CG 3.55Å |
| 134 | E | 93 | Very high | 90.1 | Very high | 160 Ų | 160 | 67.4 Ų | 67.4 | 75% | 0.748 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.1 | -39 | -178.2 | -70.6 | 177.1 | -173.4 | 0 | 0 | 112.6 | L130 Q131 | L130-E134 PolarHBondContact O-N 2.72Å; Q131-E134 PolarHBondContact O-N 3.23Å |
| 135 | A | 92.2 | Very high | 90.3 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -80.8 | -35.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F106 Q131 I133 T139 | F106-A135 HydrophobicContact CD1-CB 4.38Å; F106-A135 HydrophobicContact CE1-CB 3.33Å; F106-A135 HydrophobicContact CZ-CB 3.43Å; F106-A135 VanDerWaalsContact CZ-CB 3.43Å; Q131-A135 VanDerWaalsContact O-CB 3.32Å; Q131-A135 WeakPolarHBondContact O-CB 3.43Å; Q131-A135 PolarHBondContact O-N 3.42Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-A135 PolarHBondContact O-N 2.74Å; A135-T139 WeakPolarHBondContact O-CG2 3.5Å |
| 136 | L | 92.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -96 | -21.1 | -175.3 | -63.4 | 173.9 | 0 | 0 | 0 | 113.3 | L102 F103 F106 A132 G138 T139 V148 | L102-L136 HydrophobicContact CD2-CD2 4.06Å; F103-L136 HydrophobicContact CD1-CD1 4.14Å; F103-L136 HydrophobicContact CD2-CD1 3.94Å; F103-L136 HydrophobicContact CE1-CD1 3.88Å; F103-L136 HydrophobicContact CE2-CD1 3.68Å; F103-L136 HydrophobicContact CG-CD1 4.17Å; F103-L136 HydrophobicContact CZ-CD1 3.64Å; F106-L136 HydrophobicContact CD2-CD1 4.11Å; F106-L136 HydrophobicContact CD2-CG 4.44Å; F106-L136 HydrophobicContact CE2-CD1 3.67Å; F106-L136 HydrophobicContact CE2-CD2 3.84Å; F106-L136 HydrophobicContact CE2-CG 3.6Å; F106-L136 HydrophobicContact CZ-CD2 4.21Å; F106-L136 HydrophobicContact CZ-CG 4.05Å; A132-L136 HydrophobicContact CB-CD1 4.44Å; A132-L136 WeakPolarHBondContact O-CB 3.15Å; A132-L136 WeakPolarHBondContact O-CG 3.24Å; A132-L136 PolarHBondContact O-N 3.49Å; L136-G138 PolarHBondContact O-N 3.24Å; L136-T139 WeakPolarHBondContact O-CB 3.43Å; L136-T139 PolarHBondContact O-N 3.5Å; L136-T139 VanDerWaalsContact O-N 3.11Å; L136-T139 PolarHBondContact O-OG1 3.17Å; L136-V148 HydrophobicContact CB-CG2 3.8Å |
| 137 | H | 93.1 | Very high | 90.7 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 124.1 | 176.8 | -171.8 | 93.5 | 0 | 0 | 0 | 110.8 | I133 T139 V148 | I133-H137 WeakPolarHBondContact O-CB 3.39Å; I133-H137 PolarHBondContact O-N 2.88Å; H137-T139 VanDerWaalsContact C-N 3.3Å; H137-T139 PolarHBondContact O-N 2.99Å; H137-V148 HydrophobicContact CB-CB 4.29Å; H137-V148 PolarHBondContact ND1-N 3.22Å; H137-V148 VanDerWaalsContact ND1-N 3.14Å; H137-V148 PolarHBondContact ND1-O 3.11Å |
| 138 | G | 89.5 | Confident | 90.9 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -4.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L136 L146 | L136-G138 PolarHBondContact O-N 3.24Å; G138-L146 PolarHBondContact N-O 3.22Å |
| 139 | T | 90.4 | Very high | 90.9 | Very high | 51 Ų | 51 | 61 Ų | 61 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | trans | -72.2 | 134.3 | 177.9 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | A135 L136 H137 F141 P145 L146 | A135-T139 WeakPolarHBondContact O-CG2 3.5Å; L136-T139 WeakPolarHBondContact O-CB 3.43Å; L136-T139 PolarHBondContact O-N 3.5Å; L136-T139 VanDerWaalsContact O-N 3.11Å; L136-T139 PolarHBondContact O-OG1 3.17Å; H137-T139 VanDerWaalsContact C-N 3.3Å; H137-T139 PolarHBondContact O-N 2.99Å; T139-F141 PolarHBondContact O-N 3.44Å; T139-P145 CarbonylContact O-C 3.59Å; T139-P145 WeakPolarHBondContact O-CA 3.46Å; T139-L146 PolarHBondContact O-N 3.45Å | ||
| 140 | S | 89.6 | Confident | 90.8 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 69% | 0.692 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 106.4 | 177.3 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | R144 | S140-R144 CarbonylContact C-O 3.47Å; S140-R144 WeakPolarHBondContact CA-O 3.48Å |
| 141 | F | 85.9 | Confident | 90.4 | Very high | 46 Ų | 46 | 62 Ų | 62 | 20% | 0.202 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.9 | 174.7 | -167.8 | -113.3 | 0 | 0 | 0 | 110.6 | C94 D98 L102 T139 G143 R144 L146 | C94-F141 HydrophobicContact CB-CE1 4.29Å; C94-F141 WeakPolarHBondContact SG-CD1 3.31Å; C94-F141 VanDerWaalsContact SG-CE1 3.59Å; D98-F141 HydrophobicContact CB-CE1 3.95Å; D98-F141 HydrophobicContact CB-CZ 3.87Å; L102-F141 HydrophobicContact CD1-CD1 3.88Å; L102-F141 HydrophobicContact CD1-CD2 3.71Å; L102-F141 HydrophobicContact CD1-CE1 3.78Å; L102-F141 HydrophobicContact CD1-CE2 3.6Å; L102-F141 HydrophobicContact CD1-CG 3.87Å; L102-F141 HydrophobicContact CD1-CZ 3.65Å; L102-F141 HydrophobicContact CG-CE2 4.31Å; T139-F141 PolarHBondContact O-N 3.44Å; F141-G143 VanDerWaalsContact C-N 3.27Å; F141-G143 PolarHBondContact O-N 2.9Å; F141-R144 PolarHBondContact N-O 3.32Å; F141-R144 PolarHBondContact O-N 2.8Å; F141-R144 VanDerWaalsContact O-O 3.14Å; F141-L146 HydrophobicContact CB-CD1 3.61Å; F141-L146 HydrophobicContact CB-CD2 3.98Å; F141-L146 HydrophobicContact CB-CG 3.71Å; F141-L146 HydrophobicContact CG-CD1 4.29Å |
| 142 | K | 84.9 | Confident | 89.5 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 43.7 | -175 | -54.8 | -164 | -174.6 | -166 | 0 | 113.6 | M93 D98 R144 | M93-K142 HydrophobicContact CB-CD 3.87Å; M93-K142 PolarHBondContact O-NZ 2.99Å; D98-K142 WeakPolarHBondContact OD2-CE 3.36Å; D98-K142 IonicContact OD2-NZ 3.77Å; D98-K142 PolarHBondContact OD2-NZ 2.97Å; K142-R144 PolarHBondContact O-N 3.18Å |
| 143 | G | 85.1 | Confident | 87.7 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 78% | 0.784 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 5.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | F141 | F141-G143 VanDerWaalsContact C-N 3.27Å; F141-G143 PolarHBondContact O-N 2.9Å |
| 144 | R | 89.2 | Confident | 85.6 | Confident | 116 Ų | 116 | 75.9 Ų | 75.9 | 44% | 0.438 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140 | 174 | -56.4 | -176.8 | 90.3 | -170.1 | 6.2 | 110.4 | N89 L90 S140 F141 K142 L146 | N89-R144 VanDerWaalsContact OD1-CZ 3.29Å; N89-R144 PolarHBondContact OD1-NH2 3.41Å; L90-R144 PolarHBondContact O-NH1 3.02Å; S140-R144 CarbonylContact C-O 3.47Å; S140-R144 WeakPolarHBondContact CA-O 3.48Å; F141-R144 PolarHBondContact N-O 3.32Å; F141-R144 PolarHBondContact O-N 2.8Å; F141-R144 VanDerWaalsContact O-O 3.14Å; K142-R144 PolarHBondContact O-N 3.18Å; R144-L146 PolarHBondContact O-N 3.35Å |
| 145 | P | 91.3 | Very high | 83.3 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.1 | 174.9 | 27.7 | -32.3 | 0 | 0 | 0 | 110.4 | N89 T139 | N89-P145 WeakPolarHBondContact CB-O 3.43Å; N89-P145 PolarHBondContact ND2-O 3.27Å; T139-P145 CarbonylContact O-C 3.59Å; T139-P145 WeakPolarHBondContact O-CA 3.46Å |
| 146 | L | 92.9 | Very high | 81 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.016 | 44% | 0.437 | C | S | . | . | trans | -72.9 | 138.5 | 175.9 | -61.1 | -176.9 | 0 | 0 | 0 | 110 | V87 L90 G138 T139 F141 R144 V148 | V87-L146 HydrophobicContact CG1-CD2 4.49Å; L90-L146 HydrophobicContact CD2-CD2 3.43Å; L90-L146 VanDerWaalsContact CD2-CD2 3.43Å; L90-L146 HydrophobicContact CG-CD2 4.3Å; G138-L146 PolarHBondContact N-O 3.22Å; T139-L146 PolarHBondContact O-N 3.45Å; F141-L146 HydrophobicContact CB-CD1 3.61Å; F141-L146 HydrophobicContact CB-CD2 3.98Å; F141-L146 HydrophobicContact CB-CG 3.71Å; F141-L146 HydrophobicContact CG-CD1 4.29Å; R144-L146 PolarHBondContact O-N 3.35Å; L146-V148 HydrophobicContact CB-CG2 4.28Å | ||
| 147 | S | 90.9 | Very high | 78.8 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 31% | 0.308 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 104.8 | 170 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | V87 G88 | V87-S147 CarbonylContact C-O 3.52Å; V87-S147 WeakPolarHBondContact CA-O 3.49Å; G88-S147 PolarHBondContact N-O 3.32Å; G88-S147 PolarHBondContact O-N 3.31Å |
| 148 | V | 93.4 | Very high | 76.6 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.006 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129 | -178.7 | -166.2 | 0 | 0 | 0 | 0 | 109.2 | V85 F86 V87 F103 I133 L136 H137 L146 | V85-V148 HydrophobicContact CG1-CG1 3.3Å; F86-V148 CarbonylContact O-C 3.59Å; F86-V148 VanDerWaalsContact O-CA 3.32Å; F86-V148 WeakPolarHBondContact O-CA 3.28Å; V87-V148 HydrophobicContact CG1-CG2 4.33Å; V87-V148 HydrophobicContact CG2-CG1 4.38Å; F103-V148 HydrophobicContact CE1-CG1 4.1Å; F103-V148 HydrophobicContact CZ-CG1 3.82Å; F103-V148 HydrophobicContact CZ-CG2 4.32Å; I133-V148 HydrophobicContact CB-CG1 4.34Å; I133-V148 HydrophobicContact CG1-CG1 3.71Å; L136-V148 HydrophobicContact CB-CG2 3.8Å; H137-V148 HydrophobicContact CB-CB 4.29Å; H137-V148 PolarHBondContact ND1-N 3.22Å; H137-V148 VanDerWaalsContact ND1-N 3.14Å; H137-V148 PolarHBondContact ND1-O 3.11Å; L146-V148 HydrophobicContact CB-CG2 4.28Å |
| 149 | E | 91.4 | Very high | 74.3 | Confident | 110 Ų | 110 | 88.9 Ų | 88.9 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.9 | -178.2 | -158.3 | -178.1 | 175.6 | 0 | 0 | 110.4 | F86 S151 | F86-E149 HydrophobicContact CD1-CB 4.5Å; F86-E149 PolarHBondContact N-O 2.8Å; F86-E149 PolarHBondContact O-N 2.81Å; E149-S151 PolarHBondContact O-N 2.77Å |
| 150 | L | 90.7 | Very high | 72.1 | Confident | 69 Ų | 69 | 89.8 Ų | 89.8 | 36% | 0.361 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 124.6 | 168.5 | -76.7 | 171.1 | 0 | 0 | 0 | 109.2 | T83 L130 I133 K152 | T83-L150 HydrophobicContact CG2-CD2 3.43Å; T83-L150 VanDerWaalsContact CG2-CD2 3.43Å; L130-L150 HydrophobicContact CD2-CD1 3.83Å; L130-L150 HydrophobicContact CD2-CD2 4.49Å; L130-L150 HydrophobicContact CD2-CG 4.34Å; I133-L150 HydrophobicContact CD1-CB 4.36Å; I133-L150 HydrophobicContact CD1-CD2 3.66Å; I133-L150 HydrophobicContact CD1-CG 3.55Å; L150-K152 PolarHBondContact O-N 3.4Å |
| 151 | S | 82.1 | Confident | 70.1 | Confident | 21 Ų | 21 | 91.7 Ų | 91.7 | 15% | 0.147 | 50% | 0.504 | C | S | . | . | trans | -64.9 | 124.7 | 175.1 | -175 | 0 | 0 | 0 | 0 | 108.2 | K84 E149 V153 | K84-S151 WeakPolarHBondContact O-CB 3.32Å; K84-S151 PolarHBondContact O-N 3.35Å; E149-S151 PolarHBondContact O-N 2.77Å; S151-V153 PolarHBondContact O-N 2.89Å | ||
| 152 | K | 74.5 | Confident | 68.7 | Low | 180 Ų | 180 | 92.3 Ų | 92.3 | 78% | 0.783 | 52% | 0.523 | S | S | * | . | trans | -57.4 | 109.1 | 162.4 | -64.3 | 178 | -174.8 | 176.5 | 0 | 106 | L150 Q154 | L150-K152 PolarHBondContact O-N 3.4Å; K152-Q154 PolarHBondContact O-N 3.03Å | ||
| 153 | V | 56.9 | Low | 67.2 | Low | 117 Ų | 117 | 96.9 Ų | 96.9 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | trans | -65.1 | 92.2 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 106.1 | S151 P155 | S151-V153 PolarHBondContact O-N 2.89Å; V153-P155 WeakPolarHBondContact O-CD 3.3Å | ||
| 154 | Q | 48.2 | Very low | 66.3 | Low | 129 Ų | 129 | 99.7 Ų | 99.7 | 60% | 0.603 | 54% | 0.539 | S | S | * | . | trans | -71.2 | 117.2 | 154.7 | -80.5 | -172.5 | 48.8 | 0 | 0 | 104.4 | K152 S156 K157 | K152-Q154 PolarHBondContact O-N 3.03Å; Q154-S156 PolarHBondContact O-N 3.31Å; Q154-S156 VanDerWaalsContact O-N 3.11Å; Q154-K157 VanDerWaalsContact OE1-CE 3.31Å; Q154-K157 VanDerWaalsContact OE1-NZ 3.1Å | ||
| 155 | P | 44.8 | Very low | 65.2 | Low | 103 Ų | 103 | 97.4 Ų | 97.4 | 67% | 0.669 | 54% | 0.539 | S | S | * | . | trans | -50.9 | 128.1 | 167.2 | 23.2 | -31.3 | 0 | 0 | 0 | 106 | V153 K157 | V153-P155 WeakPolarHBondContact O-CD 3.3Å; P155-K157 PolarHBondContact O-N 3.44Å | ||
| 156 | S | 43.4 | Very low | 64.1 | Low | 106 Ų | 106 | 94.4 Ų | 94.4 | 74% | 0.741 | 52% | 0.52 | S | S | * | . | trans | -44 | 107.7 | -174 | 174.6 | 0 | 0 | 0 | 0 | 109.2 | Q154 Q158 | Q154-S156 PolarHBondContact O-N 3.31Å; Q154-S156 VanDerWaalsContact O-N 3.11Å; S156-Q158 PolarHBondContact O-N 3.5Å | ||
| 157 | K | 46.1 | Very low | 63 | Low | 160 Ų | 160 | 100.6 Ų | 100.6 | 70% | 0.696 | 56% | 0.557 | S | S | * | * | trans | -67.8 | 80.6 | 168.1 | -70.2 | 176.7 | 179.3 | 168.7 | 0 | 106.1 | Q154 P155 T159 | Q154-K157 VanDerWaalsContact OE1-CE 3.31Å; Q154-K157 VanDerWaalsContact OE1-NZ 3.1Å; P155-K157 PolarHBondContact O-N 3.44Å; K157-T159 PolarHBondContact O-N 3.38Å | ||
| 158 | Q | 47.3 | Very low | 61.7 | Low | 157 Ų | 157 | 103.7 Ų | 103.7 | 73% | 0.734 | 57% | 0.57 | S | S | * | * | trans | -60.2 | 97.1 | 145.5 | -77.7 | -179.9 | 3.8 | 0 | 0 | 104.1 | S156 P160 | S156-Q158 PolarHBondContact O-N 3.5Å; Q158-P160 VanDerWaalsContact O-CD 3.25Å; Q158-P160 WeakPolarHBondContact O-CD 3.39Å | ||
| 159 | T | 42 | Very low | 60.6 | Low | 116 Ų | 116 | 105.1 Ų | 105.1 | 71% | 0.712 | 58% | 0.58 | S | S | * | * | trans | -49 | 116.4 | 166.1 | 19.9 | 0 | 0 | 0 | 0 | 106.6 | K157 T161 | K157-T159 PolarHBondContact O-N 3.38Å; T159-T161 VanDerWaalsContact C-N 3.28Å; T159-T161 PolarHBondContact O-N 2.86Å | ||
| 160 | P | 43.8 | Very low | 59.5 | Low | 71 Ų | 71 | 102.4 Ų | 102.4 | 46% | 0.461 | 58% | 0.582 | S | S | . | * | trans | -66.7 | 97.7 | 175.7 | 25.5 | -29.6 | 0 | 0 | 0 | 106.4 | Q158 G162 Y175 | Q158-P160 VanDerWaalsContact O-CD 3.25Å; Q158-P160 WeakPolarHBondContact O-CD 3.39Å; P160-G162 PolarHBondContact O-N 3.45Å; P160-Y175 HydrophobicContact CB-CE2 3.81Å; P160-Y175 HydrophobicContact CG-CE2 4.13Å | ||
| 161 | T | 47.5 | Very low | 58.2 | Low | 138 Ų | 138 | 105.8 Ų | 105.8 | 85% | 0.847 | 59% | 0.594 | S | S | * | * | trans | -52.8 | 111.4 | 160.1 | 38.3 | 0 | 0 | 0 | 0 | 106 | T159 | T159-T161 VanDerWaalsContact C-N 3.28Å; T159-T161 PolarHBondContact O-N 2.86Å | ||
| 162 | G | 56.4 | Low | 57.2 | Low | 59 Ų | 59 | 111.9 Ų | 111.9 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -56.8 | 154.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114 | P160 | P160-G162 PolarHBondContact O-N 3.45Š|
| 163 | K | 53.7 | Low | 56.7 | Low | 189 Ų | 189 | 106.8 Ų | 106.8 | 82% | 0.822 | 62% | 0.618 | S | S | * | * | trans | 144.6 | 8.2 | 155.4 | -78.1 | 166.7 | -172.1 | -170.4 | 0 | 114.2 | ||||
| 164 | I | 65.6 | Low | 57.1 | Low | 136 Ų | 136 | 103 Ų | 103 | 70% | 0.697 | 59% | 0.593 | S | S | * | * | trans | -107.8 | 112.2 | 172.7 | -54.1 | 170 | 0 | 0 | 0 | 108.7 | ||||
| 165 | P | 67.1 | Low | 57.9 | Low | 68 Ų | 68 | 102.9 Ų | 102.9 | 44% | 0.442 | 59% | 0.588 | S | S | . | * | trans | -69.2 | 147.1 | 174.6 | 28.3 | -32.4 | 0 | 0 | 0 | 110.8 | V167 G170 Q172 | P165-V167 PolarHBondContact O-N 3.19Å; P165-G170 WeakPolarHBondContact CB-O 3.09Å; P165-Q172 HydrophobicContact CB-CG 4.34Å | ||
| 166 | C | 68.3 | Low | 58.6 | Low | 6 Ų | 6 | 100 Ų | 100 | 4% | 0.041 | 57% | 0.572 | C | S | . | * | trans | -60.5 | 128.7 | 177 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | N168 C169 G170 K171 H174 | C166-N168 VanDerWaalsContact C-N 3.26Å; C166-N168 PolarHBondContact O-N 3.35Å; C166-C169 PolarHBondContact O-N 3.38Å; C166-C169 PolarHBondContact SG-SG 3.31Å; C166-G170 VanDerWaalsContact O-CA 3.27Å; C166-G170 WeakPolarHBondContact O-CA 3.43Å; C166-G170 PolarHBondContact O-N 3.14Å; C166-K171 VanDerWaalsContact CB-O 3.31Å; C166-K171 WeakPolarHBondContact CB-O 3.41Å; C166-K171 PolarHBondContact N-O 3.38Å; C166-H174 VanDerWaalsContact CB-NE2 3.33Å; C166-H174 WeakPolarHBondContact CB-NE2 3.47Å; C166-H174 PolarHBondContact SG-NE2 2.94Å; C166-H174 VanDerWaalsContact SG-NE2 3.41Å | ||
| 167 | V | 68.4 | Low | 59.4 | Low | 132 Ų | 132 | 98.3 Ų | 98.3 | 80% | 0.8 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -30 | -179.2 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | P165 | P165-V167 PolarHBondContact O-N 3.19Š|
| 168 | N | 63.4 | Low | 60 | Low | 109 Ų | 109 | 97.8 Ų | 97.8 | 58% | 0.583 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -27.9 | -177.6 | -80.1 | -14.9 | 0 | 0 | 0 | 114.3 | C166 A176 C179 | C166-N168 VanDerWaalsContact C-N 3.26Å; C166-N168 PolarHBondContact O-N 3.35Å; N168-A176 PolarHBondContact ND2-O 3.3Å; N168-C179 HydrophobicContact CB-CB 4.5Å |
| 169 | C | 71.8 | Confident | 60.6 | Low | 32 Ų | 32 | 90.6 Ų | 90.6 | 22% | 0.216 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | 5 | -170.4 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | C166 K171 H174 C179 V181 | C166-C169 PolarHBondContact O-N 3.38Å; C166-C169 PolarHBondContact SG-SG 3.31Å; C169-K171 PolarHBondContact O-N 3.42Å; C169-H174 PolarHBondContact SG-NE2 2.71Å; C169-C179 WeakPolarHBondContact CB-SG 3.37Å; C169-C179 WeakPolarHBondContact SG-CB 3.48Å; C169-C179 CovalentContact SG-SG 2.08Å; C169-C179 PolarHBondContact SG-SG 2.93Å; C169-V181 HydrophobicContact CB-CB 4.1Å; C169-V181 HydrophobicContact CB-CG2 3.91Å |
