| 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 | 59.7 | Low | 84.8 | Confident | 161 Ų | 161 | 72.5 Ų | 72.5 | 79% | 0.793 | 38% | 0.381 | S | S | * | . | 0 | 133.9 | 0 | -69.2 | 92.7 | 167.4 | 0 | 0 | 108.9 | F32 P46 N47 | M1-F32 HydrophobicContact CB-CD1 4.06Å; M1-F32 HydrophobicContact CB-CE1 4.39Å; M1-P46 HydrophobicContact CB-CB 4.42Å; M1-P46 HydrophobicContact CE-CB 3.76Å; M1-P46 HydrophobicContact CE-CG 4.4Å; M1-P46 WeakPolarHBondContact CE-O 3.45Å; M1-P46 HydrophobicContact CG-CB 3.75Å; M1-P46 WeakPolarHBondContact CG-O 3.29Å; M1-P46 HydrophobicContact SD-CB 4Å; M1-N47 WeakPolarHBondContact CE-OD1 3.41Å | |||
| 2 | S | 73.4 | Confident | 85 | Confident | 66 Ų | 66 | 77.8 Ų | 77.8 | 46% | 0.462 | 40% | 0.403 | S | S | . | . | trans | -113.3 | 145.4 | 179.1 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | V4 C33 | S2-V4 PolarHBondContact OG-N 3.46Å; S2-C33 WeakPolarHBondContact O-CB 3.49Å; S2-C33 PolarHBondContact O-N 3.31Å | ||
| 3 | A | 84.8 | Confident | 85.1 | Confident | 36 Ų | 36 | 85.5 Ų | 85.5 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -75.8 | -11.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | T20 C21 V31 | A3-T20 HydrophobicContact CB-CG2 4.41Å; A3-T20 WeakPolarHBondContact O-CA 3.29Å; A3-C21 WeakPolarHBondContact O-CB 3.14Å; A3-C21 PolarHBondContact O-N 3.46Å; A3-V31 WeakPolarHBondContact CA-O 3.47Å; A3-V31 VanDerWaalsContact CB-O 3.22Å; A3-V31 WeakPolarHBondContact CB-O 3.47Å |
| 4 | V | 91.1 | Very high | 85.6 | Confident | 69 Ų | 69 | 85.6 Ų | 85.6 | 42% | 0.418 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.2 | 178.6 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | S2 T20 | S2-V4 PolarHBondContact OG-N 3.46Å; V4-T20 HydrophobicContact CG2-CG2 4.23Å |
| 5 | C | 91.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114.2 | 165.2 | -68.7 | 0 | 0 | 0 | 0 | 109.3 | S18 F19 C33 K40 | C5-S18 CarbonylContact O-C 3.58Å; C5-S18 WeakPolarHBondContact O-CA 3.37Å; C5-S18 WeakPolarHBondContact O-CB 3.4Å; C5-F19 HydrophobicContact CB-CD1 3.99Å; C5-F19 HydrophobicContact CB-CD2 3.96Å; C5-F19 HydrophobicContact CB-CE1 3.68Å; C5-F19 HydrophobicContact CB-CE2 3.63Å; C5-F19 HydrophobicContact CB-CG 4.13Å; C5-F19 HydrophobicContact CB-CZ 3.49Å; C5-F19 VanDerWaalsContact CB-CZ 3.49Å; C5-F19 PolarHBondContact N-O 3.48Å; C5-F19 PolarHBondContact O-N 2.96Å; C5-F19 WeakPolarHBondContact SG-CE2 3.25Å; C5-F19 WeakPolarHBondContact SG-CZ 3.3Å; C5-C33 WeakPolarHBondContact CA-SG 3.38Å; C5-C33 HydrophobicContact CB-CB 4.14Å; C5-C33 WeakPolarHBondContact CB-SG 3.28Å; C5-C33 VanDerWaalsContact SG-CA 3.54Å; C5-C33 WeakPolarHBondContact SG-CB 3.25Å; C5-C33 CovalentContact SG-SG 2.03Å; C5-C33 PolarHBondContact SG-SG 3.42Å; C5-K40 HydrophobicContact CB-CB 4.31Å; C5-K40 HydrophobicContact CB-CD 4.26Å |
| 6 | E | 91.1 | Very high | 86.5 | Confident | 145 Ų | 145 | 84.8 Ų | 84.8 | 68% | 0.678 | 43% | 0.431 | S | S | * | . | trans | -62.7 | 157.7 | 171.8 | -65.8 | -179.8 | 170.2 | 0 | 0 | 111.4 | K40 | E6-K40 WeakPolarHBondContact O-CD 3.43Å; E6-K40 PolarHBondContact O-NZ 2.83Å | ||