| 170 | G | 66.7 | Low | 61.5 | Low | 53 Ų | 53 | 90.7 Ų | 90.7 | 55% | 0.546 | 54% | 0.541 | S | S | . | . | trans | 68.5 | -7.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | P165 C166 | P165-G170 WeakPolarHBondContact CB-O 3.09Å; C166-G170 VanDerWaalsContact O-CA 3.27Å; C166-G170 WeakPolarHBondContact O-CA 3.43Å; C166-G170 PolarHBondContact O-N 3.14Å | ||
| 171 | K | 65.3 | Low | 62.4 | Low | 140 Ų | 140 | 92.3 Ų | 92.3 | 61% | 0.609 | 55% | 0.549 | S | S | * | . | trans | -83.9 | 141.2 | -178.1 | -68 | 178.5 | -174.3 | -179 | 0 | 110.7 | C166 C169 | C166-K171 VanDerWaalsContact CB-O 3.31Å; C166-K171 WeakPolarHBondContact CB-O 3.41Å; C166-K171 PolarHBondContact N-O 3.38Å; C169-K171 PolarHBondContact O-N 3.42Å | ||
| 172 | Q | 60 | Low | 62.4 | Low | 149 Ų | 149 | 87 Ų | 87 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -80.9 | 148.6 | 175.2 | -59 | 179.2 | 33.1 | 0 | 0 | 109.6 | P165 | P165-Q172 HydrophobicContact CB-CG 4.34Š|
| 173 | G | 63.6 | Low | 61.9 | Low | 73 Ų | 73 | 93.3 Ų | 93.3 | 75% | 0.753 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 109.5 | 4.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 174 | H | 65.6 | Low | 61.9 | Low | 37 Ų | 37 | 88.2 Ų | 88.2 | 17% | 0.171 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -154.9 | 156.4 | 171.2 | 58.4 | -88.2 | 0 | 0 | 0 | 110.9 | C166 C169 C179 | C166-H174 VanDerWaalsContact CB-NE2 3.33Å; C166-H174 WeakPolarHBondContact CB-NE2 3.47Å; C166-H174 PolarHBondContact SG-NE2 2.94Å; C166-H174 VanDerWaalsContact SG-NE2 3.41Å; C169-H174 PolarHBondContact SG-NE2 2.71Å; H174-C179 WeakPolarHBondContact CD2-CA 3.36Å; H174-C179 WeakPolarHBondContact NE2-CB 3.33Å; H174-C179 PolarHBondContact NE2-SG 3.48Å; H174-C179 VanDerWaalsContact NE2-SG 3.41Å |
| 175 | Y | 64.7 | Low | 61.3 | Low | 127 Ų | 127 | 84.3 Ų | 84.3 | 50% | 0.498 | 50% | 0.504 | S | S | . | . | trans | -85.4 | 161.8 | 174.2 | -72.2 | -83.7 | 0 | 0 | 0 | 111.3 | P160 G177 E178 C179 | P160-Y175 HydrophobicContact CB-CE2 3.81Å; P160-Y175 HydrophobicContact CG-CE2 4.13Å; Y175-G177 PolarHBondContact O-N 3.27Å; Y175-E178 PolarHBondContact O-N 2.88Å; Y175-C179 PolarHBondContact O-N 3.43Å | ||
| 176 | A | 60.9 | Low | 60.9 | Low | 42 Ų | 42 | 87.1 Ų | 87.1 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -54.8 | -27.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N168 | N168-A176 PolarHBondContact ND2-O 3.3Š|
| 177 | G | 58.8 | Low | 60.4 | Low | 70 Ų | 70 | 93.6 Ų | 93.6 | 72% | 0.722 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -77.4 | -14 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y175 | Y175-G177 PolarHBondContact O-N 3.27Š|
| 178 | E | 58.6 | Low | 60 | Low | 150 Ų | 150 | 93 Ų | 93 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -121.7 | 15.7 | -178.6 | -62.9 | -177 | 165.4 | 0 | 0 | 111.7 | Y175 P180 | Y175-E178 PolarHBondContact O-N 2.88Å; E178-P180 WeakPolarHBondContact O-CD 3.21Å |
| 179 | C | 60.5 | Low | 59.9 | Low | 6 Ų | 6 | 91.9 Ų | 91.9 | 4% | 0.041 | 52% | 0.521 | C | S | . | . | trans | -66.9 | 127.3 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | N168 C169 H174 Y175 V181 G182 | N168-C179 HydrophobicContact CB-CB 4.5Å; C169-C179 WeakPolarHBondContact CB-SG 3.37Å; C169-C179 WeakPolarHBondContact SG-CB 3.48Å; C169-C179 CovalentContact SG-SG 2.08Å; C169-C179 PolarHBondContact SG-SG 2.93Å; H174-C179 WeakPolarHBondContact CD2-CA 3.36Å; H174-C179 WeakPolarHBondContact NE2-CB 3.33Å; H174-C179 PolarHBondContact NE2-SG 3.48Å; H174-C179 VanDerWaalsContact NE2-SG 3.41Å; Y175-C179 PolarHBondContact O-N 3.43Å; C179-V181 PolarHBondContact O-N 3.07Å; C179-V181 VanDerWaalsContact SG-CB 3.54Å; C179-V181 PolarHBondContact SG-N 3.48Å; C179-V181 VanDerWaalsContact SG-N 3.36Å; C179-G182 WeakPolarHBondContact O-CA 3.23Å; C179-G182 PolarHBondContact O-N 3.35Å | ||
| 180 | P | 61 | Low | 59.7 | Low | 117 Ų | 117 | 93 Ų | 93 | 76% | 0.76 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.4 | 176.7 | 26.3 | -34.3 | 0 | 0 | 0 | 113.3 | E178 | E178-P180 WeakPolarHBondContact O-CD 3.21Š|
| 181 | V | 62 | Low | 59.6 | Low | 105 Ų | 105 | 92.3 Ų | 92.3 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.2 | 172.9 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | C169 C179 | C169-V181 HydrophobicContact CB-CB 4.1Å; C169-V181 HydrophobicContact CB-CG2 3.91Å; C179-V181 PolarHBondContact O-N 3.07Å; C179-V181 VanDerWaalsContact SG-CB 3.54Å; C179-V181 PolarHBondContact SG-N 3.48Å; C179-V181 VanDerWaalsContact SG-N 3.36Å |
| 182 | G | 48.3 | Very low | 59.6 | Low | 27 Ų | 27 | 92.2 Ų | 92.2 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | trans | -133.8 | 66.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C179 | C179-G182 WeakPolarHBondContact O-CA 3.23Å; C179-G182 PolarHBondContact O-N 3.35Å | ||
| 183 | K | 46.1 | Very low | 60 | Low | 191 Ų | 191 | 86.9 Ų | 86.9 | 83% | 0.83 | 49% | 0.493 | S | S | * | . | -149.3 | 109.5 | 120.6 | -61 | -169.7 | -174.7 | 174.9 | 0 | 106.3 | S185 | K183-S185 PolarHBondContact O-N 3.4Š| |||
| 184 | P | 52.7 | Low | 60.3 | Low | 83 Ų | 83 | 83.4 Ų | 83.4 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | trans | -56 | 128.5 | 157.4 | 25.4 | -29.4 | 0 | 0 | 0 | 105.4 | Q188 | P184-Q188 HydrophobicContact CB-CB 4.14Å; P184-Q188 HydrophobicContact CB-CG 4.36Å | ||
| 185 | S | 54.4 | Low | 60.6 | Low | 53 Ų | 53 | 85.8 Ų | 85.8 | 37% | 0.371 | 47% | 0.474 | S | S | . | . | trans | -52.5 | 149.4 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 108.2 | K183 E187 Q188 Y189 | K183-S185 PolarHBondContact O-N 3.4Å; S185-E187 PolarHBondContact O-N 3.1Å; S185-Q188 WeakPolarHBondContact O-CA 3.25Å; S185-Q188 WeakPolarHBondContact O-CB 3.49Å; S185-Q188 PolarHBondContact O-N 3.27Å; S185-Q188 PolarHBondContact OG-N 3.47Å; S185-Y189 PolarHBondContact O-N 3.2Å; S185-Y189 VanDerWaalsContact O-N 3.11Å | ||
| 186 | L | 57.2 | Low | 60.9 | Low | 128 Ų | 128 | 83.9 Ų | 83.9 | 67% | 0.67 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -51.2 | -32.9 | 176.9 | -169.7 | 117.6 | 0 | 0 | 0 | 110.9 | Y189 Q190 | L186-Y189 PolarHBondContact O-N 2.93Å; L186-Q190 VanDerWaalsContact CD2-NE2 3.35Å; L186-Q190 WeakPolarHBondContact O-CB 3.47Å; L186-Q190 VanDerWaalsContact O-CG 3.29Å; L186-Q190 WeakPolarHBondContact O-CG 2.79Å; L186-Q190 PolarHBondContact O-N 2.76Å |
| 187 | E | 59.2 | Low | 61.3 | Low | 141 Ų | 141 | 83.4 Ų | 83.4 | 66% | 0.659 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.2 | -38.4 | 172.6 | -62.1 | 173.1 | 142.1 | 0 | 0 | 113.7 | S185 Y189 Q190 S191 | S185-E187 PolarHBondContact O-N 3.1Å; E187-Y189 VanDerWaalsContact C-N 3.32Å; E187-Q190 PolarHBondContact O-N 2.73Å; E187-S191 WeakPolarHBondContact O-CB 3.29Å; E187-S191 PolarHBondContact O-N 2.8Å; E187-S191 PolarHBondContact O-OG 2.78Å |
| 188 | Q | 59.1 | Low | 61.6 | Low | 119 Ų | 119 | 80.9 Ų | 80.9 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.8 | -30.9 | 175.9 | -167 | 150.4 | -8 | 0 | 0 | 112 | P184 S185 S191 Q192 | P184-Q188 HydrophobicContact CB-CB 4.14Å; P184-Q188 HydrophobicContact CB-CG 4.36Å; S185-Q188 WeakPolarHBondContact O-CA 3.25Å; S185-Q188 WeakPolarHBondContact O-CB 3.49Å; S185-Q188 PolarHBondContact O-N 3.27Å; S185-Q188 PolarHBondContact OG-N 3.47Å; Q188-S191 VanDerWaalsContact CA-OG 3.3Å; Q188-S191 WeakPolarHBondContact CA-OG 3.44Å; Q188-S191 PolarHBondContact O-OG 2.77Å; Q188-S191 VanDerWaalsContact O-OG 3.09Å; Q188-Q192 WeakPolarHBondContact O-CB 3.46Å; Q188-Q192 PolarHBondContact O-N 3.4Å; Q188-Q192 VanDerWaalsContact O-N 3.15Å |
| 189 | Y | 62.3 | Low | 62 | Low | 87 Ų | 87 | 76.5 Ų | 76.5 | 34% | 0.341 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.5 | -44.6 | 172.5 | -164.5 | -97 | 0 | 0 | 0 | 112.1 | S185 L186 E187 Q192 A193 Y258 | S185-Y189 PolarHBondContact O-N 3.2Å; S185-Y189 VanDerWaalsContact O-N 3.11Å; L186-Y189 PolarHBondContact O-N 2.93Å; E187-Y189 VanDerWaalsContact C-N 3.32Å; Y189-Q192 PolarHBondContact O-N 3.26Å; Y189-A193 WeakPolarHBondContact O-CB 3.25Å; Y189-A193 PolarHBondContact O-N 3.33Å; Y189-Y258 AromaticContact CZ-CE1 3.96Å; Y189-Y258 WeakPolarHBondContact OH-CE1 3.09Å; Y189-Y258 PolarHBondContact OH-OH 3.35Å |
| 190 | Q | 66.5 | Low | 62.4 | Low | 54 Ų | 54 | 78.1 Ų | 78.1 | 25% | 0.252 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.6 | -76.2 | 173.5 | -20.8 | 0 | 0 | 111.8 | L186 E187 A193 A194 | L186-Q190 VanDerWaalsContact CD2-NE2 3.35Å; L186-Q190 WeakPolarHBondContact O-CB 3.47Å; L186-Q190 VanDerWaalsContact O-CG 3.29Å; L186-Q190 WeakPolarHBondContact O-CG 2.79Å; L186-Q190 PolarHBondContact O-N 2.76Å; E187-Q190 PolarHBondContact O-N 2.73Å; Q190-A193 PolarHBondContact O-N 2.81Å; Q190-A194 VanDerWaalsContact O-CB 3.25Å; Q190-A194 WeakPolarHBondContact O-CB 3.43Å; Q190-A194 PolarHBondContact O-N 2.9Å |
| 191 | S | 64.2 | Low | 62.7 | Low | 39 Ų | 39 | 73 Ų | 73 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 176.7 | 52 | 0 | 0 | 0 | 0 | 112.5 | E187 Q188 A194 V195 Y219 | E187-S191 WeakPolarHBondContact O-CB 3.29Å; E187-S191 PolarHBondContact O-N 2.8Å; E187-S191 PolarHBondContact O-OG 2.78Å; Q188-S191 VanDerWaalsContact CA-OG 3.3Å; Q188-S191 WeakPolarHBondContact CA-OG 3.44Å; Q188-S191 PolarHBondContact O-OG 2.77Å; Q188-S191 VanDerWaalsContact O-OG 3.09Å; S191-A194 PolarHBondContact O-N 3.15Å; S191-V195 WeakPolarHBondContact O-CG2 3.36Å; S191-V195 PolarHBondContact O-N 3Å; S191-Y219 VanDerWaalsContact CA-OH 3.25Å; S191-Y219 WeakPolarHBondContact CA-OH 3.3Å; S191-Y219 WeakPolarHBondContact CB-OH 3.32Å |
| 192 | Q | 65.7 | Low | 62.7 | Low | 139 Ų | 139 | 70 Ų | 70 | 65% | 0.65 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | 176.3 | -168.4 | 157.7 | 53.5 | 0 | 0 | 112.1 | Q188 Y189 L196 | Q188-Q192 WeakPolarHBondContact O-CB 3.46Å; Q188-Q192 PolarHBondContact O-N 3.4Å; Q188-Q192 VanDerWaalsContact O-N 3.15Å; Y189-Q192 PolarHBondContact O-N 3.26Å; Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 PolarHBondContact O-N 3.3Å; Q192-L196 VanDerWaalsContact O-N 3.11Å |
| 193 | A | 68.7 | Low | 63.5 | Low | 36 Ų | 36 | 73.2 Ų | 73.2 | 30% | 0.298 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y189 Q190 L196 A197 V218 | Y189-A193 WeakPolarHBondContact O-CB 3.25Å; Y189-A193 PolarHBondContact O-N 3.33Å; Q190-A193 PolarHBondContact O-N 2.81Å; A193-L196 PolarHBondContact O-N 3.08Å; A193-A197 WeakPolarHBondContact O-CB 3.48Å; A193-A197 PolarHBondContact O-N 2.8Å; A193-V218 HydrophobicContact CB-CG1 4.23Å |
| 194 | A | 70.9 | Confident | 64.5 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q190 S191 L196 A197 A198 H215 V218 Y219 | Q190-A194 VanDerWaalsContact O-CB 3.25Å; Q190-A194 WeakPolarHBondContact O-CB 3.43Å; Q190-A194 PolarHBondContact O-N 2.9Å; S191-A194 PolarHBondContact O-N 3.15Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-A197 PolarHBondContact O-N 2.78Å; A194-A198 WeakPolarHBondContact O-CB 3.25Å; A194-A198 PolarHBondContact O-N 2.86Å; A194-A198 VanDerWaalsContact O-N 3.09Å; A194-H215 PolarHBondContact O-ND1 3.4Å; A194-V218 HydrophobicContact CB-CB 3.74Å; A194-V218 HydrophobicContact CB-CG1 3.77Å; A194-V218 HydrophobicContact CB-CG2 4.44Å; A194-Y219 HydrophobicContact CB-CD2 4.02Å; A194-Y219 HydrophobicContact CB-CE1 4.32Å; A194-Y219 HydrophobicContact CB-CE2 3.34Å |
| 195 | V | 70.4 | Confident | 65 | Low | 88 Ų | 88 | 66.2 Ų | 66.2 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | S191 A198 A199 H215 | S191-V195 WeakPolarHBondContact O-CG2 3.36Å; S191-V195 PolarHBondContact O-N 3Å; V195-A198 PolarHBondContact O-N 2.89Å; V195-A199 WeakPolarHBondContact O-CB 3.37Å; V195-A199 PolarHBondContact O-N 3.4Å; V195-H215 PolarHBondContact N-CE1 2.99Å; V195-H215 PolarHBondContact N-ND1 3.43Å |
| 196 | L | 70.9 | Confident | 66 | Low | 87 Ų | 87 | 67.2 Ų | 67.2 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | -179.9 | -147.6 | 98.3 | 0 | 0 | 0 | 112.3 | Q192 A193 A194 A199 A200 V257 | Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 PolarHBondContact O-N 3.3Å; Q192-L196 VanDerWaalsContact O-N 3.11Å; A193-L196 PolarHBondContact O-N 3.08Å; A194-L196 VanDerWaalsContact C-N 3.32Å; L196-A199 PolarHBondContact O-N 2.81Å; L196-A200 WeakPolarHBondContact O-CB 3.36Å; L196-A200 PolarHBondContact O-N 2.74Å; L196-V257 HydrophobicContact CD2-CG2 4.01Å |
| 197 | A | 69.6 | Low | 66.5 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 26% | 0.256 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | A193 A194 A200 A201 V214 V218 | A193-A197 WeakPolarHBondContact O-CB 3.48Å; A193-A197 PolarHBondContact O-N 2.8Å; A194-A197 PolarHBondContact O-N 2.78Å; A197-A200 PolarHBondContact O-N 3.13Å; A197-A201 WeakPolarHBondContact O-CB 3.44Å; A197-A201 PolarHBondContact O-N 2.75Å; A197-V214 HydrophobicContact CB-CG1 3.7Å; A197-V218 HydrophobicContact CB-CG2 4.2Å |
| 198 | A | 66 | Low | 66.9 | Low | 18 Ų | 18 | 63.9 Ų | 63.9 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A194 V195 A201 A202 H215 | A194-A198 WeakPolarHBondContact O-CB 3.25Å; A194-A198 PolarHBondContact O-N 2.86Å; A194-A198 VanDerWaalsContact O-N 3.09Å; V195-A198 PolarHBondContact O-N 2.89Å; A198-A201 PolarHBondContact O-N 3.12Å; A198-A202 PolarHBondContact O-N 2.82Å; A198-H215 HydrophobicContact CB-CB 3.93Å |
| 199 | A | 66 | Low | 67.4 | Low | 58 Ų | 58 | 65.6 Ų | 65.6 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V195 L196 A202 A203 | V195-A199 WeakPolarHBondContact O-CB 3.37Å; V195-A199 PolarHBondContact O-N 3.4Å; L196-A199 PolarHBondContact O-N 2.81Å; A199-A202 WeakPolarHBondContact O-CB 3.35Å; A199-A202 PolarHBondContact O-N 3.25Å; A199-A203 PolarHBondContact O-N 3.19Å |
| 200 | A | 69.1 | Low | 67.6 | Low | 40 Ų | 40 | 64.3 Ų | 64.3 | 33% | 0.331 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L196 A197 A202 A203 A204 | L196-A200 WeakPolarHBondContact O-CB 3.36Å; L196-A200 PolarHBondContact O-N 2.74Å; A197-A200 PolarHBondContact O-N 3.13Å; A200-A202 VanDerWaalsContact C-N 3.27Å; A200-A202 PolarHBondContact O-N 3.37Å; A200-A203 PolarHBondContact O-N 3.37Å; A200-A204 WeakPolarHBondContact O-CB 3.47Å; A200-A204 PolarHBondContact O-N 3.39Å |
| 201 | A | 67.8 | Low | 67.5 | Low | 8 Ų | 8 | 63.6 Ų | 63.6 | 7% | 0.066 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.6 | -35 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A197 A198 A204 G205 L206 Q211 | A197-A201 WeakPolarHBondContact O-CB 3.44Å; A197-A201 PolarHBondContact O-N 2.75Å; A198-A201 PolarHBondContact O-N 3.12Å; A201-A204 PolarHBondContact O-N 3.49Å; A201-G205 PolarHBondContact O-N 3.39Å; A201-L206 HydrophobicContact CB-CD1 3.94Å; A201-L206 WeakPolarHBondContact O-CB 3.44Å; A201-L206 PolarHBondContact O-N 3.33Å; A201-L206 VanDerWaalsContact O-N 3.16Å; A201-Q211 HydrophobicContact CB-CB 4.36Å; A201-Q211 HydrophobicContact CB-CG 3.96Å |
| 202 | A | 61.7 | Low | 67.7 | Low | 44 Ų | 44 | 67.6 Ų | 67.6 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | A198 A199 A200 A204 G205 Q211 | A198-A202 PolarHBondContact O-N 2.82Å; A199-A202 WeakPolarHBondContact O-CB 3.35Å; A199-A202 PolarHBondContact O-N 3.25Å; A200-A202 VanDerWaalsContact C-N 3.27Å; A200-A202 PolarHBondContact O-N 3.37Å; A202-A204 PolarHBondContact O-N 3.32Å; A202-G205 PolarHBondContact O-N 2.93Å; A202-Q211 VanDerWaalsContact CB-CD 3.49Å; A202-Q211 HydrophobicContact CB-CG 4.32Å |
| 203 | A | 64.3 | Low | 68 | Low | 93 Ų | 93 | 64.6 Ų | 64.6 | 77% | 0.769 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64 | -28 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A199 A200 G205 | A199-A203 PolarHBondContact O-N 3.19Å; A200-A203 PolarHBondContact O-N 3.37Å; A203-G205 PolarHBondContact O-N 2.9Å |
| 204 | A | 68.4 | Low | 67.9 | Low | 63 Ų | 63 | 65 Ų | 65 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A200 A201 A202 L206 | A200-A204 WeakPolarHBondContact O-CB 3.47Å; A200-A204 PolarHBondContact O-N 3.39Å; A201-A204 PolarHBondContact O-N 3.49Å; A202-A204 PolarHBondContact O-N 3.32Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 HydrophobicContact CB-CG 4.43Å; A204-L206 PolarHBondContact O-N 3.11Å |
| 205 | G | 63.2 | Low | 67.7 | Low | 65 Ų | 65 | 67.3 Ų | 67.3 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 18.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A201 A202 A203 | A201-G205 PolarHBondContact O-N 3.39Å; A202-G205 PolarHBondContact O-N 2.93Å; A203-G205 PolarHBondContact O-N 2.9Å |
| 206 | L | 74.5 | Confident | 67.7 | Low | 74 Ų | 74 | 67.3 Ų | 67.3 | 39% | 0.387 | 43% | 0.425 | S | S | . | . | trans | -71.1 | 146.6 | 178.1 | -67.5 | 169.6 | 0 | 0 | 0 | 110.7 | A201 A204 V210 Q211 | A201-L206 HydrophobicContact CB-CD1 3.94Å; A201-L206 WeakPolarHBondContact O-CB 3.44Å; A201-L206 PolarHBondContact O-N 3.33Å; A201-L206 VanDerWaalsContact O-N 3.16Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 HydrophobicContact CB-CG 4.43Å; A204-L206 PolarHBondContact O-N 3.11Å; L206-V210 HydrophobicContact CB-CB 4.42Å; L206-V210 HydrophobicContact CB-CG1 4.32Å; L206-V210 HydrophobicContact CD1-CG1 4.16Å; L206-Q211 PolarHBondContact O-NE2 2.84Å | ||
| 207 | P | 67.5 | Low | 67.5 | Low | 72 Ų | 72 | 65.3 Ų | 65.3 | 47% | 0.468 | 42% | 0.418 | S | S | . | . | trans | -62 | 149 | 179.2 | 24.5 | -32.3 | 0 | 0 | 0 | 111.4 | Q209 V210 Q211 | P207-Q209 PolarHBondContact O-N 2.79Å; P207-Q209 VanDerWaalsContact O-N 3.08Å; P207-V210 HydrophobicContact CG-CB 4.3Å; P207-V210 HydrophobicContact CG-CG2 3.8Å; P207-V210 WeakPolarHBondContact O-CA 3.47Å; P207-V210 WeakPolarHBondContact O-CB 3.33Å; P207-V210 PolarHBondContact O-N 3.03Å; P207-Q211 PolarHBondContact O-N 3.39Å | ||
| 208 | L | 67.5 | Low | 67.2 | Low | 127 Ų | 127 | 65.3 Ų | 65.3 | 67% | 0.665 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -52.9 | -36 | -173 | -114.4 | 122 | 0 | 0 | 0 | 113.5 | V210 Q211 Q212 | L208-V210 VanDerWaalsContact C-N 3.27Å; L208-V210 PolarHBondContact O-N 2.79Å; L208-Q211 PolarHBondContact O-N 3.4Å; L208-Q212 WeakPolarHBondContact O-CB 3.39Å; L208-Q212 PolarHBondContact O-N 2.9Å |
| 209 | Q | 70 | Confident | 66.8 | Low | 154 Ų | 154 | 69 Ų | 69 | 72% | 0.72 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.1 | -34.6 | 177.3 | -65.1 | 132.2 | -27.2 | 0 | 0 | 112.4 | P207 S213 | P207-Q209 PolarHBondContact O-N 2.79Å; P207-Q209 VanDerWaalsContact O-N 3.08Å; Q209-S213 WeakPolarHBondContact O-CB 3.45Å; Q209-S213 PolarHBondContact O-N 2.9Å; Q209-S213 VanDerWaalsContact O-N 3.1Å |
| 210 | V | 67.2 | Low | 66.1 | Low | 61 Ų | 61 | 72.6 Ų | 72.6 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.3 | -37.9 | 178.6 | 177 | 0 | 0 | 0 | 0 | 110.7 | L206 P207 L208 Q212 S213 V214 | L206-V210 HydrophobicContact CB-CB 4.42Å; L206-V210 HydrophobicContact CB-CG1 4.32Å; L206-V210 HydrophobicContact CD1-CG1 4.16Å; P207-V210 HydrophobicContact CG-CB 4.3Å; P207-V210 HydrophobicContact CG-CG2 3.8Å; P207-V210 WeakPolarHBondContact O-CA 3.47Å; P207-V210 WeakPolarHBondContact O-CB 3.33Å; P207-V210 PolarHBondContact O-N 3.03Å; L208-V210 VanDerWaalsContact C-N 3.27Å; L208-V210 PolarHBondContact O-N 2.79Å; V210-Q212 VanDerWaalsContact C-N 3.31Å; V210-Q212 PolarHBondContact O-N 2.85Å; V210-S213 WeakPolarHBondContact O-CB 3.23Å; V210-S213 PolarHBondContact O-N 3.35Å; V210-V214 WeakPolarHBondContact O-CG2 3.45Å; V210-V214 PolarHBondContact O-N 2.89Å |
| 211 | Q | 64.1 | Low | 65.2 | Low | 39 Ų | 39 | 73 Ų | 73 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 174.5 | -58.3 | 171.3 | 7.7 | 0 | 0 | 111.6 | A201 A202 L206 P207 L208 V214 H215 | A201-Q211 HydrophobicContact CB-CB 4.36Å; A201-Q211 HydrophobicContact CB-CG 3.96Å; A202-Q211 VanDerWaalsContact CB-CD 3.49Å; A202-Q211 HydrophobicContact CB-CG 4.32Å; L206-Q211 PolarHBondContact O-NE2 2.84Å; P207-Q211 PolarHBondContact O-N 3.39Å; L208-Q211 PolarHBondContact O-N 3.4Å; Q211-V214 PolarHBondContact O-N 3.43Å; Q211-H215 PolarHBondContact O-N 3.49Å |
| 212 | Q | 68 | Low | 64.2 | Low | 123 Ų | 123 | 76.6 Ų | 76.6 | 58% | 0.575 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.6 | -35 | 179 | -141.8 | 165.2 | 10.9 | 0 | 0 | 111.7 | L208 V210 H215 N216 | L208-Q212 WeakPolarHBondContact O-CB 3.39Å; L208-Q212 PolarHBondContact O-N 2.9Å; V210-Q212 VanDerWaalsContact C-N 3.31Å; V210-Q212 PolarHBondContact O-N 2.85Å; Q212-H215 PolarHBondContact O-N 3.38Å; Q212-N216 PolarHBondContact O-N 3.47Å; Q212-N216 VanDerWaalsContact O-N 3.07Å; Q212-N216 PolarHBondContact O-ND2 2.64Å |
| 213 | S | 71.4 | Confident | 63.3 | Low | 76 Ų | 76 | 80.7 Ų | 80.7 | 53% | 0.531 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 171.6 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | Q209 V210 H215 N216 S217 | Q209-S213 WeakPolarHBondContact O-CB 3.45Å; Q209-S213 PolarHBondContact O-N 2.9Å; Q209-S213 VanDerWaalsContact O-N 3.1Å; V210-S213 WeakPolarHBondContact O-CB 3.23Å; V210-S213 PolarHBondContact O-N 3.35Å; S213-H215 PolarHBondContact O-N 3.47Å; S213-N216 PolarHBondContact O-N 3Å; S213-S217 WeakPolarHBondContact O-CB 3.22Å; S213-S217 PolarHBondContact O-N 3.03Å |
| 214 | V | 67.5 | Low | 62.2 | Low | 45 Ų | 45 | 85.2 Ų | 85.2 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111 | A197 V210 Q211 N216 S217 V218 | A197-V214 HydrophobicContact CB-CG1 3.7Å; V210-V214 WeakPolarHBondContact O-CG2 3.45Å; V210-V214 PolarHBondContact O-N 2.89Å; Q211-V214 PolarHBondContact O-N 3.43Å; V214-N216 PolarHBondContact O-N 3.43Å; V214-S217 PolarHBondContact O-N 3.29Å; V214-S217 PolarHBondContact O-OG 3.25Å; V214-V218 WeakPolarHBondContact O-CG2 3.47Å; V214-V218 PolarHBondContact O-N 3.34Å |
| 215 | H | 67.2 | Low | 60.6 | Low | 47 Ų | 47 | 86.5 Ų | 86.5 | 22% | 0.218 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -55.2 | -50.1 | 175 | -166 | 69.2 | 0 | 0 | 0 | 111.9 | A194 V195 A198 Q211 Q212 S213 S217 V218 Y219 | A194-H215 PolarHBondContact O-ND1 3.4Å; V195-H215 PolarHBondContact N-CE1 2.99Å; V195-H215 PolarHBondContact N-ND1 3.43Å; A198-H215 HydrophobicContact CB-CB 3.93Å; Q211-H215 PolarHBondContact O-N 3.49Å; Q212-H215 PolarHBondContact O-N 3.38Å; S213-H215 PolarHBondContact O-N 3.47Å; H215-S217 VanDerWaalsContact C-N 3.33Å; H215-S217 PolarHBondContact O-N 3.09Å; H215-V218 PolarHBondContact O-N 2.86Å; H215-Y219 AromaticContact CD2-CE2 3.72Å; H215-Y219 AromaticContact CE1-CE2 3.88Å; H215-Y219 AromaticContact NE2-CE2 3.44Å; H215-Y219 WeakPolarHBondContact NE2-CE2 3.22Å; H215-Y219 AromaticContact NE2-CZ 3.91Å; H215-Y219 PolarHBondContact NE2-OH 2.97Å; H215-Y219 WeakPolarHBondContact O-CD2 3.37Å; H215-Y219 WeakPolarHBondContact O-CE2 3.25Å |
| 216 | N | 69.2 | Low | 59.4 | Low | 88 Ų | 88 | 87.8 Ų | 87.8 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.1 | -27.1 | -178.2 | -70.8 | -18.1 | 0 | 0 | 0 | 113.2 | Q212 S213 V214 V218 Y219 N220 | Q212-N216 PolarHBondContact O-N 3.47Å; Q212-N216 VanDerWaalsContact O-N 3.07Å; Q212-N216 PolarHBondContact O-ND2 2.64Å; S213-N216 PolarHBondContact O-N 3Å; V214-N216 PolarHBondContact O-N 3.43Å; N216-V218 VanDerWaalsContact C-N 3.35Å; N216-Y219 PolarHBondContact O-N 3.44Å; N216-N220 PolarHBondContact O-ND2 3.08Å |
| 217 | S | 66.9 | Low | 58 | Low | 45 Ų | 45 | 87.3 Ų | 87.3 | 32% | 0.315 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 177.5 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | S213 V214 H215 Y219 N220 T221 | S213-S217 WeakPolarHBondContact O-CB 3.22Å; S213-S217 PolarHBondContact O-N 3.03Å; V214-S217 PolarHBondContact O-N 3.29Å; V214-S217 PolarHBondContact O-OG 3.25Å; H215-S217 VanDerWaalsContact C-N 3.33Å; H215-S217 PolarHBondContact O-N 3.09Å; S217-Y219 VanDerWaalsContact C-N 3.26Å; S217-Y219 PolarHBondContact O-N 3.43Å; S217-N220 PolarHBondContact O-N 2.81Å; S217-T221 WeakPolarHBondContact O-CG2 3.3Å; S217-T221 PolarHBondContact O-N 3.45Å |
| 218 | V | 64.1 | Low | 56.8 | Low | 31 Ų | 31 | 91.8 Ų | 91.8 | 19% | 0.188 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -67.6 | -25.9 | -178.8 | 176 | 0 | 0 | 0 | 0 | 112.5 | A193 A194 A197 V214 H215 N216 T221 | A193-V218 HydrophobicContact CB-CG1 4.23Å; A194-V218 HydrophobicContact CB-CB 3.74Å; A194-V218 HydrophobicContact CB-CG1 3.77Å; A194-V218 HydrophobicContact CB-CG2 4.44Å; A197-V218 HydrophobicContact CB-CG2 4.2Å; V214-V218 WeakPolarHBondContact O-CG2 3.47Å; V214-V218 PolarHBondContact O-N 3.34Å; H215-V218 PolarHBondContact O-N 2.86Å; N216-V218 VanDerWaalsContact C-N 3.35Å; V218-T221 PolarHBondContact O-OG1 3.09Å |
| 219 | Y | 56.8 | Low | 55.4 | Low | 95 Ų | 95 | 88.7 Ų | 88.7 | 37% | 0.373 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -83.3 | -17 | 173.9 | -61.4 | -79.2 | 0 | 0 | 0 | 113.7 | S191 A194 H215 N216 S217 | S191-Y219 VanDerWaalsContact CA-OH 3.25Å; S191-Y219 WeakPolarHBondContact CA-OH 3.3Å; S191-Y219 WeakPolarHBondContact CB-OH 3.32Å; A194-Y219 HydrophobicContact CB-CD2 4.02Å; A194-Y219 HydrophobicContact CB-CE1 4.32Å; A194-Y219 HydrophobicContact CB-CE2 3.34Å; H215-Y219 AromaticContact CD2-CE2 3.72Å; H215-Y219 AromaticContact CE1-CE2 3.88Å; H215-Y219 AromaticContact NE2-CE2 3.44Å; H215-Y219 WeakPolarHBondContact NE2-CE2 3.22Å; H215-Y219 AromaticContact NE2-CZ 3.91Å; H215-Y219 PolarHBondContact NE2-OH 2.97Å; H215-Y219 WeakPolarHBondContact O-CD2 3.37Å; H215-Y219 WeakPolarHBondContact O-CE2 3.25Å; N216-Y219 PolarHBondContact O-N 3.44Å; S217-Y219 VanDerWaalsContact C-N 3.26Å; S217-Y219 PolarHBondContact O-N 3.43Å |
| 220 | N | 52.3 | Low | 54 | Low | 134 Ų | 134 | 83.9 Ų | 83.9 | 72% | 0.717 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -98.7 | -11.5 | -179 | -78.6 | -66 | 0 | 0 | 0 | 113.6 | N216 S217 S222 | N216-N220 PolarHBondContact O-ND2 3.08Å; S217-N220 PolarHBondContact O-N 2.81Å; N220-S222 PolarHBondContact O-N 3.29Å |
| 221 | T | 50 | Low | 52.8 | Low | 48 Ų | 48 | 85.8 Ų | 85.8 | 29% | 0.294 | 47% | 0.474 | S | S | . | . | trans | -83 | 105.5 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | S217 V218 T227 | S217-T221 WeakPolarHBondContact O-CG2 3.3Å; S217-T221 PolarHBondContact O-N 3.45Å; V218-T221 PolarHBondContact O-OG1 3.09Å; T221-T227 WeakPolarHBondContact CG2-OG1 3.35Å | ||
| 222 | S | 46.3 | Very low | 51.7 | Low | 84 Ų | 84 | 87 Ų | 87 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | trans | -67.2 | 156 | 156.6 | 74.1 | 0 | 0 | 0 | 0 | 109.2 | N220 F224 | N220-S222 PolarHBondContact O-N 3.29Å; S222-F224 PolarHBondContact O-N 3.18Å | ||
| 223 | T | 43.7 | Very low | 50.4 | Low | 131 Ų | 131 | 82.9 Ų | 82.9 | 80% | 0.804 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -57.2 | 4.2 | -166.8 | -47.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 224 | F | 40.7 | Very low | 49.1 | Very low | 187 Ų | 187 | 84.6 Ų | 84.6 | 82% | 0.82 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -136 | 79.7 | 174.3 | -75.3 | -88.8 | 0 | 0 | 0 | 110.4 | S222 | S222-F224 PolarHBondContact O-N 3.18Š|
| 225 | D | 33.9 | Very low | 48 | Very low | 91 Ų | 91 | 86.6 Ų | 86.6 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | trans | -143.8 | 151 | 169 | -108.1 | -33.4 | 0 | 0 | 0 | 114.5 | T227 Y228 | D225-T227 PolarHBondContact O-N 2.74Å; D225-Y228 PolarHBondContact O-N 3.3Å | ||
| 226 | P | 39.1 | Very low | 46.9 | Very low | 91 Ų | 91 | 90.2 Ų | 90.2 | 59% | 0.591 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -5.4 | -167.4 | -4.7 | 8.9 | 0 | 0 | 0 | 116.5 | Y228 A229 A230 | P226-Y228 VanDerWaalsContact C-N 3.26Å; P226-Y228 PolarHBondContact O-N 3.14Å; P226-A229 CarbonylContact O-C 3.52Å; P226-A229 WeakPolarHBondContact O-CA 3.25Å; P226-A229 WeakPolarHBondContact O-CB 3.47Å; P226-A229 PolarHBondContact O-N 3.1Å; P226-A229 VanDerWaalsContact O-N 3.1Å; P226-A230 PolarHBondContact O-N 3.32Å |
| 227 | T | 44.8 | Very low | 45.5 | Very low | 65 Ų | 65 | 87.8 Ų | 87.8 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -27.8 | 178.4 | 9.8 | 0 | 0 | 0 | 0 | 112.2 | T221 D225 A230 L231 | T221-T227 WeakPolarHBondContact CG2-OG1 3.35Å; D225-T227 PolarHBondContact O-N 2.74Å; T227-A230 PolarHBondContact O-N 3.1Å; T227-L231 WeakPolarHBondContact O-CB 3.34Å; T227-L231 WeakPolarHBondContact O-CG 3.47Å; T227-L231 PolarHBondContact O-N 2.99Å |
| 228 | Y | 41 | Very low | 44.3 | Very low | 165 Ų | 165 | 90.5 Ų | 90.5 | 65% | 0.647 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.8 | -35.7 | 170.1 | -170.8 | -97.2 | 0 | 0 | 0 | 112 | D225 P226 T232 | D225-Y228 PolarHBondContact O-N 3.3Å; P226-Y228 VanDerWaalsContact C-N 3.26Å; P226-Y228 PolarHBondContact O-N 3.14Å; Y228-T232 HydrophobicContact CD1-CG2 4.48Å; Y228-T232 HydrophobicContact CE1-CG2 4.22Å; Y228-T232 WeakPolarHBondContact O-CB 3.34Å; Y228-T232 WeakPolarHBondContact O-CG2 3.44Å; Y228-T232 PolarHBondContact O-N 2.8Å; Y228-T232 PolarHBondContact O-OG1 3.09Å |
| 229 | A | 38.4 | Very low | 43.5 | Very low | 63 Ų | 63 | 96.6 Ų | 96.6 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.7 | -33.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P226 T232 G233 | P226-A229 CarbonylContact O-C 3.52Å; P226-A229 WeakPolarHBondContact O-CA 3.25Å; P226-A229 WeakPolarHBondContact O-CB 3.47Å; P226-A229 PolarHBondContact O-N 3.1Å; P226-A229 VanDerWaalsContact O-N 3.1Å; A229-T232 VanDerWaalsContact CA-OG1 3.28Å; A229-T232 WeakPolarHBondContact CA-OG1 3.48Å; A229-T232 PolarHBondContact O-OG1 3.21Å; A229-T232 VanDerWaalsContact O-OG1 3.04Å; A229-G233 PolarHBondContact O-N 3.25Å |
| 230 | A | 40.4 | Very low | 42.9 | Very low | 53 Ų | 53 | 98.8 Ų | 98.8 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.3 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P226 T227 G233 I234 | P226-A230 PolarHBondContact O-N 3.32Å; T227-A230 PolarHBondContact O-N 3.1Å; A230-G233 PolarHBondContact O-N 2.87Å; A230-I234 VanDerWaalsContact O-CG1 3.24Å; A230-I234 WeakPolarHBondContact O-CG1 3.32Å; A230-I234 PolarHBondContact O-N 3.34Å |
| 231 | L | 43.1 | Very low | 42.8 | Very low | 100 Ų | 100 | 97.5 Ų | 97.5 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.8 | -32.8 | 176.5 | -80.4 | 160.9 | 0 | 0 | 0 | 112.7 | T227 | T227-L231 WeakPolarHBondContact O-CB 3.34Å; T227-L231 WeakPolarHBondContact O-CG 3.47Å; T227-L231 PolarHBondContact O-N 2.99Å |
| 232 | T | 41.1 | Very low | 42.3 | Very low | 65 Ų | 65 | 98 Ų | 98 | 40% | 0.399 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73 | -37.5 | 169.8 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | Y228 A229 I234 T235 | Y228-T232 HydrophobicContact CD1-CG2 4.48Å; Y228-T232 HydrophobicContact CE1-CG2 4.22Å; Y228-T232 WeakPolarHBondContact O-CB 3.34Å; Y228-T232 WeakPolarHBondContact O-CG2 3.44Å; Y228-T232 PolarHBondContact O-N 2.8Å; Y228-T232 PolarHBondContact O-OG1 3.09Å; A229-T232 VanDerWaalsContact CA-OG1 3.28Å; A229-T232 WeakPolarHBondContact CA-OG1 3.48Å; A229-T232 PolarHBondContact O-OG1 3.21Å; A229-T232 VanDerWaalsContact O-OG1 3.04Å; T232-I234 VanDerWaalsContact C-N 3.35Å; T232-I234 PolarHBondContact O-N 2.82Å; T232-T235 PolarHBondContact O-N 3.34Å; T232-T235 VanDerWaalsContact O-N 3.14Å; T232-T235 PolarHBondContact O-OG1 3.3Å |
| 233 | G | 39.8 | Very low | 42 | Very low | 36 Ų | 36 | 99.7 Ų | 99.7 | 37% | 0.371 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.7 | -33 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A229 A230 T235 T236 G237 | A229-G233 PolarHBondContact O-N 3.25Å; A230-G233 PolarHBondContact O-N 2.87Å; G233-T235 VanDerWaalsContact C-N 3.25Å; G233-T235 PolarHBondContact O-N 2.94Å; G233-T236 PolarHBondContact O-N 2.9Å; G233-T236 PolarHBondContact O-OG1 3.38Å; G233-G237 PolarHBondContact O-N 3.25Å |
| 234 | I | 44.7 | Very low | 42 | Very low | 113 Ų | 113 | 98.5 Ų | 98.5 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65 | -29.1 | 174 | -69.6 | 162.3 | 0 | 0 | 0 | 111.6 | A230 T232 T236 G237 | A230-I234 VanDerWaalsContact O-CG1 3.24Å; A230-I234 WeakPolarHBondContact O-CG1 3.32Å; A230-I234 PolarHBondContact O-N 3.34Å; T232-I234 VanDerWaalsContact C-N 3.35Å; T232-I234 PolarHBondContact O-N 2.82Å; I234-T236 PolarHBondContact O-N 3.03Å; I234-G237 PolarHBondContact O-N 3.07Å |
| 235 | T | 44.7 | Very low | 42.4 | Very low | 86 Ų | 86 | 93.5 Ų | 93.5 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.9 | -15.5 | 176.9 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | T232 G233 | T232-T235 PolarHBondContact O-N 3.34Å; T232-T235 VanDerWaalsContact O-N 3.14Å; T232-T235 PolarHBondContact O-OG1 3.3Å; G233-T235 VanDerWaalsContact C-N 3.25Å; G233-T235 PolarHBondContact O-N 2.94Å |
| 236 | T | 43.2 | Very low | 42.8 | Very low | 123 Ų | 123 | 94.3 Ų | 94.3 | 76% | 0.755 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -4.6 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | G233 I234 | G233-T236 PolarHBondContact O-N 2.9Å; G233-T236 PolarHBondContact O-OG1 3.38Å; I234-T236 PolarHBondContact O-N 3.03Å |