| 7 | S | 92.1 | Very high | 86.9 | Confident | 53 Ų | 53 | 86.2 Ų | 86.2 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | trans | -58.5 | 153.8 | 175.6 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | V16 K40 | S7-V16 CarbonylContact C-O 3.5Å; S7-V16 WeakPolarHBondContact CA-O 3.28Å; S7-V16 VanDerWaalsContact CB-O 3.24Å; S7-V16 WeakPolarHBondContact CB-O 3.19Å; S7-K40 PolarHBondContact O-NZ 3.24Å; S7-K40 VanDerWaalsContact O-NZ 3.17Å | ||
| 8 | Y | 89.9 | Confident | 87.3 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 12% | 0.118 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 166.7 | 179.1 | 67 | -78.6 | 0 | 0 | 0 | 111.2 | V16 F19 S37 D38 K40 | Y8-V16 HydrophobicContact CD1-CB 4.01Å; Y8-V16 HydrophobicContact CD1-CG1 4.25Å; Y8-V16 HydrophobicContact CE1-CB 3.64Å; Y8-V16 HydrophobicContact CE1-CG1 3.54Å; Y8-V16 HydrophobicContact CE1-CG2 4.25Å; Y8-V16 HydrophobicContact CE2-CB 4.25Å; Y8-V16 HydrophobicContact CE2-CG2 4.07Å; Y8-V16 HydrophobicContact CG-CB 4.47Å; Y8-V16 PolarHBondContact N-O 3.4Å; Y8-V16 PolarHBondContact O-N 3.37Å; Y8-F19 HydrophobicContact CE1-CE1 4.18Å; Y8-S37 VanDerWaalsContact CB-O 3.27Å; Y8-S37 WeakPolarHBondContact CB-O 3.28Å; Y8-D38 VanDerWaalsContact CE2-C 3.46Å; Y8-D38 VanDerWaalsContact CE2-O 3.27Å; Y8-D38 WeakPolarHBondContact CE2-O 3.43Å; Y8-K40 HydrophobicContact CD1-CB 4.1Å; Y8-K40 HydrophobicContact CD1-CD 3.64Å; Y8-K40 HydrophobicContact CD1-CG 3.85Å; Y8-K40 HydrophobicContact CE1-CB 3.7Å; Y8-K40 HydrophobicContact CE1-CD 4.15Å; Y8-K40 HydrophobicContact CE1-CG 3.96Å; Y8-K40 HydrophobicContact CG-CD 4.19Å; Y8-K40 HydrophobicContact CG-CG 4.28Å; Y8-K40 PolarHBondContact OH-N 3.3Å; Y8-K40 PolarHBondContact OH-O 3.15Å |
| 9 | H | 90.5 | Very high | 87.6 | Confident | 113 Ų | 113 | 82.3 Ų | 82.3 | 52% | 0.523 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.5 | 167.6 | -76.9 | -164.7 | 0 | 0 | 0 | 109.2 | V14 F15 | H9-V14 WeakPolarHBondContact CA-O 3.31Å; H9-F15 AromaticContact CD2-CD2 3.54Å; H9-F15 AromaticContact NE2-CD2 3.46Å; H9-F15 WeakPolarHBondContact NE2-CD2 3.34Å |
| 10 | S | 86.9 | Confident | 87.9 | Confident | 21 Ų | 21 | 82.5 Ų | 82.5 | 15% | 0.147 | 43% | 0.43 | C | S | . | . | trans | -65.4 | 169.7 | 172.1 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | E12 K13 V14 D38 | S10-E12 WeakPolarHBondContact CB-OE2 3.17Å; S10-E12 PolarHBondContact O-N 3.06Å; S10-E12 PolarHBondContact OG-OE2 3.09Å; S10-K13 VanDerWaalsContact O-CA 3.32Å; S10-K13 WeakPolarHBondContact O-CA 3.43Å; S10-K13 PolarHBondContact O-N 3.18Å; S10-V14 PolarHBondContact N-O 3.11Å; S10-D38 WeakPolarHBondContact CA-O 3.48Å | ||
| 11 | R | 82.4 | Confident | 88.1 | Confident | 103 Ų | 103 | 79 Ų | 79 | 39% | 0.389 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.7 | 171.9 | -67.6 | -167.6 | -162.4 | 142.2 | 28.4 | 113.6 | K13 D38 Y54 | R11-K13 PolarHBondContact O-N 3.22Å; R11-D38 WeakPolarHBondContact CD-OD2 3.47Å; R11-D38 HydrophobicContact CG-CB 4.35Å; R11-D38 WeakPolarHBondContact CG-OD2 3.34Å; R11-D38 IonicContact CZ-OD2 3.87Å; R11-D38 IonicContact NE-OD2 2.87Å; R11-D38 PolarHBondContact NE-OD2 3.38Å; R11-Y54 VanDerWaalsContact CZ-CE1 3.44Å |