| 237 | G | 40.5 | Very low | 43.1 | Very low | 37 Ų | 37 | 95 Ų | 95 | 38% | 0.381 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -96.2 | 131 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G233 I234 | G233-G237 PolarHBondContact O-N 3.25Å; I234-G237 PolarHBondContact O-N 3.07Å |
| 238 | T | 42.3 | Very low | 42.9 | Very low | 102 Ų | 102 | 95 Ų | 95 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 134.8 | 163.1 | 44 | 0 | 0 | 0 | 0 | 109.7 | ||
| 239 | R | 46.6 | Very low | 43 | Very low | 160 Ų | 160 | 91.7 Ų | 91.7 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 156.1 | 172.5 | -163.7 | 176.8 | 179.2 | 149.9 | 7.4 | 109.3 | D241 G242 N243 | R239-D241 WeakPolarHBondContact CD-OD2 3.41Å; R239-D241 IonicContact CZ-OD2 3.02Å; R239-D241 IonicContact NE-OD2 3.1Å; R239-D241 PolarHBondContact NE-OD2 3.38Å; R239-D241 VanDerWaalsContact NE-OD2 3.09Å; R239-D241 PolarHBondContact O-N 2.86Å; R239-G242 PolarHBondContact O-N 3.03Å; R239-N243 PolarHBondContact N-O 3.48Å |
| 240 | T | 44.9 | Very low | 43.1 | Very low | 141 Ų | 141 | 95.7 Ų | 95.7 | 87% | 0.865 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -4.9 | 175.5 | 49 | 0 | 0 | 0 | 0 | 114.9 | ||
| 241 | D | 48.6 | Very low | 43.2 | Very low | 107 Ų | 107 | 95.2 Ų | 95.2 | 57% | 0.572 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 8.9 | -176.2 | -34.3 | -32.5 | 0 | 0 | 0 | 111.3 | R239 N243 | R239-D241 WeakPolarHBondContact CD-OD2 3.41Å; R239-D241 IonicContact CZ-OD2 3.02Å; R239-D241 IonicContact NE-OD2 3.1Å; R239-D241 PolarHBondContact NE-OD2 3.38Å; R239-D241 VanDerWaalsContact NE-OD2 3.09Å; R239-D241 PolarHBondContact O-N 2.86Å; D241-N243 PolarHBondContact O-N 3.11Å |
| 242 | G | 39.5 | Very low | 43 | Very low | 57 Ų | 57 | 93.3 Ų | 93.3 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 83.2 | 0.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | R239 | R239-G242 PolarHBondContact O-N 3.03Š|
| 243 | N | 41.2 | Very low | 43 | Very low | 121 Ų | 121 | 94.5 Ų | 94.5 | 65% | 0.647 | 57% | 0.574 | S | S | * | * | trans | -104.8 | 144.2 | 177.5 | -79.4 | -42.3 | 0 | 0 | 0 | 113.2 | R239 D241 | R239-N243 PolarHBondContact N-O 3.48Å; D241-N243 PolarHBondContact O-N 3.11Å | ||
| 244 | P | 44.1 | Very low | 42.8 | Very low | 106 Ų | 106 | 94.8 Ų | 94.8 | 69% | 0.688 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 143.1 | -179.7 | 29.5 | -33.7 | 0 | 0 | 0 | 112.3 | ||
| 245 | V | 48.5 | Very low | 42.6 | Very low | 81 Ų | 81 | 92.8 Ų | 92.8 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 125.9 | 177.1 | -168.8 | 0 | 0 | 0 | 0 | 109.1 | P247 | V245-P247 VanDerWaalsContact O-CD 3.29Å; V245-P247 WeakPolarHBondContact O-CD 3.42Å |
| 246 | N | 41.7 | Very low | 42.4 | Very low | 108 Ų | 108 | 96.6 Ų | 96.6 | 58% | 0.578 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 116.8 | -175 | -165.3 | -23.6 | 0 | 0 | 0 | 111.3 | A248 V249 | N246-A248 PolarHBondContact O-N 3.15Å; N246-A248 WeakPolarHBondContact OD1-CB 3.29Å; N246-A248 PolarHBondContact OD1-N 3.09Å; N246-V249 PolarHBondContact O-N 3.2Å |
| 247 | P | 47.1 | Very low | 42.3 | Very low | 106 Ų | 106 | 94 Ų | 94 | 69% | 0.688 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -16.2 | -177.8 | -21.2 | 32.6 | 0 | 0 | 0 | 114.5 | V245 V249 G251 | V245-P247 VanDerWaalsContact O-CD 3.29Å; V245-P247 WeakPolarHBondContact O-CD 3.42Å; P247-V249 VanDerWaalsContact C-N 3.33Å; P247-V249 PolarHBondContact O-N 3.37Å; P247-G251 PolarHBondContact O-N 3.48Å |
| 248 | A | 39.2 | Very low | 42.3 | Very low | 65 Ų | 65 | 98.1 Ų | 98.1 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.9 | -27.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | N246 A252 | N246-A248 PolarHBondContact O-N 3.15Å; N246-A248 WeakPolarHBondContact OD1-CB 3.29Å; N246-A248 PolarHBondContact OD1-N 3.09Å; A248-A252 PolarHBondContact O-N 3.48Å |
| 249 | V | 43.5 | Very low | 42.1 | Very low | 95 Ų | 95 | 95.3 Ų | 95.3 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.3 | -35.1 | -177.4 | -177 | 0 | 0 | 0 | 0 | 111.6 | N246 P247 | N246-V249 PolarHBondContact O-N 3.2Å; P247-V249 VanDerWaalsContact C-N 3.33Å; P247-V249 PolarHBondContact O-N 3.37Å |
| 250 | Y | 40.2 | Very low | 41.9 | Very low | 147 Ų | 147 | 91 Ų | 91 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -76.9 | -32.9 | 176.3 | -105 | -90.8 | 0 | 0 | 0 | 112.7 | A252 L253 A254 | Y250-A252 PolarHBondContact O-N 3.36Å; Y250-L253 PolarHBondContact O-N 3.11Å; Y250-A254 WeakPolarHBondContact O-CB 3.48Å; Y250-A254 PolarHBondContact O-N 3.01Å |
| 251 | G | 42.8 | Very low | 41.7 | Very low | 44 Ų | 44 | 90.8 Ų | 90.8 | 45% | 0.454 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P247 S255 | P247-G251 PolarHBondContact O-N 3.48Å; G251-S255 WeakPolarHBondContact O-CB 3.47Å; G251-S255 PolarHBondContact O-N 3.37Å |
| 252 | A | 39 | Very low | 41.4 | Very low | 59 Ų | 59 | 88.6 Ų | 88.6 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A248 Y250 | A248-A252 PolarHBondContact O-N 3.48Å; Y250-A252 PolarHBondContact O-N 3.36Å |
| 253 | L | 41.3 | Very low | 41.3 | Very low | 90 Ų | 90 | 87.7 Ų | 87.7 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -80 | -34.6 | 178.2 | -72 | 162.2 | 0 | 0 | 0 | 112.4 | Y250 S255 Q256 | Y250-L253 PolarHBondContact O-N 3.11Å; L253-S255 VanDerWaalsContact C-N 3.33Å; L253-S255 PolarHBondContact O-N 3.48Å; L253-Q256 PolarHBondContact O-N 3.5Å |
| 254 | A | 35.9 | Very low | 41.2 | Very low | 43 Ų | 43 | 87.5 Ų | 87.5 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y250 Q256 V257 Y258 | Y250-A254 WeakPolarHBondContact O-CB 3.48Å; Y250-A254 PolarHBondContact O-N 3.01Å; A254-Q256 VanDerWaalsContact C-N 3.27Å; A254-Q256 PolarHBondContact O-N 3.34Å; A254-V257 PolarHBondContact O-N 3.4Å; A254-Y258 PolarHBondContact O-N 2.88Å |
| 255 | S | 40.1 | Very low | 41 | Very low | 71 Ų | 71 | 89.8 Ų | 89.8 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -25.6 | 176.9 | 177.5 | 0 | 0 | 0 | 0 | 113.8 | G251 L253 | G251-S255 WeakPolarHBondContact O-CB 3.47Å; G251-S255 PolarHBondContact O-N 3.37Å; L253-S255 VanDerWaalsContact C-N 3.33Å; L253-S255 PolarHBondContact O-N 3.48Å |
| 256 | Q | 40.3 | Very low | 40.6 | Very low | 165 Ų | 165 | 90.1 Ų | 90.1 | 77% | 0.771 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -88.9 | -17.1 | -176.6 | -67.4 | -173.5 | -2.2 | 0 | 0 | 113.3 | L253 A254 | L253-Q256 PolarHBondContact O-N 3.5Å; A254-Q256 VanDerWaalsContact C-N 3.27Å; A254-Q256 PolarHBondContact O-N 3.34Å |
| 257 | V | 41.3 | Very low | 40.4 | Very low | 69 Ų | 69 | 94.3 Ų | 94.3 | 42% | 0.418 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -104.9 | -25.4 | -173.2 | -179.5 | 0 | 0 | 0 | 0 | 113.7 | L196 A254 | L196-V257 HydrophobicContact CD2-CG2 4.01Å; A254-V257 PolarHBondContact O-N 3.4Å |
| 258 | Y | 39.8 | Very low | 40 | Very low | 123 Ų | 123 | 91.3 Ų | 91.3 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -115.3 | -2.1 | -172.3 | -73.3 | -88.3 | 0 | 0 | 0 | 116.6 | Y189 A254 V262 | Y189-Y258 AromaticContact CZ-CE1 3.96Å; Y189-Y258 WeakPolarHBondContact OH-CE1 3.09Å; Y189-Y258 PolarHBondContact OH-OH 3.35Å; A254-Y258 PolarHBondContact O-N 2.88Å; Y258-V262 HydrophobicContact CD1-CG1 4.36Å; Y258-V262 HydrophobicContact CD1-CG2 4.49Å; Y258-V262 HydrophobicContact CG-CG1 4.44Å |
| 259 | G | 38.4 | Very low | 40 | Very low | 44 Ų | 44 | 92 Ų | 92 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | trans | 66 | 156.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N261 V262 | G259-N261 PolarHBondContact O-N 2.97Å; G259-V262 PolarHBondContact O-N 3.42Å | ||
| 260 | A | 41.6 | Very low | 39.9 | Very low | 69 Ų | 69 | 92.2 Ų | 92.2 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.6 | -10.4 | -165 | 0 | 0 | 0 | 0 | 0 | 116.7 | N264 | A260-N264 PolarHBondContact O-ND2 2.98Å |
| 261 | N | 41.3 | Very low | 39.8 | Very low | 136 Ų | 136 | 88.4 Ų | 88.4 | 73% | 0.727 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -90.9 | -23.9 | -173.4 | -67.4 | -4.6 | 0 | 0 | 0 | 114 | G259 | G259-N261 PolarHBondContact O-N 2.97Å |
| 262 | V | 42.4 | Very low | 39.5 | Very low | 61 Ų | 61 | 89.2 Ų | 89.2 | 37% | 0.37 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -86.5 | -33.7 | 179.2 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | Y258 G259 N264 Q265 L266 | Y258-V262 HydrophobicContact CD1-CG1 4.36Å; Y258-V262 HydrophobicContact CD1-CG2 4.49Å; Y258-V262 HydrophobicContact CG-CG1 4.44Å; G259-V262 PolarHBondContact O-N 3.42Å; V262-N264 VanDerWaalsContact C-N 3.29Å; V262-N264 PolarHBondContact O-N 3.46Å; V262-Q265 PolarHBondContact O-N 3.3Å; V262-L266 HydrophobicContact CG1-CD1 4.39Å; V262-L266 PolarHBondContact O-N 3.32Å |
| 263 | A | 37.4 | Very low | 39.4 | Very low | 38 Ų | 38 | 93.3 Ų | 93.3 | 31% | 0.314 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q265 L266 Y267 | A263-Q265 VanDerWaalsContact C-N 3.34Å; A263-Q265 PolarHBondContact O-N 3.41Å; A263-L266 PolarHBondContact O-N 2.91Å; A263-Y267 PolarHBondContact O-N 3.26Å; A263-Y267 VanDerWaalsContact O-N 3.11Å |
| 264 | N | 40.2 | Very low | 39 | Very low | 118 Ų | 118 | 93 Ų | 93 | 63% | 0.631 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.3 | -25.7 | 177.6 | -80.1 | -49.8 | 0 | 0 | 0 | 113.5 | A260 V262 G268 | A260-N264 PolarHBondContact O-ND2 2.98Å; V262-N264 VanDerWaalsContact C-N 3.29Å; V262-N264 PolarHBondContact O-N 3.46Å; N264-G268 PolarHBondContact O-N 3.33Å |
| 265 | Q | 39.2 | Very low | 39 | Very low | 153 Ų | 153 | 96.1 Ų | 96.1 | 72% | 0.715 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -78 | -31 | 174.1 | -69.4 | -157.5 | -21.5 | 0 | 0 | 112.8 | V262 A263 T269 | V262-Q265 PolarHBondContact O-N 3.3Å; A263-Q265 VanDerWaalsContact C-N 3.34Å; A263-Q265 PolarHBondContact O-N 3.41Å; Q265-T269 PolarHBondContact O-OG1 3.4Å |
| 266 | L | 39.2 | Very low | 38.6 | Very low | 88 Ų | 88 | 99.6 Ų | 99.6 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.7 | -33 | 175.4 | -80.5 | 156.1 | 0 | 0 | 0 | 112.8 | V262 A263 T269 V270 | V262-L266 HydrophobicContact CG1-CD1 4.39Å; V262-L266 PolarHBondContact O-N 3.32Å; A263-L266 PolarHBondContact O-N 2.91Å; L266-T269 PolarHBondContact O-OG1 3.01Å; L266-T269 VanDerWaalsContact O-OG1 3.12Å; L266-V270 WeakPolarHBondContact O-CG2 3.27Å |
| 267 | Y | 38.6 | Very low | 38.3 | Very low | 197 Ų | 197 | 97.8 Ų | 97.8 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73 | -30.5 | 175.1 | -128.2 | -90.9 | 0 | 0 | 0 | 112.7 | A263 A271 | A263-Y267 PolarHBondContact O-N 3.26Å; A263-Y267 VanDerWaalsContact O-N 3.11Å; Y267-A271 PolarHBondContact O-N 2.95Å |
| 268 | G | 38.1 | Very low | 37.8 | Very low | 43 Ų | 43 | 99.8 Ų | 99.8 | 44% | 0.443 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.5 | -34.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | N264 S272 | N264-G268 PolarHBondContact O-N 3.33Å; G268-S272 PolarHBondContact O-OG 3.48Å |
| 269 | T | 40 | Very low | 37.2 | Very low | 78 Ų | 78 | 97.8 Ų | 97.8 | 48% | 0.479 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.7 | -30.5 | -178.2 | 48 | 0 | 0 | 0 | 0 | 113.4 | Q265 L266 S272 Q273 | Q265-T269 PolarHBondContact O-OG1 3.4Å; L266-T269 PolarHBondContact O-OG1 3.01Å; L266-T269 VanDerWaalsContact O-OG1 3.12Å; T269-S272 WeakPolarHBondContact CA-OG 3.16Å; T269-S272 PolarHBondContact O-OG 2.77Å; T269-Q273 PolarHBondContact O-N 3.09Å |
| 270 | V | 41.1 | Very low | 36.6 | Very low | 100 Ų | 100 | 100.1 Ų | 100.1 | 61% | 0.606 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -76 | -34.9 | 177.5 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | L266 S272 Q273 A274 | L266-V270 WeakPolarHBondContact O-CG2 3.27Å; V270-S272 VanDerWaalsContact C-N 3.28Å; V270-S272 PolarHBondContact O-N 3.16Å; V270-Q273 PolarHBondContact O-N 3.49Å; V270-A274 PolarHBondContact O-N 2.98Å |
| 271 | A | 37.4 | Very low | 35.9 | Very low | 67 Ų | 67 | 103.6 Ų | 103.6 | 55% | 0.554 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.6 | -33.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y267 T275 | Y267-A271 PolarHBondContact O-N 2.95Å; A271-T275 PolarHBondContact O-OG1 3.36Å |
| 272 | S | 36.6 | Very low | 35.4 | Very low | 61 Ų | 61 | 105.3 Ų | 105.3 | 43% | 0.427 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -82.2 | -21.1 | 176.9 | 41 | 0 | 0 | 0 | 0 | 114.8 | G268 T269 V270 T275 | G268-S272 PolarHBondContact O-OG 3.48Å; T269-S272 WeakPolarHBondContact CA-OG 3.16Å; T269-S272 PolarHBondContact O-OG 2.77Å; V270-S272 VanDerWaalsContact C-N 3.28Å; V270-S272 PolarHBondContact O-N 3.16Å; S272-T275 PolarHBondContact O-OG1 2.72Å |
| 273 | Q | 36.7 | Very low | 34.5 | Very low | 145 Ų | 145 | 108.8 Ų | 108.8 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83.8 | -27.1 | 174 | -84.2 | -173.2 | 4.4 | 0 | 0 | 113 | T269 V270 T275 L276 | T269-Q273 PolarHBondContact O-N 3.09Å; V270-Q273 PolarHBondContact O-N 3.49Å; Q273-T275 PolarHBondContact O-N 2.64Å; Q273-L276 PolarHBondContact O-N 3.45Å |
| 274 | A | 34.3 | Very low | 33.8 | Very low | 84 Ų | 84 | 117.6 Ų | 117.6 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -18.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V270 | V270-A274 PolarHBondContact O-N 2.98Š|
| 275 | T | 35 | Very low | 33 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -3.6 | 179.8 | -0.9 | 0 | 0 | 0 | 0 | 114.2 | A271 S272 Q273 | A271-T275 PolarHBondContact O-OG1 3.36Å; S272-T275 PolarHBondContact O-OG1 2.72Å; Q273-T275 PolarHBondContact O-N 2.64Å |
| 276 | L | 31.6 | Very low | 32.4 | Very low | 144 Ų | 144 | 113.8 Ų | 113.8 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -108.1 | -0 | -175 | -76.2 | 164.6 | 0 | 0 | 0 | 114.8 | Q273 | Q273-L276 PolarHBondContact O-N 3.45Š|
| 277 | T | 33.3 | Very low | 31.6 | Very low | 128 Ų | 128 | 116 Ų | 116 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -111.4 | 61.4 | 177.1 | -37.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 278 | S | 31.5 | Very low | 30.9 | Very low | 111 Ų | 111 | 112.7 Ų | 112.7 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -160.8 | 82.5 | 154.2 | 38.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 279 | G | 27.6 | Very low | 30.9 | Very low | 81 Ų | 81 | 116 Ų | 116 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | -70.3 | 133.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 280 | A | 25.9 | Very low | 30.3 | Very low | 93 Ų | 93 | 119.7 Ų | 119.7 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | 127.7 | 105.1 | 141.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 281 | T | 26.8 | Very low | 29.5 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | 173.3 | 137 | 98.5 | -53.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 282 | Q | 30.3 | Very low | 28.9 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -65.8 | 156 | -178.3 | -68 | -86.3 | -7.3 | 0 | 0 | 113.9 | ||||
| 283 | V | 24.8 | Very low | 28.3 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | 159.6 | 125.6 | 125.3 | 168.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 284 | Y | 22.3 | Very low | 27.8 | Very low | 223 Ų | 223 | 134.1 Ų | 134.1 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | 5.6 | 140.7 | 159.4 | -99.7 | -97.4 | 0 | 0 | 0 | 125.4 | ||||
| 285 | S | 22.4 | Very low | 27.4 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | 89.2 | 115.4 | 131.7 | -138.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 286 | S | 26.2 | Very low | 27 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | 56.1 | 140.6 | 128.5 | 70.8 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 287 | V | 22.1 | Very low | 26.8 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 91.2 | 133.9 | 152.1 | -155.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 288 | T | 24.2 | Very low | 26.9 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -67.7 | -173.2 | 167.9 | 43.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 289 | P | 38.7 | Very low | 27.2 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -123 | 176 | -45.8 | 33.1 | -14.6 | 0 | 0 | 0 | 113.5 | ||||
| 290 | N | 28.5 | Very low | 27.6 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 37.1 | 128.1 | 159.6 | -75 | -16.7 | 0 | 0 | 0 | 122 | ||||
| 291 | I | 24.1 | Very low | 28.1 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -172.8 | 147.3 | 136.6 | -95.1 | 150.5 | 0 | 0 | 0 | 111.5 | ||||
| 292 | Y | 23.1 | Very low | 28.4 | Very low | 239 Ų | 239 | 128.5 Ų | 128.5 | 94% | 0.937 | 77% | 0.771 | S | S | * | * | trans | -69.2 | 149.5 | -173 | -119.2 | -104.9 | 0 | 0 | 0 | 116.4 | ||||
| 293 | G | 25.6 | Very low | 28.5 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | 128.9 | 111.1 | 136.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 294 | Q | 25.5 | Very low | 28.9 | Very low | 196 Ų | 196 | 120.9 Ų | 120.9 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | 71.9 | 136.1 | 139.7 | -79.9 | -168.4 | -3.1 | 0 | 0 | 119.5 | ||||
| 295 | V | 25.2 | Very low | 29.5 | Very low | 131 Ų | 131 | 114 Ų | 114 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | cis | -157.4 | 155.2 | 7.9 | -162.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 296 | A | 26.6 | Very low | 30 | Very low | 99 Ų | 99 | 112.9 Ų | 112.9 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | 83.7 | 96.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 297 | A | 27.8 | Very low | 30.3 | Very low | 108 Ų | 108 | 111.8 Ų | 111.8 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | trans | -151.6 | 139.6 | 140 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 298 | S | 35.4 | Very low | 30.8 | Very low | 84 Ų | 84 | 109.3 Ų | 109.3 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | trans | -53.7 | 147.9 | -168.4 | 173.4 | 0 | 0 | 0 | 0 | 117 | A300 | S298-A300 PolarHBondContact O-N 3.34Å; S298-A300 VanDerWaalsContact O-N 3.12Å; S298-A300 PolarHBondContact OG-N 3.34Å | ||
| 299 | P | 38.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 0.3 | 179.2 | 29.4 | -34.1 | 0 | 0 | 0 | 115.1 | A301 | P299-A301 VanDerWaalsContact C-N 3.33Å; P299-A301 PolarHBondContact O-N 3.3Å |
| 300 | A | 36.1 | Very low | 30.9 | Very low | 77 Ų | 77 | 106.6 Ų | 106.6 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -17 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S298 | S298-A300 PolarHBondContact O-N 3.34Å; S298-A300 VanDerWaalsContact O-N 3.12Å; S298-A300 PolarHBondContact OG-N 3.34Å |
| 301 | A | 35.3 | Very low | 31 | Very low | 81 Ų | 81 | 102.7 Ų | 102.7 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -16.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | P299 | P299-A301 VanDerWaalsContact C-N 3.33Å; P299-A301 PolarHBondContact O-N 3.3Å |
| 302 | A | 33.8 | Very low | 31.2 | Very low | 77 Ų | 77 | 104.8 Ų | 104.8 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -22.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 303 | A | 33.3 | Very low | 31.3 | Very low | 72 Ų | 72 | 99.8 Ų | 99.8 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -81 | -21.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 304 | A | 32.9 | Very low | 31.3 | Very low | 74 Ų | 74 | 103.5 Ų | 103.5 | 61% | 0.612 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -78.3 | -22.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 305 | A | 33.9 | Very low | 31.5 | Very low | 79 Ų | 79 | 100 Ų | 100 | 65% | 0.653 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -83.3 | -20.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 306 | A | 33.3 | Very low | 31.4 | Very low | 72 Ų | 72 | 100.3 Ų | 100.3 | 60% | 0.595 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -90.1 | -16.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 307 | A | 32.1 | Very low | 31.2 | Very low | 73 Ų | 73 | 106 Ų | 106 | 60% | 0.603 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -86.5 | -14.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 308 | A | 32 | Very low | 31.1 | Very low | 82 Ų | 82 | 106.7 Ų | 106.7 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -86.4 | -14 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 309 | A | 33.1 | Very low | 30.5 | Very low | 94 Ų | 94 | 111.4 Ų | 111.4 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -5.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 310 | A | 32.3 | Very low | 29.9 | Very low | 88 Ų | 88 | 111.1 Ų | 111.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 9.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 311 | A | 30.6 | Very low | 29.3 | Very low | 73 Ų | 73 | 114.6 Ų | 114.6 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -114.4 | 3.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 312 | Y | 29.6 | Very low | 28.9 | Very low | 221 Ų | 221 | 114.1 Ų | 114.1 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | trans | -137.3 | 68.7 | 177 | -77.8 | -79.8 | 0 | 0 | 0 | 112.7 | ||||
| 313 | T | 25.5 | Very low | 28.5 | Very low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | trans | -138.8 | 106.8 | 154.6 | 47.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 314 | T | 24.5 | Very low | 28.1 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -126.9 | 147 | 154.9 | 28.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 315 | P | 28.9 | Very low | 27.9 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 147.1 | -147.9 | 35.5 | -34.7 | 0 | 0 | 0 | 113.9 | ||
| 316 | V | 23.7 | Very low | 27.4 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 125.6 | 162.1 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 317 | Y | 22.9 | Very low | 26.9 | Very low | 218 Ų | 218 | 133.6 Ų | 133.6 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 119.1 | 174.6 | -145.1 | -89.6 | 0 | 0 | 0 | 109 | ||
| 318 | T | 24.7 | Very low | 26.5 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -141.7 | 128.7 | 155.1 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 319 | Q | 23.9 | Very low | 26.3 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -58 | 133.5 | -179.8 | -78.2 | 179.7 | -23.8 | 0 | 0 | 112.6 | ||||
| 320 | S | 24.5 | Very low | 25.8 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 138.3 | 167 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 321 | V | 25.1 | Very low | 25.4 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -114.4 | 110.2 | 149.9 | -170.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 322 | A | 25.2 | Very low | 25.6 | Very low | 71 Ų | 71 | 142.3 Ų | 142.3 | 59% | 0.587 | 81% | 0.811 | S | S | * | * | trans | -75.2 | 154.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 323 | N | 25.8 | Very low | 25.4 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | 169.2 | 95.8 | 120.8 | -84.3 | -25.9 | 0 | 0 | 0 | 112.2 | |||||
| 324 | H | 26.3 | Very low | 25.5 | Very low | 171 Ų | 171 | 136 Ų | 136 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | 155.7 | 142.4 | 105 | -90.6 | -59.9 | 0 | 0 | 0 | 112.7 | |||||
| 325 | P | 27.2 | Very low | 25.5 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 151.3 | -167.7 | 37.5 | -33.3 | 0 | 0 | 0 | 113.9 | ||
| 326 | V | 24.4 | Very low | 25.3 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 132.5 | 168.1 | 176 | 0 | 0 | 0 | 0 | 109.8 | ||
| 327 | Y | 22.3 | Very low | 25.7 | Very low | 214 Ų | 214 | 139.7 Ų | 139.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 146.8 | 175.3 | -97.9 | -105.8 | 0 | 0 | 0 | 114.8 | ||
| 328 | L | 24.8 | Very low | 25.6 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | trans | -153.3 | 139.3 | 140.1 | -102.5 | 148.7 | 0 | 0 | 0 | 110 | ||||
| 329 | A | 26 | Very low | 25.7 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -90.8 | 153.6 | -155.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 330 | A | 22.6 | Very low | 25.7 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -7.8 | 157.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 331 | A | 25.5 | Very low | 25.7 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | cis | -175 | -167.7 | 14.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 332 | P | 34.5 | Very low | 25.7 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | cis | -134.4 | 171.4 | -34.4 | 35.3 | -17.5 | 0 | 0 | 0 | 113.2 | ||||
| 333 | G | 24.9 | Very low | 25.7 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | 154.4 | 103.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 334 | I | 28.3 | Very low | 25.6 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | 89.4 | 95.6 | 146.4 | -49.6 | -179.7 | 0 | 0 | 0 | 118.6 | ||||
| 335 | E | 24.5 | Very low | 26.5 | Very low | 189 Ų | 189 | 127.7 Ų | 127.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | 67.6 | 125.6 | 131.3 | -59.3 | -177.3 | 163.5 | 0 | 0 | 122.6 | ||||
| 336 | M | 24.1 | Very low | 26.2 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -112.1 | 155 | 171.8 | -149.3 | 179.5 | 174 | 0 | 0 | 107.2 | ||||
| 337 | P | 31.3 | Very low | 26.2 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | -142.2 | 130.4 | 97.4 | 25.8 | -5.8 | 0 | 0 | 0 | 112 | |||||
| 338 | A | 22.7 | Very low | 26.3 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 65% | 0.653 | 81% | 0.806 | S | S | * | * | 72.1 | 106.7 | 85.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 339 | A | 25.8 | Very low | 26.2 | Very low | 108 Ų | 108 | 124 Ų | 124 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -172 | 134.5 | 131.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 340 | A | 23.1 | Very low | 26.3 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -78.3 | 154.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 341 | A | 26 | Very low | 27.1 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | 176.4 | 139 | 122.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 342 | T | 23.6 | Very low | 27.1 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -34.6 | 150.1 | 161 | 47.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 343 | V | 26.1 | Very low | 26.6 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | 161.3 | 139.9 | 118.4 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 344 | N | 23.7 | Very low | 26.6 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -100 | -177.4 | -175.2 | -132.5 | -15.9 | 0 | 0 | 0 | 110.4 | ||||
| 345 | P | 45.2 | Very low | 26.4 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | -108.2 | 161.9 | -119.6 | 40.1 | -27.6 | 0 | 0 | 0 | 115.6 | |||||
| 346 | A | 20.9 | Very low | 26.3 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 177.3 | 134.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 347 | Y | 24.8 | Very low | 26.2 | Very low | 226 Ų | 226 | 119.7 Ų | 119.7 | 89% | 0.886 | 78% | 0.782 | S | S | * | * | trans | 27.8 | 123.6 | 149.1 | -77.5 | -93 | 0 | 0 | 0 | 121.6 | ||||
| 348 | S | 23.9 | Very low | 26.1 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | 172.4 | 129.8 | 108.5 | 42.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 349 | V | 22.9 | Very low | 27.2 | Very low | 142 Ų | 142 | 122 Ų | 122 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 6.9 | 134 | 147.4 | -161.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 350 | A | 28 | Very low | 27 | Very low | 86 Ų | 86 | 121.5 Ų | 121.5 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -51.2 | 176.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 351 | P | 39.3 | Very low | 27.1 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -152.4 | -168.8 | 29.7 | 40.3 | -15.4 | 0 | 0 | 0 | 117.8 | ||||
| 352 | A | 24.9 | Very low | 27 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 81.6 | 148.5 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 353 | I | 24.9 | Very low | 27.2 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | cis | 176.5 | 158.7 | 1.2 | -103.3 | 169 | 0 | 0 | 0 | 106.4 | ||||
| 354 | Y | 24.6 | Very low | 27.3 | Very low | 221 Ų | 221 | 129.8 Ų | 129.8 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | 92.2 | 124.3 | 153.6 | -90.9 | -58.6 | 0 | 0 | 0 | 123.9 | A356 | Y354-A356 HydrophobicContact CD1-CB 4.49Š| ||
| 355 | G | 23 | Very low | 27.6 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 157.1 | 69.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 356 | A | 23 | Very low | 26.8 | Very low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | 49 | 132.6 | 89.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y354 | Y354-A356 HydrophobicContact CD1-CB 4.49Š| |||
| 357 | A | 23.4 | Very low | 27.2 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | cis | -168.1 | 156.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 358 | T | 28.8 | Very low | 27.4 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -54.2 | 174.2 | 164.2 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 359 | P | 45.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | -151.7 | 172.4 | 30.1 | 39.7 | -16.6 | 0 | 0 | 0 | 119 | ||||
| 360 | A | 21.4 | Very low | 28.1 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | 151.1 | 106.6 | 129.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 361 | Y | 24.8 | Very low | 28.9 | Very low | 230 Ų | 230 | 124.3 Ų | 124.3 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 29.7 | 121.3 | 131.6 | -113.2 | -98.7 | 0 | 0 | 0 | 123.1 | ||||
| 362 | A | 24.4 | Very low | 29.3 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | 165.4 | 131.2 | 131.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 363 | H | 26.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 123 Ų | 123 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | cis | -160.4 | 142.6 | 4.5 | -126.4 | -84.1 | 0 | 0 | 0 | 107.8 | ||||
| 364 | I | 28.9 | Very low | 31.3 | Very low | 152 Ų | 152 | 119.2 Ų | 119.2 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -112.9 | 147.1 | 164.7 | -65.9 | 170.2 | 0 | 0 | 0 | 107.7 | ||||
| 365 | S | 30.6 | Very low | 32.4 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -162.1 | 134.8 | 144.5 | -74.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 366 | A | 27.6 | Very low | 33.4 | Very low | 89 Ų | 89 | 114.7 Ų | 114.7 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | cis | -154.1 | 126.8 | 13.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 367 | M | 30.1 | Very low | 34.4 | Very low | 198 Ų | 198 | 118.1 Ų | 118.1 | 98% | 0.975 | 74% | 0.744 | S | S | * | * | 79 | 129.3 | 85.6 | -74.1 | -150.5 | -163.5 | 0 | 0 | 117.9 | |||||
| 368 | G | 28.2 | Very low | 35.6 | Very low | 79 Ų | 79 | 118.2 Ų | 118.2 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | trans | 151.4 | 51.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 369 | A | 28.6 | Very low | 36.4 | Very low | 108 Ų | 108 | 114.5 Ų | 114.5 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | 92.2 | 88.6 | 102.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 370 | A | 34.1 | Very low | 36.4 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | trans | -169.6 | 135.4 | 141 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 371 | D | 42.9 | Very low | 37.5 | Very low | 123 Ų | 123 | 112.7 Ų | 112.7 | 66% | 0.658 | 68% | 0.679 | S | S | * | * | trans | -62.6 | 134.2 | -163 | -60.6 | -53 | 0 | 0 | 0 | 114.9 | A373 S374 | D371-A373 VanDerWaalsContact C-N 3.27Å; D371-A373 PolarHBondContact O-N 3.46Å; D371-S374 PolarHBondContact O-OG 2.96Å | ||
| 372 | P | 49.2 | Very low | 38.7 | Very low | 102 Ų | 102 | 108 Ų | 108 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.9 | -17.8 | -178 | 27.6 | -34.2 | 0 | 0 | 0 | 113.9 | L376 | P372-L376 PolarHBondContact O-N 3.25Å |
| 373 | A | 45.7 | Very low | 39.8 | Very low | 73 Ų | 73 | 106.8 Ų | 106.8 | 60% | 0.603 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.2 | -33.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D371 F377 | D371-A373 VanDerWaalsContact C-N 3.27Å; D371-A373 PolarHBondContact O-N 3.46Å; A373-F377 WeakPolarHBondContact O-CB 3.34Å; A373-F377 PolarHBondContact O-N 2.97Å; A373-F377 VanDerWaalsContact O-N 3.16Å |
| 374 | S | 45.8 | Very low | 40.7 | Very low | 61 Ų | 61 | 105.1 Ų | 105.1 | 43% | 0.427 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.3 | -39.8 | 175.8 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | D371 L376 F377 E378 | D371-S374 PolarHBondContact O-OG 2.96Å; S374-L376 VanDerWaalsContact C-N 3.33Å; S374-L376 PolarHBondContact O-N 3.15Å; S374-F377 PolarHBondContact O-N 2.71Å; S374-E378 WeakPolarHBondContact O-CB 3.32Å; S374-E378 PolarHBondContact O-N 3.3Å |
| 375 | A | 47.8 | Very low | 41.5 | Very low | 61 Ų | 61 | 105.3 Ų | 105.3 | 50% | 0.504 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.9 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | A379 | A375-A379 WeakPolarHBondContact O-CB 3.33Å; A375-A379 PolarHBondContact O-N 2.7Å |
| 376 | L | 44.4 | Very low | 42.6 | Very low | 131 Ų | 131 | 106.7 Ų | 106.7 | 69% | 0.686 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.8 | -39.6 | 175.6 | -86.3 | 158.5 | 0 | 0 | 0 | 112.6 | P372 S374 A380 | P372-L376 PolarHBondContact O-N 3.25Å; S374-L376 VanDerWaalsContact C-N 3.33Å; S374-L376 PolarHBondContact O-N 3.15Å; L376-A380 WeakPolarHBondContact O-CB 3.12Å; L376-A380 PolarHBondContact O-N 2.81Å |
| 377 | F | 43.9 | Very low | 43.8 | Very low | 162 Ų | 162 | 104.7 Ų | 104.7 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71 | -35.5 | 178.4 | -157.1 | -93.2 | 0 | 0 | 0 | 112.1 | A373 S374 A380 R381 | A373-F377 WeakPolarHBondContact O-CB 3.34Å; A373-F377 PolarHBondContact O-N 2.97Å; A373-F377 VanDerWaalsContact O-N 3.16Å; S374-F377 PolarHBondContact O-N 2.71Å; F377-A380 PolarHBondContact O-N 3.36Å; F377-R381 WeakPolarHBondContact O-CB 3.42Å; F377-R381 PolarHBondContact O-N 3.41Å |
| 378 | E | 48.8 | Very low | 44.8 | Very low | 97 Ų | 97 | 100.6 Ų | 100.6 | 45% | 0.453 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.3 | -34.5 | 179.9 | -152.9 | 148 | -142.9 | 0 | 0 | 112.2 | S374 R381 Q382 | S374-E378 WeakPolarHBondContact O-CB 3.32Å; S374-E378 PolarHBondContact O-N 3.3Å; E378-R381 PolarHBondContact O-N 3.41Å; E378-R381 IonicContact OE1-NH2 3.09Å; E378-R381 PolarHBondContact OE1-NH2 3.41Å; E378-R381 VanDerWaalsContact OE1-NH2 3.14Å; E378-Q382 PolarHBondContact O-N 2.9Å |
| 379 | A | 45 | Very low | 46.3 | Very low | 52 Ų | 52 | 98.5 Ų | 98.5 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.1 | -39.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A375 Q382 A383 | A375-A379 WeakPolarHBondContact O-CB 3.33Å; A375-A379 PolarHBondContact O-N 2.7Å; A379-Q382 PolarHBondContact O-N 2.08Å; A379-A383 WeakPolarHBondContact O-CB 3.49Å; A379-A383 PolarHBondContact O-N 3.48Å |
| 380 | A | 45.4 | Very low | 47.3 | Very low | 52 Ų | 52 | 99.1 Ų | 99.1 | 43% | 0.43 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L376 F377 A383 H384 | L376-A380 WeakPolarHBondContact O-CB 3.12Å; L376-A380 PolarHBondContact O-N 2.81Å; F377-A380 PolarHBondContact O-N 3.36Å; A380-A383 PolarHBondContact O-N 3.04Å; A380-H384 PolarHBondContact O-N 2.93Å; A380-H384 VanDerWaalsContact O-N 3.09Å |
| 381 | R | 43.8 | Very low | 48.1 | Very low | 128 Ų | 128 | 100.8 Ų | 100.8 | 48% | 0.483 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 174.4 | -169.8 | 177.5 | 67.1 | 138.4 | -6.4 | 111.8 | F377 E378 H384 Y385 | F377-R381 WeakPolarHBondContact O-CB 3.42Å; F377-R381 PolarHBondContact O-N 3.41Å; E378-R381 PolarHBondContact O-N 3.41Å; E378-R381 IonicContact OE1-NH2 3.09Å; E378-R381 PolarHBondContact OE1-NH2 3.41Å; E378-R381 VanDerWaalsContact OE1-NH2 3.14Å; R381-H384 PolarHBondContact O-N 3.32Å; R381-Y385 HydrophobicContact CG-CD2 3.95Å; R381-Y385 HydrophobicContact CG-CE2 3.88Å; R381-Y385 VanDerWaalsContact O-CD2 3.31Å; R381-Y385 WeakPolarHBondContact O-CD2 3.31Å; R381-Y385 PolarHBondContact O-N 3.06Å |
| 382 | Q | 51.1 | Low | 49 | Very low | 132 Ų | 132 | 99.1 Ų | 99.1 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 175.8 | -83.5 | 172.6 | -14.9 | 0 | 0 | 112.6 | E378 A379 H384 Y385 F386 | E378-Q382 PolarHBondContact O-N 2.9Å; A379-Q382 PolarHBondContact O-N 2.08Å; Q382-H384 VanDerWaalsContact C-N 3.34Å; Q382-H384 PolarHBondContact O-N 2.83Å; Q382-Y385 PolarHBondContact O-N 3.2Å; Q382-F386 VanDerWaalsContact O-CB 3.27Å; Q382-F386 WeakPolarHBondContact O-CB 3.27Å; Q382-F386 PolarHBondContact O-N 3.01Å |
| 383 | A | 47.4 | Very low | 49.3 | Very low | 61 Ų | 61 | 97.9 Ų | 97.9 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A379 A380 F386 A387 | A379-A383 WeakPolarHBondContact O-CB 3.49Å; A379-A383 PolarHBondContact O-N 3.48Å; A380-A383 PolarHBondContact O-N 3.04Å; A383-F386 PolarHBondContact O-N 3.37Å; A383-A387 WeakPolarHBondContact O-CB 3.45Å; A383-A387 PolarHBondContact O-N 3.37Å |
| 384 | H | 45.5 | Very low | 49.6 | Very low | 135 Ų | 135 | 96.5 Ų | 96.5 | 63% | 0.625 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 175 | -96.7 | -74.7 | 0 | 0 | 0 | 113.2 | A380 R381 Q382 F386 A387 Q388 | A380-H384 PolarHBondContact O-N 2.93Å; A380-H384 VanDerWaalsContact O-N 3.09Å; R381-H384 PolarHBondContact O-N 3.32Å; Q382-H384 VanDerWaalsContact C-N 3.34Å; Q382-H384 PolarHBondContact O-N 2.83Å; H384-F386 VanDerWaalsContact C-N 3.34Å; H384-A387 PolarHBondContact O-N 3.44Å; H384-Q388 WeakPolarHBondContact O-CG 3.49Å; H384-Q388 PolarHBondContact O-N 3.12Å |
| 385 | Y | 46.7 | Very low | 50.3 | Low | 155 Ų | 155 | 98.8 Ų | 98.8 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.3 | -35.8 | 174.8 | -87.5 | -73.2 | 0 | 0 | 0 | 112.4 | R381 Q382 Q388 G389 | R381-Y385 HydrophobicContact CG-CD2 3.95Å; R381-Y385 HydrophobicContact CG-CE2 3.88Å; R381-Y385 VanDerWaalsContact O-CD2 3.31Å; R381-Y385 WeakPolarHBondContact O-CD2 3.31Å; R381-Y385 PolarHBondContact O-N 3.06Å; Q382-Y385 PolarHBondContact O-N 3.2Å; Y385-Q388 PolarHBondContact O-N 3.27Å; Y385-G389 PolarHBondContact O-N 3.4Å |
| 386 | F | 52.8 | Low | 50.7 | Low | 144 Ų | 144 | 102.7 Ų | 102.7 | 63% | 0.632 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 176.6 | -168 | -98.9 | 0 | 0 | 0 | 112 | Q382 A383 H384 G389 Q390 | Q382-F386 VanDerWaalsContact O-CB 3.27Å; Q382-F386 WeakPolarHBondContact O-CB 3.27Å; Q382-F386 PolarHBondContact O-N 3.01Å; A383-F386 PolarHBondContact O-N 3.37Å; H384-F386 VanDerWaalsContact C-N 3.34Å; F386-G389 PolarHBondContact O-N 2.79Å; F386-Q390 HydrophobicContact CE1-CG 4.43Å; F386-Q390 PolarHBondContact O-N 3.49Å |
| 387 | A | 52.7 | Low | 51.3 | Low | 48 Ų | 48 | 102.6 Ų | 102.6 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A383 H384 Q390 Q391 | A383-A387 WeakPolarHBondContact O-CB 3.45Å; A383-A387 PolarHBondContact O-N 3.37Å; H384-A387 PolarHBondContact O-N 3.44Å; A387-Q390 PolarHBondContact O-N 2.96Å; A387-Q391 PolarHBondContact O-N 2.93Å; A387-Q391 VanDerWaalsContact O-N 3.13Å |
| 388 | Q | 51.7 | Low | 51.9 | Low | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 173 | -77.7 | -175.5 | -4.3 | 0 | 0 | 112.1 | H384 Y385 Q390 Q391 V392 | H384-Q388 WeakPolarHBondContact O-CG 3.49Å; H384-Q388 PolarHBondContact O-N 3.12Å; Y385-Q388 PolarHBondContact O-N 3.27Å; Q388-Q390 VanDerWaalsContact C-N 3.34Å; Q388-Q390 PolarHBondContact O-N 3.47Å; Q388-Q391 PolarHBondContact O-N 3.16Å; Q388-V392 WeakPolarHBondContact O-CG2 3.28Å; Q388-V392 PolarHBondContact O-N 3.43Å |
| 389 | G | 59.2 | Low | 52 | Low | 36 Ų | 36 | 97.2 Ų | 97.2 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y385 F386 V392 V393 | Y385-G389 PolarHBondContact O-N 3.4Å; F386-G389 PolarHBondContact O-N 2.79Å; G389-V392 PolarHBondContact O-N 3.47Å; G389-V393 WeakPolarHBondContact O-CG2 3.4Å; G389-V393 PolarHBondContact O-N 3.44Å; G389-V393 VanDerWaalsContact O-N 3.16Å |
| 390 | Q | 49.5 | Very low | 52.4 | Low | 120 Ų | 120 | 97.6 Ų | 97.6 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.6 | -36.2 | 174.9 | -74.6 | -175.4 | -15.7 | 0 | 0 | 112.9 | F386 A387 Q388 A394 | F386-Q390 HydrophobicContact CE1-CG 4.43Å; F386-Q390 PolarHBondContact O-N 3.49Å; A387-Q390 PolarHBondContact O-N 2.96Å; Q388-Q390 VanDerWaalsContact C-N 3.34Å; Q388-Q390 PolarHBondContact O-N 3.47Å; Q390-A394 WeakPolarHBondContact O-CB 3.3Å; Q390-A394 PolarHBondContact O-N 3.31Å |
| 391 | Q | 50.1 | Low | 52.8 | Low | 132 Ų | 132 | 99.6 Ų | 99.6 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.8 | -40.7 | 174.2 | -89.8 | 179.1 | -29.9 | 0 | 0 | 112.6 | A387 Q388 V393 A394 D395 | A387-Q391 PolarHBondContact O-N 2.93Å; A387-Q391 VanDerWaalsContact O-N 3.13Å; Q388-Q391 PolarHBondContact O-N 3.16Å; Q391-V393 VanDerWaalsContact C-N 3.32Å; Q391-V393 PolarHBondContact O-N 3.4Å; Q391-A394 PolarHBondContact O-N 2.9Å; Q391-D395 WeakPolarHBondContact O-CB 3.2Å; Q391-D395 PolarHBondContact O-N 2.9Å |
| 392 | V | 61.9 | Low | 53 | Low | 88 Ų | 88 | 96.4 Ų | 96.4 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | Q388 G389 Q396 | Q388-V392 WeakPolarHBondContact O-CG2 3.28Å; Q388-V392 PolarHBondContact O-N 3.43Å; G389-V392 PolarHBondContact O-N 3.47Å; V392-Q396 WeakPolarHBondContact O-CB 3.27Å; V392-Q396 PolarHBondContact O-N 2.96Å |
| 393 | V | 55.3 | Low | 52.8 | Low | 76 Ų | 76 | 93 Ų | 93 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 174.3 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | G389 Q391 Q396 Q397 | G389-V393 WeakPolarHBondContact O-CG2 3.4Å; G389-V393 PolarHBondContact O-N 3.44Å; G389-V393 VanDerWaalsContact O-N 3.16Å; Q391-V393 VanDerWaalsContact C-N 3.32Å; Q391-V393 PolarHBondContact O-N 3.4Å; V393-Q396 PolarHBondContact O-N 3.03Å; V393-Q397 WeakPolarHBondContact O-CB 3.42Å; V393-Q397 VanDerWaalsContact O-CG 3.28Å; V393-Q397 WeakPolarHBondContact O-CG 3.18Å; V393-Q397 PolarHBondContact O-N 3.47Å |
| 394 | A | 53.3 | Low | 52.9 | Low | 44 Ų | 44 | 93 Ų | 93 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q390 Q391 Q397 T398 | Q390-A394 WeakPolarHBondContact O-CB 3.3Å; Q390-A394 PolarHBondContact O-N 3.31Å; Q391-A394 PolarHBondContact O-N 2.9Å; A394-Q397 PolarHBondContact O-N 3.48Å; A394-T398 WeakPolarHBondContact O-CB 3.21Å; A394-T398 WeakPolarHBondContact O-CG2 3.28Å; A394-T398 PolarHBondContact O-N 3.44Å; A394-T398 PolarHBondContact O-OG1 3.49Å |
| 395 | D | 59.4 | Low | 53.1 | Low | 110 Ų | 110 | 91.3 Ų | 91.3 | 59% | 0.588 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.5 | -35.3 | 175.2 | -78.5 | -11.3 | 0 | 0 | 0 | 111.7 | Q391 T398 A399 | Q391-D395 WeakPolarHBondContact O-CB 3.2Å; Q391-D395 PolarHBondContact O-N 2.9Å; D395-T398 VanDerWaalsContact CA-OG1 3.27Å; D395-T398 WeakPolarHBondContact CA-OG1 3.47Å; D395-T398 PolarHBondContact O-OG1 3.4Å; D395-T398 VanDerWaalsContact O-OG1 3.09Å; D395-A399 WeakPolarHBondContact O-CB 3.34Å; D395-A399 PolarHBondContact O-N 3.48Å |
| 396 | Q | 57.6 | Low | 53 | Low | 142 Ų | 142 | 87.9 Ų | 87.9 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -72.4 | -32.9 | 175.7 | -162.1 | 163.9 | 82.9 | 0 | 0 | 112.2 | V392 V393 A400 | V392-Q396 WeakPolarHBondContact O-CB 3.27Å; V392-Q396 PolarHBondContact O-N 2.96Å; V393-Q396 PolarHBondContact O-N 3.03Å; Q396-A400 VanDerWaalsContact O-CB 3.3Å; Q396-A400 WeakPolarHBondContact O-CB 3.44Å; Q396-A400 PolarHBondContact O-N 2.94Å |
| 397 | Q | 56.7 | Low | 52.6 | Low | 130 Ų | 130 | 90.3 Ų | 90.3 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.4 | -40.2 | 172.4 | -76 | 176 | -0.7 | 0 | 0 | 112.3 | V393 A394 A400 V401 | V393-Q397 WeakPolarHBondContact O-CB 3.42Å; V393-Q397 VanDerWaalsContact O-CG 3.28Å; V393-Q397 WeakPolarHBondContact O-CG 3.18Å; V393-Q397 PolarHBondContact O-N 3.47Å; A394-Q397 PolarHBondContact O-N 3.48Å; Q397-A400 PolarHBondContact O-N 3.48Å; Q397-V401 VanDerWaalsContact O-CG2 3.28Å; Q397-V401 WeakPolarHBondContact O-CG2 3.47Å; Q397-V401 PolarHBondContact O-N 3.01Å |
| 398 | T | 55.3 | Low | 52.1 | Low | 87 Ų | 87 | 92.8 Ų | 92.8 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.7 | -35.5 | 176 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | A394 D395 V401 A402 | A394-T398 WeakPolarHBondContact O-CB 3.21Å; A394-T398 WeakPolarHBondContact O-CG2 3.28Å; A394-T398 PolarHBondContact O-N 3.44Å; A394-T398 PolarHBondContact O-OG1 3.49Å; D395-T398 VanDerWaalsContact CA-OG1 3.27Å; D395-T398 WeakPolarHBondContact CA-OG1 3.47Å; D395-T398 PolarHBondContact O-OG1 3.4Å; D395-T398 VanDerWaalsContact O-OG1 3.09Å; T398-V401 PolarHBondContact O-N 3.39Å; T398-A402 WeakPolarHBondContact O-CB 3.33Å; T398-A402 PolarHBondContact O-N 3.36Å |
| 399 | A | 52.6 | Low | 51.7 | Low | 59 Ų | 59 | 90.6 Ų | 90.6 | 49% | 0.488 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -36.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | D395 A402 A403 | D395-A399 WeakPolarHBondContact O-CB 3.34Å; D395-A399 PolarHBondContact O-N 3.48Å; A399-A402 PolarHBondContact O-N 3.38Å; A399-A403 WeakPolarHBondContact O-CB 3.36Å; A399-A403 PolarHBondContact O-N 3.14Å |
| 400 | A | 52.5 | Low | 50.6 | Low | 59 Ų | 59 | 97.5 Ų | 97.5 | 49% | 0.488 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.4 | -36.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q396 Q397 A404 | Q396-A400 VanDerWaalsContact O-CB 3.3Å; Q396-A400 WeakPolarHBondContact O-CB 3.44Å; Q396-A400 PolarHBondContact O-N 2.94Å; Q397-A400 PolarHBondContact O-N 3.48Å; A400-A404 WeakPolarHBondContact O-CB 3.34Å; A400-A404 PolarHBondContact O-N 2.92Å; A400-A404 VanDerWaalsContact O-N 3.1Å |
| 401 | V | 54 | Low | 50.1 | Low | 95 Ų | 95 | 103.1 Ų | 103.1 | 58% | 0.576 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.6 | -39.7 | 174 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | Q397 T398 A404 V405 | Q397-V401 VanDerWaalsContact O-CG2 3.28Å; Q397-V401 WeakPolarHBondContact O-CG2 3.47Å; Q397-V401 PolarHBondContact O-N 3.01Å; T398-V401 PolarHBondContact O-N 3.39Å; V401-A404 PolarHBondContact O-N 3.33Å; V401-V405 WeakPolarHBondContact O-CG2 3.43Å; V401-V405 PolarHBondContact O-N 3.49Å |
| 402 | A | 47.5 | Very low | 49.4 | Very low | 60 Ų | 60 | 104.5 Ų | 104.5 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66 | -38.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T398 A399 A404 V405 A406 | T398-A402 WeakPolarHBondContact O-CB 3.33Å; T398-A402 PolarHBondContact O-N 3.36Å; A399-A402 PolarHBondContact O-N 3.38Å; A402-A404 VanDerWaalsContact C-N 3.32Å; A402-A404 PolarHBondContact O-N 3.38Å; A402-V405 PolarHBondContact O-N 3.3Å; A402-A406 PolarHBondContact O-N 3.24Å |
| 403 | A | 46.7 | Very low | 48 | Very low | 60 Ų | 60 | 112.1 Ų | 112.1 | 50% | 0.496 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.5 | -28.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A399 | A399-A403 WeakPolarHBondContact O-CB 3.36Å; A399-A403 PolarHBondContact O-N 3.14Å |
| 404 | A | 50.6 | Low | 46.9 | Very low | 63 Ų | 63 | 113.8 Ų | 113.8 | 52% | 0.521 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -75 | -37.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A400 V401 A402 K407 | A400-A404 WeakPolarHBondContact O-CB 3.34Å; A400-A404 PolarHBondContact O-N 2.92Å; A400-A404 VanDerWaalsContact O-N 3.1Å; V401-A404 PolarHBondContact O-N 3.33Å; A402-A404 VanDerWaalsContact C-N 3.32Å; A402-A404 PolarHBondContact O-N 3.38Å; A404-K407 PolarHBondContact O-N 3.03Å |
| 405 | V | 49.9 | Very low | 46.2 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 59% | 0.594 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.4 | -31.1 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 112 | V401 A402 K407 | V401-V405 WeakPolarHBondContact O-CG2 3.43Å; V401-V405 PolarHBondContact O-N 3.49Å; A402-V405 PolarHBondContact O-N 3.3Å; V405-K407 VanDerWaalsContact C-N 3.27Å; V405-K407 PolarHBondContact O-N 3.1Å |
| 406 | A | 43.7 | Very low | 44.8 | Very low | 83 Ų | 83 | 121 Ų | 121 | 69% | 0.686 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -13.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A402 | A402-A406 PolarHBondContact O-N 3.24Š|
| 407 | K | 45.3 | Very low | 43.7 | Very low | 195 Ų | 195 | 126 Ų | 126 | 85% | 0.848 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -2.5 | 178 | -82.9 | -176.8 | 176.4 | 176.8 | 0 | 114.9 | A404 V405 | A404-K407 PolarHBondContact O-N 3.03Å; V405-K407 VanDerWaalsContact C-N 3.27Å; V405-K407 PolarHBondContact O-N 3.1Å |
| 408 | S | 42.2 | Very low | 42.5 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -111.1 | 5.6 | 178.7 | 68.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 409 | G | 42.5 | Very low | 41.4 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -100.3 | -1.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 410 | E | 35.7 | Very low | 40.3 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -133 | 65 | -166.8 | -154.4 | 120 | -159.5 | 0 | 0 | 112.8 | ||||
| 411 | R | 39.5 | Very low | 40.1 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -162.4 | 60 | 162.7 | -124.1 | -171.9 | -77.8 | -173.5 | -3.1 | 112.2 | ||
| 412 | D | 34.9 | Very low | 39 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -165.8 | 90.6 | 152.3 | -99.4 | -32.3 | 0 | 0 | 0 | 111.4 | ||||
| 413 | R | 32.4 | Very low | 38.3 | Very low | 249 Ų | 249 | 144.7 Ų | 144.7 | 94% | 0.94 | 78% | 0.783 | S | S | * | * | trans | -135.2 | 99.1 | 157.3 | -83.2 | -173.1 | 175.5 | 160.7 | 0.1 | 108.2 | ||||
| 414 | S | 32.7 | Very low | 38.1 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -112.2 | 138 | 154.4 | -67.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 415 | P | 38.5 | Very low | 37.4 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -86.8 | 137.5 | -161.8 | 33 | -33.1 | 0 | 0 | 0 | 113 | ||||
| 416 | L | 31.1 | Very low | 37.3 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 124.5 | 163.4 | -83.3 | 151.8 | 0 | 0 | 0 | 110.3 | ||||
| 417 | R | 33.6 | Very low | 36.7 | Very low | 249 Ų | 249 | 153.7 Ų | 153.7 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | trans | -111.7 | 138 | 152.7 | -102.1 | -145 | -177.3 | -161.2 | 4.6 | 110.4 | ||||
| 418 | R | 31.9 | Very low | 36 | Very low | 230 Ų | 230 | 151.5 Ų | 151.5 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -79.6 | 150.1 | -170.1 | -61.8 | 174.1 | 168.1 | -160.9 | -3.9 | 113.6 | ||||
| 419 | S | 31.3 | Very low | 35.8 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | 46.6 | 111.2 | 138.7 | 62.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 420 | A | 30.5 | Very low | 36.6 | Very low | 97 Ų | 97 | 157 Ų | 157 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | 37.5 | 164.9 | 128.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 421 | P | 47.1 | Very low | 36.5 | Very low | 112 Ų | 112 | 157.7 Ų | 157.7 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -133.6 | -179.9 | -30.4 | 34.5 | -14.6 | 0 | 0 | 0 | 114.1 | ||||
| 422 | L | 31.1 | Very low | 36.2 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | 161.9 | 138.8 | 135 | -81.5 | 175.6 | 0 | 0 | 0 | 113.3 | ||||
| 423 | L | 32.9 | Very low | 36.2 | Very low | 164 Ų | 164 | 153.9 Ų | 153.9 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -63.8 | 179.6 | 178.1 | -110 | 77.3 | 0 | 0 | 0 | 114.7 | ||||
| 424 | P | 42.1 | Very low | 36.2 | Very low | 114 Ų | 114 | 149 Ų | 149 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -134.9 | 173.3 | 3.4 | 31.3 | -7.8 | 0 | 0 | 0 | 117.2 | ||||
| 425 | D | 36.9 | Very low | 36.1 | Very low | 153 Ų | 153 | 155 Ų | 155 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -60.7 | 159.5 | 171.8 | -110 | -13.7 | 0 | 0 | 0 | 114.3 | ||||
| 426 | P | 46.8 | Very low | 35.8 | Very low | 112 Ų | 112 | 153 Ų | 153 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | -155.8 | 142.4 | 89.8 | 38.9 | -17.6 | 0 | 0 | 0 | 119.6 | |||||
| 427 | V | 31.9 | Very low | 36.4 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | 77.8 | 119.9 | 119.5 | 176.5 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 428 | M | 29.8 | Very low | 36.9 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | 56 | 151.2 | 142 | -65.4 | 171.1 | 129.3 | 0 | 0 | 120.3 | ||||
| 429 | K | 38.9 | Very low | 37.1 | Very low | 179 Ų | 179 | 148 Ų | 148 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | cis | -169.6 | 175.8 | -0.6 | -114.2 | -179.7 | 177.5 | 176.6 | 0 | 107.5 | ||||
| 430 | P | 58.4 | Low | 37.5 | Very low | 101 Ų | 101 | 152.8 Ų | 152.8 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | trans | -107 | 157.9 | -160.2 | 40.1 | -34.4 | 0 | 0 | 0 | 115.4 | ||||
| 431 | F | 34.2 | Very low | 37.8 | Very low | 196 Ų | 196 | 154.5 Ų | 154.5 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -165.1 | 118.6 | 160.2 | -88.6 | -75.6 | 0 | 0 | 0 | 109 | ||||
| 432 | I | 33.6 | Very low | 37.3 | Very low | 131 Ų | 131 | 155.3 Ų | 155.3 | 67% | 0.672 | 78% | 0.777 | S | S | * | * | 95.4 | 113.6 | 79.7 | -83.3 | -161.8 | 0 | 0 | 0 | 114.8 | |||||
| 433 | Y | 35.1 | Very low | 37.5 | Very low | 188 Ų | 188 | 154 Ų | 154 | 74% | 0.737 | 77% | 0.771 | S | S | * | * | trans | 75.2 | 137.9 | 138.1 | -88.5 | -82.2 | 0 | 0 | 0 | 126.8 | ||||
| 434 | Q | 32 | Very low | 37.8 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 84 | 116.4 | 136.1 | -96.5 | 154.6 | 52 | 0 | 0 | 120.9 | ||||
| 435 | R | 30.3 | Very low | 37.5 | Very low | 238 Ų | 238 | 152.5 Ų | 152.5 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | 75.6 | 148.6 | 102.3 | -106.9 | -172.1 | 173.6 | 172.7 | -2 | 113 | |||||
| 436 | A | 32.3 | Very low | 37.5 | Very low | 86 Ų | 86 | 151.3 Ų | 151.3 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | cis | -165.2 | 168.4 | 5.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 437 | K | 44.9 | Very low | 36.7 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -68.8 | 166.4 | 170.9 | -68.7 | 172.7 | 174.5 | 175.1 | 0 | 113 | ||||
| 438 | P | 42.9 | Very low | 36.5 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | -138.3 | 175.6 | 120.8 | 30.8 | -12.9 | 0 | 0 | 0 | 115.2 | |||||
| 439 | R | 36.7 | Very low | 36.4 | Very low | 223 Ų | 223 | 154.1 Ų | 154.1 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -115.5 | 155 | -161.1 | -72.4 | 176.5 | 143.6 | 131.7 | -6 | 113.6 | ||||
| 440 | R | 38.5 | Very low | 35.8 | Very low | 208 Ų | 208 | 149.8 Ų | 149.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 71.4 | 149.5 | 142.1 | -85.3 | -176.1 | -179 | -154.4 | 0.2 | 118.9 | ||||
| 441 | P | 38 | Very low | 34.7 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | -144.6 | -174.5 | 57.3 | 36.1 | -12.5 | 0 | 0 | 0 | 117.6 | |||||
| 442 | L | 35.3 | Very low | 34.5 | Very low | 129 Ų | 129 | 149.8 Ų | 149.8 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | trans | -111.1 | 150 | -168.6 | -77.2 | 164.5 | 0 | 0 | 0 | 114.3 | ||||
| 443 | L | 35.9 | Very low | 34.3 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | 71.1 | 149.1 | 153 | -75.5 | 145 | 0 | 0 | 0 | 119.1 | ||||
| 444 | P | 40.5 | Very low | 34.1 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | cis | -137 | 168.9 | 33.9 | 38 | -17.3 | 0 | 0 | 0 | 117.7 | ||||
| 445 | T | 35.3 | Very low | 34.3 | Very low | 129 Ų | 129 | 148 Ų | 148 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -72 | 150.7 | 174.2 | 37.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 446 | P | 36.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -134.3 | 163 | 133 | 35.6 | -21.3 | 0 | 0 | 0 | 114.1 | ||||
| 447 | A | 30.2 | Very low | 34.7 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -76.1 | 150.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 448 | G | 27.7 | Very low | 34.8 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 125.5 | 116.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 449 | R | 26.9 | Very low | 34.9 | Very low | 250 Ų | 250 | 139.7 Ų | 139.7 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | 111.3 | 124.9 | 137 | -150.4 | 174.9 | -169.4 | 145.2 | 2.1 | 117.1 | ||||
| 450 | A | 25.7 | Very low | 35.8 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 74.5 | 110.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 451 | A | 35.4 | Very low | 37.1 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 28.4 | 107.8 | 132.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 452 | E | 31.1 | Very low | 38 | Very low | 198 Ų | 198 | 128.7 Ų | 128.7 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | -134.4 | 117.1 | 143.5 | -84.1 | -164 | 120.3 | 0 | 0 | 109.5 | ||||
| 453 | E | 30 | Very low | 39.4 | Very low | 187 Ų | 187 | 125.2 Ų | 125.2 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -47.9 | 132.1 | 162.9 | -93.7 | 157.4 | 108.2 | 0 | 0 | 111.3 | V455 | E453-V455 PolarHBondContact O-N 3.06Š| ||
| 454 | A | 30.7 | Very low | 40.9 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | trans | -65.2 | 124.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108 | E456 | A454-E456 VanDerWaalsContact C-N 3.33Å; A454-E456 PolarHBondContact O-N 3.44Å | ||
| 455 | V | 36.3 | Very low | 42.6 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | trans | -63.3 | 96.3 | 168 | 174.7 | 0 | 0 | 0 | 0 | 107.9 | E453 | E453-V455 PolarHBondContact O-N 3.06Š| ||
| 456 | E | 32.3 | Very low | 44.1 | Very low | 156 Ų | 156 | 127 Ų | 127 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | trans | -87.4 | 146.4 | 170.6 | -152.1 | 157.4 | -153.5 | 0 | 0 | 108.8 | A454 | A454-E456 VanDerWaalsContact C-N 3.33Å; A454-E456 PolarHBondContact O-N 3.44Å | ||
| 457 | A | 38.3 | Very low | 45.9 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | trans | -51.5 | 159 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E459 | A457-E459 PolarHBondContact O-N 3.35Š| ||
| 458 | P | 46 | Very low | 47.8 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | trans | -64.5 | 101.3 | 179.3 | 28.3 | -32.9 | 0 | 0 | 0 | 108.7 | D460 | P458-D460 PolarHBondContact O-N 2.91Š| ||
| 459 | E | 44.5 | Very low | 50 | Low | 113 Ų | 113 | 126.8 Ų | 126.8 | 53% | 0.528 | 68% | 0.678 | S | S | . | * | trans | -67.5 | 122.7 | 178.2 | -66.8 | -139.4 | 130.4 | 0 | 0 | 109.6 | A457 S461 R464 | A457-E459 PolarHBondContact O-N 3.35Å; E459-S461 PolarHBondContact O-N 2.85Å; E459-R464 IonicContact OE2-NH1 2.64Å | ||
| 460 | D | 56.2 | Low | 51.9 | Low | 121 Ų | 121 | 121.9 Ų | 121.9 | 65% | 0.647 | 66% | 0.661 | S | S | * | * | trans | -48.6 | 120.1 | 175.4 | -96.3 | -45.3 | 0 | 0 | 0 | 110.1 | P458 M462 A463 R464 | P458-D460 PolarHBondContact O-N 2.91Å; D460-M462 PolarHBondContact O-N 3.05Å; D460-A463 HydrophobicContact CB-CB 4.26Å; D460-A463 WeakPolarHBondContact O-CB 3.27Å; D460-A463 PolarHBondContact O-N 2.93Å; D460-R464 PolarHBondContact O-N 2.86Å | ||
| 461 | S | 66.9 | Low | 54 | Low | 98 Ų | 98 | 123.6 Ų | 123.6 | 69% | 0.685 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -51.8 | -26.2 | 173 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | E459 Y465 | E459-S461 PolarHBondContact O-N 2.85Å; S461-Y465 PolarHBondContact O-N 3.44Å |
| 462 | M | 56.7 | Low | 55.5 | Low | 113 Ų | 113 | 125 Ų | 125 | 56% | 0.557 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.5 | -38.2 | 173.8 | -157.8 | 67.5 | 64.9 | 0 | 0 | 113 | D460 Y465 Y466 | D460-M462 PolarHBondContact O-N 3.05Å; M462-Y465 PolarHBondContact O-N 2.9Å; M462-Y466 HydrophobicContact CG-CD2 4.02Å; M462-Y466 HydrophobicContact CG-CE2 3.84Å; M462-Y466 VanDerWaalsContact O-CD2 3.24Å; M462-Y466 WeakPolarHBondContact O-CD2 3.43Å; M462-Y466 PolarHBondContact O-N 3.42Å; M462-Y466 HydrophobicContact SD-CE2 4.17Å |
| 463 | A | 63.7 | Low | 56.8 | Low | 55 Ų | 55 | 120.3 Ų | 120.3 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.4 | -36.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D460 Y466 A467 | D460-A463 HydrophobicContact CB-CB 4.26Å; D460-A463 WeakPolarHBondContact O-CB 3.27Å; D460-A463 PolarHBondContact O-N 2.93Å; A463-Y466 PolarHBondContact O-N 3.05Å; A463-A467 VanDerWaalsContact O-CB 3.32Å; A463-A467 WeakPolarHBondContact O-CB 3.35Å; A463-A467 PolarHBondContact O-N 2.82Å |
| 464 | R | 67.1 | Low | 58.2 | Low | 152 Ų | 152 | 119 Ų | 119 | 57% | 0.574 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.2 | -44.5 | 170.6 | -86 | -172.1 | 152.1 | 85.7 | 2.1 | 112.1 | E459 D460 Y466 A467 E468 | E459-R464 IonicContact OE2-NH1 2.64Å; D460-R464 PolarHBondContact O-N 2.86Å; R464-Y466 PolarHBondContact O-N 3.04Å; R464-A467 PolarHBondContact O-N 2.89Å; R464-E468 WeakPolarHBondContact O-CG 3.39Å; R464-E468 PolarHBondContact O-N 3.13Å |
| 465 | Y | 77.2 | Confident | 59.3 | Low | 144 Ų | 144 | 121.4 Ų | 121.4 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.7 | -44.3 | 177.2 | -176.6 | -99.7 | 0 | 0 | 0 | 112.3 | S461 M462 E468 Y469 | S461-Y465 PolarHBondContact O-N 3.44Å; M462-Y465 PolarHBondContact O-N 2.9Å; Y465-E468 PolarHBondContact O-N 2.99Å; Y465-Y469 WeakPolarHBondContact O-CB 3.15Å; Y465-Y469 PolarHBondContact O-N 3.22Å |
| 466 | Y | 67.7 | Low | 59.7 | Low | 133 Ų | 133 | 124 Ų | 124 | 52% | 0.522 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.2 | -36 | 176.9 | -81.5 | -70.3 | 0 | 0 | 0 | 112.8 | M462 A463 R464 Y469 Y470 | M462-Y466 HydrophobicContact CG-CD2 4.02Å; M462-Y466 HydrophobicContact CG-CE2 3.84Å; M462-Y466 VanDerWaalsContact O-CD2 3.24Å; M462-Y466 WeakPolarHBondContact O-CD2 3.43Å; M462-Y466 PolarHBondContact O-N 3.42Å; M462-Y466 HydrophobicContact SD-CE2 4.17Å; A463-Y466 PolarHBondContact O-N 3.05Å; R464-Y466 PolarHBondContact O-N 3.04Å; Y466-Y469 PolarHBondContact O-N 3.09Å; Y466-Y470 VanDerWaalsContact O-CD2 3.24Å; Y466-Y470 WeakPolarHBondContact O-CD2 3.49Å; Y466-Y470 PolarHBondContact O-N 2.99Å |
| 467 | A | 72.9 | Confident | 60.2 | Low | 61 Ų | 61 | 121.3 Ų | 121.3 | 50% | 0.504 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.1 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A463 R464 Y470 Q471 | A463-A467 VanDerWaalsContact O-CB 3.32Å; A463-A467 WeakPolarHBondContact O-CB 3.35Å; A463-A467 PolarHBondContact O-N 2.82Å; R464-A467 PolarHBondContact O-N 2.89Å; A467-Y470 PolarHBondContact O-N 2.99Å; A467-Q471 WeakPolarHBondContact O-CB 3.31Å; A467-Q471 PolarHBondContact O-N 3.01Å |
| 468 | E | 71.4 | Confident | 60.4 | Low | 126 Ų | 126 | 125.3 Ų | 125.3 | 59% | 0.589 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.1 | -41.2 | 174.9 | -75.1 | 177.9 | 169.6 | 0 | 0 | 111.8 | R464 Y465 Q471 Q472 | R464-E468 WeakPolarHBondContact O-CG 3.39Å; R464-E468 PolarHBondContact O-N 3.13Å; Y465-E468 PolarHBondContact O-N 2.99Å; E468-Q471 PolarHBondContact O-N 3.3Å; E468-Q472 WeakPolarHBondContact O-CB 3.39Å; E468-Q472 PolarHBondContact O-N 3Å |
| 469 | Y | 72.8 | Confident | 59.9 | Low | 120 Ų | 120 | 127.5 Ų | 127.5 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63 | -44.9 | 177 | -177.1 | -101.2 | 0 | 0 | 0 | 112.7 | Y465 Y466 Q471 Q472 L473 | Y465-Y469 WeakPolarHBondContact O-CB 3.15Å; Y465-Y469 PolarHBondContact O-N 3.22Å; Y466-Y469 PolarHBondContact O-N 3.09Å; Y469-Q471 VanDerWaalsContact C-N 3.33Å; Y469-Q471 PolarHBondContact O-N 3.05Å; Y469-Q472 PolarHBondContact O-N 3.24Å; Y469-L473 HydrophobicContact CD1-CD1 3.95Å; Y469-L473 HydrophobicContact CE1-CD1 3.48Å; Y469-L473 VanDerWaalsContact CE1-CD1 3.48Å; Y469-L473 PolarHBondContact O-N 3.48Å |
| 470 | Y | 66.8 | Low | 59.5 | Low | 148 Ų | 148 | 130.2 Ų | 130.2 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69 | -32.7 | 177 | -83.8 | -69.7 | 0 | 0 | 0 | 112.6 | Y466 A467 Q472 L473 Q474 | Y466-Y470 VanDerWaalsContact O-CD2 3.24Å; Y466-Y470 WeakPolarHBondContact O-CD2 3.49Å; Y466-Y470 PolarHBondContact O-N 2.99Å; A467-Y470 PolarHBondContact O-N 2.99Å; Y470-Q472 VanDerWaalsContact C-N 3.33Å; Y470-L473 HydrophobicContact CD1-CD1 4.48Å; Y470-L473 PolarHBondContact O-N 3.47Å; Y470-Q474 WeakPolarHBondContact O-CG 3.45Å; Y470-Q474 PolarHBondContact O-N 3.09Å |
| 471 | Q | 69.9 | Low | 58.5 | Low | 124 Ų | 124 | 134.1 Ų | 134.1 | 58% | 0.579 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.6 | -34.9 | 174.5 | -164.4 | 173 | 60.5 | 0 | 0 | 111.7 | A467 E468 Y469 Q474 Q475 | A467-Q471 WeakPolarHBondContact O-CB 3.31Å; A467-Q471 PolarHBondContact O-N 3.01Å; E468-Q471 PolarHBondContact O-N 3.3Å; Y469-Q471 VanDerWaalsContact C-N 3.33Å; Y469-Q471 PolarHBondContact O-N 3.05Å; Q471-Q474 PolarHBondContact O-N 2.85Å; Q471-Q475 PolarHBondContact O-N 3.16Å |
| 472 | Q | 66 | Low | 56.7 | Low | 127 Ų | 127 | 133.8 Ų | 133.8 | 59% | 0.593 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -33.8 | 175.6 | -161.9 | 175.2 | 15.2 | 0 | 0 | 112.8 | E468 Y469 Y470 Q475 | E468-Q472 WeakPolarHBondContact O-CB 3.39Å; E468-Q472 PolarHBondContact O-N 3Å; Y469-Q472 PolarHBondContact O-N 3.24Å; Y470-Q472 VanDerWaalsContact C-N 3.33Å; Q472-Q475 PolarHBondContact O-N 3.29Å |
| 473 | L | 60.4 | Low | 55.4 | Low | 100 Ų | 100 | 139.3 Ų | 139.3 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.5 | -34.1 | 172.7 | -87.8 | 155.9 | 0 | 0 | 0 | 112.7 | Y469 Y470 Q475 | Y469-L473 HydrophobicContact CD1-CD1 3.95Å; Y469-L473 HydrophobicContact CE1-CD1 3.48Å; Y469-L473 VanDerWaalsContact CE1-CD1 3.48Å; Y469-L473 PolarHBondContact O-N 3.48Å; Y470-L473 HydrophobicContact CD1-CD1 4.48Å; Y470-L473 PolarHBondContact O-N 3.47Å; L473-Q475 VanDerWaalsContact C-N 3.32Å |
| 474 | Q | 58.9 | Low | 54.1 | Low | 161 Ų | 161 | 142.3 Ų | 142.3 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.5 | -15.8 | 178.1 | -69.6 | -174.8 | 3.2 | 0 | 0 | 113.6 | Y470 Q471 Y476 | Y470-Q474 WeakPolarHBondContact O-CG 3.45Å; Y470-Q474 PolarHBondContact O-N 3.09Å; Q471-Q474 PolarHBondContact O-N 2.85Å; Q474-Y476 PolarHBondContact O-N 3.36Å |
| 475 | Q | 52.6 | Low | 52.2 | Low | 139 Ų | 139 | 140.2 Ų | 140.2 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 0.6 | 174.3 | -77.2 | 178 | -8.8 | 0 | 0 | 114.3 | Q471 Q472 L473 P477 | Q471-Q475 PolarHBondContact O-N 3.16Å; Q472-Q475 PolarHBondContact O-N 3.29Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; Q475-P477 WeakPolarHBondContact O-CD 3.48Å |
| 476 | Y | 45 | Very low | 50 | Low | 205 Ų | 205 | 141.4 Ų | 141.4 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -103.6 | 78.1 | 170.6 | -89.7 | -86.3 | 0 | 0 | 0 | 112.5 | Q474 | Q474-Y476 PolarHBondContact O-N 3.36Š| ||
| 477 | P | 43.3 | Very low | 48.4 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | trans | -82.6 | 115.1 | 158.9 | 30.8 | -26.6 | 0 | 0 | 0 | 110 | Q475 | Q475-P477 WeakPolarHBondContact O-CD 3.48Š| ||
| 478 | Q | 42 | Very low | 46.4 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | trans | 48.2 | 100.9 | 147.4 | -63.3 | -71.7 | -25.7 | 0 | 0 | 118 | ||||
| 479 | F | 37 | Very low | 44.5 | Very low | 180 Ų | 180 | 144 Ų | 144 | 79% | 0.789 | 73% | 0.728 | S | S | * | * | trans | -115.5 | 96.9 | 146.2 | -94.1 | -82.7 | 0 | 0 | 0 | 110.2 | Y481 | F479-Y481 HydrophobicContact CB-CE2 4.28Š| ||
| 480 | Q | 34.4 | Very low | 42.4 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -55.7 | 127.2 | 153 | -81.1 | 167 | -29.6 | 0 | 0 | 109 | ||||
| 481 | Y | 35.1 | Very low | 40.6 | Very low | 204 Ų | 204 | 144.3 Ų | 144.3 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -103.2 | 107.1 | 164.4 | -88.8 | -83.6 | 0 | 0 | 0 | 109.9 | F479 | F479-Y481 HydrophobicContact CB-CE2 4.28Š| ||
| 482 | A | 29.7 | Very low | 38.7 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 483 | Y | 29.9 | Very low | 36.9 | Very low | 229 Ų | 229 | 140.6 Ų | 140.6 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 133.3 | 168.3 | -87.1 | -89.2 | 0 | 0 | 0 | 110.2 | ||
| 484 | P | 37.1 | Very low | 35.4 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 140 | 169.1 | 32.2 | -29.6 | 0 | 0 | 0 | 111.4 | ||
| 485 | S | 26.9 | Very low | 34 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 136.7 | 171 | 48.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 486 | N | 30.6 | Very low | 33.1 | Very low | 170 Ų | 170 | 140 Ų | 140 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -127.8 | 116.6 | 158.3 | -101.7 | -22.2 | 0 | 0 | 0 | 109.8 | ||||
| 487 | T | 33.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -87 | 129.5 | 171 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 488 | V | 31 | Very low | 31.8 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -147.2 | 127.1 | 145.5 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 489 | A | 32.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -69.4 | 145.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 490 | A | 28.4 | Very low | 30.9 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -153.5 | 149 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 491 | I | 29.3 | Very low | 31.2 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -97.4 | 163.1 | -158 | -56 | 151.8 | 0 | 0 | 0 | 109.7 | ||||
| 492 | A | 28.3 | Very low | 30.7 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -54.9 | 152.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 493 | G | 28.8 | Very low | 30.7 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | trans | 150.4 | 116.1 | 152 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 494 | M | 29.3 | Very low | 30.6 | Very low | 189 Ų | 189 | 125.1 Ų | 125.1 | 93% | 0.931 | 83% | 0.832 | S | S | * | * | trans | 74.4 | 129.3 | 142.6 | -59.1 | -178.6 | 87.8 | 0 | 0 | 123.7 | ||||
| 495 | S | 30.2 | Very low | 30.2 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | 10.5 | 144.1 | 147.6 | -66.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 496 | G | 32 | Very low | 30.3 | Very low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 84% | 0.841 | S | S | * | * | trans | 132.2 | 89.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 497 | V | 31.1 | Very low | 30.5 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 80% | 0.8 | 84% | 0.837 | S | S | * | * | trans | 33.4 | 117.9 | 133.7 | -161.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 498 | T | 30.1 | Very low | 30.3 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 87% | 0.871 | 84% | 0.841 | S | S | * | * | trans | 73.5 | 125.1 | 144.9 | 56.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 499 | G | 30.2 | Very low | 30.3 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | 159.6 | 90.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 500 | V | 29.8 | Very low | 30.2 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | trans | -74.6 | 169.3 | 177.2 | -141.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 501 | P | 40.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | cis | -143.4 | 162.9 | 13.8 | 41.9 | -21.9 | 0 | 0 | 0 | 118.2 | ||||
| 502 | A | 26.2 | Very low | 30.4 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 84% | 0.844 | S | S | * | * | trans | 171 | 115.9 | 142 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 503 | M | 29.4 | Very low | 30.5 | Very low | 198 Ų | 198 | 130 Ų | 130 | 98% | 0.975 | 84% | 0.835 | S | S | * | * | trans | -133.4 | 119.7 | 163.8 | -66.5 | -138.3 | 89.5 | 0 | 0 | 109.9 | ||||
| 504 | S | 27.9 | Very low | 30.5 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | -124.3 | 143.4 | 161.3 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 505 | A | 28.3 | Very low | 30.6 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | 60.6 | 106.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 506 | Q | 28.5 | Very low | 30.8 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 141.9 | 151.9 | -68.8 | -150.1 | -34.6 | 0 | 0 | 110.5 | ||
| 507 | P | 34.7 | Very low | 30.7 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -94 | 159 | 166.3 | 35.4 | -29.9 | 0 | 0 | 0 | 113.1 | ||
| 508 | V | 29.5 | Very low | 30.7 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 89% | 0.885 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 137.6 | -168.4 | 175.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 509 | A | 30.2 | Very low | 31.1 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 84% | 0.844 | S | S | * | * | trans | -110 | 150.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 510 | T | 31.4 | Very low | 31 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 90% | 0.896 | 85% | 0.846 | S | S | * | * | trans | -73.7 | 155.3 | -160.8 | 41.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 511 | L | 31 | Very low | 30.9 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 87% | 0.869 | 85% | 0.845 | S | S | * | * | trans | -95.4 | 103.8 | -168.7 | -136.3 | 149.2 | 0 | 0 | 0 | 110.2 | ||||
| 512 | E | 30.8 | Very low | 30.4 | Very low | 200 Ų | 200 | 138.4 Ų | 138.4 | 94% | 0.935 | 85% | 0.847 | S | S | * | * | trans | -153.8 | 63.2 | 167.5 | -126.6 | 166.7 | 165.1 | 0 | 0 | 111.6 | ||||
| 513 | A | 29.9 | Very low | 30.4 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 67% | 0.669 | 85% | 0.846 | S | S | * | * | trans | -150.5 | 121.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 514 | L | 30.2 | Very low | 30.4 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 94% | 0.937 | 84% | 0.842 | S | S | * | * | trans | 159.8 | 91 | 149.8 | -83 | 171.6 | 0 | 0 | 0 | 109.2 | ||||
| 515 | R | 29.7 | Very low | 30.5 | Very low | 242 Ų | 242 | 135 Ų | 135 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | trans | -126.4 | 139.7 | 152.8 | -81.7 | -172.8 | 171.6 | -175.2 | -1.2 | 108.5 | ||||
| 516 | P | 34.6 | Very low | 30.5 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | trans | -83.5 | 149.6 | -162.1 | 31.5 | -34.5 | 0 | 0 | 0 | 114.5 | ||||
| 517 | V | 31 | Very low | 30.6 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | trans | -94 | 138.5 | -178.6 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 518 | V | 29.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 82% | 0.824 | 85% | 0.85 | S | S | * | * | trans | -124.5 | 135.5 | 164.5 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 519 | P | 38.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 85% | 0.848 | S | S | * | * | trans | -89 | 158.7 | -163.9 | 34.9 | -34.2 | 0 | 0 | 0 | 114.6 | ||||
| 520 | A | 29 | Very low | 30.8 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 87% | 0.868 | 85% | 0.847 | S | S | * | * | trans | -92.8 | 159.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 521 | A | 27.8 | Very low | 31.1 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | trans | -153.8 | 134.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 522 | A | 28.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | 65.4 | 99.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 523 | A | 27.4 | Very low | 31.5 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | 80.1 | 115.9 | 70.6 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 524 | V | 29.5 | Very low | 31.8 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 88% | 0.879 | 85% | 0.849 | S | S | * | * | 150.3 | 134.5 | 120.5 | 171.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 525 | A | 29 | Very low | 32.6 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 81% | 0.81 | 84% | 0.844 | S | S | * | * | trans | 85.5 | 111.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 526 | A | 28.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -84.9 | 149 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 527 | A | 30 | Very low | 34.4 | Very low | 106 Ų | 106 | 131 Ų | 131 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | -156.3 | 139.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 528 | M | 32.5 | Very low | 35.1 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 96% | 0.961 | 83% | 0.829 | S | S | * | * | trans | -79 | 147.3 | -163.9 | -60.1 | -170.6 | 157.8 | 0 | 0 | 115.1 | ||||
| 529 | A | 30.4 | Very low | 36.3 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -165.4 | 140 | 146 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 530 | A | 37.2 | Very low | 37.1 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 170.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 531 | P | 36.6 | Very low | 37.8 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 135.4 | -161.3 | 32.7 | -32.3 | 0 | 0 | 0 | 112.7 | ||
| 532 | R | 34.5 | Very low | 38.5 | Very low | 251 Ų | 251 | 134 Ų | 134 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 123.4 | 176.2 | -72.8 | -154.8 | 166.4 | -168.9 | -3.2 | 111.8 | ||
| 533 | V | 37 | Very low | 38.9 | Very low | 138 Ų | 138 | 141 Ų | 141 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 135.8 | 162.8 | 176 | 0 | 0 | 0 | 0 | 109.1 | ||
| 534 | Y | 36.7 | Very low | 39.3 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 121.9 | 178.1 | -175.6 | -93.8 | 0 | 0 | 0 | 110 | ||
| 535 | E | 44.9 | Very low | 39.5 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | trans | -111.6 | 128 | 176.4 | -167.9 | 163.1 | 176.1 | 0 | 0 | 110 | ||||
| 536 | P | 53.8 | Low | 39.8 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 61% | 0.61 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 153.6 | -177.1 | 31.4 | -33.7 | 0 | 0 | 0 | 113.1 | ||
| 537 | P | 49.8 | Very low | 40 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 146.4 | -172.2 | 31.3 | -33.6 | 0 | 0 | 0 | 113.8 | ||
| 538 | L | 45.5 | Very low | 40.4 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 151 | -177.8 | -71.2 | 165.1 | 0 | 0 | 0 | 113.8 | ||
| 539 | P | 53.9 | Low | 40.4 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 157.2 | 178.2 | 32.1 | -34 | 0 | 0 | 0 | 113.8 | ||
| 540 | P | 55.5 | Low | 40.6 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 152.8 | -175.9 | 30.9 | -34.5 | 0 | 0 | 0 | 113.3 | ||
| 541 | P | 44.4 | Very low | 41 | Very low | 131 Ų | 131 | 157.6 Ų | 157.6 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 136.2 | -175.2 | 30 | -33.5 | 0 | 0 | 0 | 112.8 | ||
| 542 | T | 43.3 | Very low | 40.7 | Very low | 137 Ų | 137 | 158.9 Ų | 158.9 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 125.9 | 168.3 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 543 | R | 36.8 | Very low | 40.7 | Very low | 244 Ų | 244 | 152.7 Ų | 152.7 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -159.6 | 113.2 | 151.6 | -134.2 | 175.1 | 177.6 | 167.2 | -0.8 | 113.2 | ||||
| 544 | K | 35 | Very low | 40.6 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 127.6 | 147.9 | -72.9 | 176.8 | 173.4 | 178 | 0 | 107.4 | ||||
| 545 | E | 34.9 | Very low | 40.5 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | 165.8 | 153 | 118 | -89.9 | -175.8 | 172.4 | 0 | 0 | 112.2 | |||||
| 546 | A | 34.8 | Very low | 39.9 | Very low | 85 Ų | 85 | 149.9 Ų | 149.9 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | -82.5 | 167.8 | -162 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 547 | I | 33.1 | Very low | 39.5 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | 165.5 | 121.3 | 122.7 | -82.4 | 156.1 | 0 | 0 | 0 | 111.2 | |||||
| 548 | L | 37.8 | Very low | 39.4 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | 39.6 | 114.8 | 145.4 | -59.5 | 166.1 | 0 | 0 | 0 | 120.5 | ||||
| 549 | H | 32.2 | Very low | 39.2 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | -179.3 | 125.5 | 108.5 | -103.2 | -72.6 | 0 | 0 | 0 | 112.4 | |||||
| 550 | R | 35.7 | Very low | 39.2 | Very low | 220 Ų | 220 | 151.5 Ų | 151.5 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -96.3 | 151.1 | 150.2 | -136 | -170.5 | 161 | 157.8 | -4.4 | 105.9 | ||||
| 551 | P | 44.2 | Very low | 39.3 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | -142 | 156.9 | 64.8 | 33.9 | -12.1 | 0 | 0 | 0 | 113 | |||||
| 552 | E | 31.9 | Very low | 38.9 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | 169.4 | 116.7 | 92.4 | -85.9 | -84.3 | 126.6 | 0 | 0 | 104.5 | |||||
| 553 | L | 33.7 | Very low | 38.7 | Very low | 121 Ų | 121 | 162.7 Ų | 162.7 | 63% | 0.634 | 81% | 0.809 | S | S | * | * | 60.9 | 102.2 | 106.3 | -79.4 | 164.4 | 0 | 0 | 0 | 116.2 | |||||
| 554 | S | 34 | Very low | 38.8 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | -166.1 | 101.4 | 127 | -78.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 555 | L | 35.2 | Very low | 39 | Very low | 138 Ų | 138 | 156.8 Ų | 156.8 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | -70.1 | 130.5 | 166.6 | -78.1 | 138.5 | 0 | 0 | 0 | 109.2 | T557 | L555-T557 HydrophobicContact CD2-CG2 4.41Š| ||
| 556 | H | 33.7 | Very low | 39.3 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | -122.1 | 105.7 | 148.7 | -118.1 | 42 | 0 | 0 | 0 | 108.3 | ||||
| 557 | T | 43.8 | Very low | 39.5 | Very low | 111 Ų | 111 | 158.7 Ų | 158.7 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | trans | -76.9 | 161.6 | 173.3 | 37.1 | 0 | 0 | 0 | 0 | 111.2 | L555 | L555-T557 HydrophobicContact CD2-CG2 4.41Š| ||
| 558 | P | 48.7 | Very low | 39.9 | Very low | 123 Ų | 123 | 158.9 Ų | 158.9 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -89 | 161 | -169.4 | 36.8 | -33.8 | 0 | 0 | 0 | 112.5 | ||||
| 559 | E | 41.7 | Very low | 40.1 | Very low | 190 Ų | 190 | 159.7 Ų | 159.7 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -129.8 | 125.2 | 168.4 | -156.9 | -175.3 | -168.7 | 0 | 0 | 110.7 | ||||
| 560 | P | 53.2 | Low | 40.7 | Very low | 104 Ų | 104 | 158 Ų | 158 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | -122.9 | -179.7 | 129.2 | 40 | -30.1 | 0 | 0 | 0 | 108.3 | |||||
| 561 | P | 56.5 | Low | 41 | Very low | 105 Ų | 105 | 153.2 Ų | 153.2 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | cis | -152.6 | -173.5 | 26.5 | 34.4 | -7.1 | 0 | 0 | 0 | 117.7 | ||||
| 562 | F | 37.6 | Very low | 40.8 | Very low | 199 Ų | 199 | 157.3 Ų | 157.3 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | trans | 68.7 | 107 | 158.6 | -80.7 | -80.5 | 0 | 0 | 0 | 120.8 | ||||
| 563 | R | 39.4 | Very low | 41.6 | Very low | 317 Ų | 317 | 157.8 Ų | 157.8 | 100% | 1.196 | 82% | 0.816 | S | S | * | * | -156.8 | 0 | 107.4 | -134.1 | -175.1 | -167.7 | -172.4 | 4.5 | 112 |
Retrieved 563 of 563 residues in 590.3 ms
(Link to these results)