| 12 | E | 87.2 | Confident | 89.7 | Confident | 137 Ų | 137 | 74.2 Ų | 74.2 | 64% | 0.64 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 7.1 | 176.3 | -57.5 | 70.6 | -147.1 | 0 | 0 | 112.1 | S10 V14 | S10-E12 WeakPolarHBondContact CB-OE2 3.17Å; S10-E12 PolarHBondContact O-N 3.06Å; S10-E12 PolarHBondContact OG-OE2 3.09Å; E12-V14 HydrophobicContact CB-CG2 4.02Å; E12-V14 PolarHBondContact O-N 3.17Å |
| 13 | K | 85.6 | Confident | 90.4 | Very high | 178 Ų | 178 | 77.7 Ų | 77.7 | 77% | 0.774 | 40% | 0.4 | S | S | * | . | trans | 59.7 | 24.2 | -175.4 | -55.8 | 178.9 | -179.3 | 176 | 0 | 113.6 | S10 R11 | S10-K13 VanDerWaalsContact O-CA 3.32Å; S10-K13 WeakPolarHBondContact O-CA 3.43Å; S10-K13 PolarHBondContact O-N 3.18Å; R11-K13 PolarHBondContact O-N 3.22Å | ||
| 14 | V | 92.1 | Very high | 90.5 | Very high | 86 Ų | 86 | 81.2 Ų | 81.2 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | trans | -83.8 | 126.8 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | H9 S10 E12 V16 | H9-V14 WeakPolarHBondContact CA-O 3.31Å; S10-V14 PolarHBondContact N-O 3.11Å; E12-V14 HydrophobicContact CB-CG2 4.02Å; E12-V14 PolarHBondContact O-N 3.17Å; V14-V16 PolarHBondContact O-N 3.23Å | ||
| 15 | F | 93.1 | Very high | 90.1 | Very high | 118 Ų | 118 | 82.3 Ų | 82.3 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 125 | 173.3 | -179.7 | -93.5 | 0 | 0 | 0 | 109.7 | H9 D17 | H9-F15 AromaticContact CD2-CD2 3.54Å; H9-F15 AromaticContact NE2-CD2 3.46Å; H9-F15 WeakPolarHBondContact NE2-CD2 3.34Å; F15-D17 HydrophobicContact CE1-CB 4.07Å |
| 16 | V | 92.4 | Very high | 89.6 | Confident | 41 Ų | 41 | 84.6 Ų | 84.6 | 25% | 0.248 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.8 | 173 | -177.7 | 0 | 0 | 0 | 0 | 107 | S7 Y8 V14 | S7-V16 CarbonylContact C-O 3.5Å; S7-V16 WeakPolarHBondContact CA-O 3.28Å; S7-V16 VanDerWaalsContact CB-O 3.24Å; S7-V16 WeakPolarHBondContact CB-O 3.19Å; Y8-V16 HydrophobicContact CD1-CB 4.01Å; Y8-V16 HydrophobicContact CD1-CG1 4.25Å; Y8-V16 HydrophobicContact CE1-CB 3.64Å; Y8-V16 HydrophobicContact CE1-CG1 3.54Å; Y8-V16 HydrophobicContact CE1-CG2 4.25Å; Y8-V16 HydrophobicContact CE2-CB 4.25Å; Y8-V16 HydrophobicContact CE2-CG2 4.07Å; Y8-V16 HydrophobicContact CG-CB 4.47Å; Y8-V16 PolarHBondContact N-O 3.4Å; Y8-V16 PolarHBondContact O-N 3.37Å; V14-V16 PolarHBondContact O-N 3.23Å |
| 17 | D | 94.4 | Very high | 89.3 | Confident | 108 Ų | 108 | 83.7 Ų | 83.7 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | trans | -68.4 | 160.6 | 178.7 | -163.6 | 15.8 | 0 | 0 | 0 | 111.5 | F15 | F15-D17 HydrophobicContact CE1-CB 4.07Š| ||
| 18 | S | 93.6 | Very high | 89.1 | Confident | 63 Ų | 63 | 85.9 Ų | 85.9 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | trans | -60.8 | 144.1 | 175.7 | 65 | 0 | 0 | 0 | 0 | 111.3 | C5 | C5-S18 CarbonylContact O-C 3.58Å; C5-S18 WeakPolarHBondContact O-CA 3.37Å; C5-S18 WeakPolarHBondContact O-CB 3.4Å | ||
| 19 | F | 92.6 | Very high | 89.1 | Confident | 36 Ų | 36 | 87.6 Ų | 87.6 | 16% | 0.158 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 159.5 | 178.1 | 62.9 | -91.9 | 0 | 0 | 0 | 111.3 | C5 Y8 K40 | C5-F19 HydrophobicContact CB-CD1 3.99Å; C5-F19 HydrophobicContact CB-CD2 3.96Å; C5-F19 HydrophobicContact CB-CE1 3.68Å; C5-F19 HydrophobicContact CB-CE2 3.63Å; C5-F19 HydrophobicContact CB-CG 4.13Å; C5-F19 HydrophobicContact CB-CZ 3.49Å; C5-F19 VanDerWaalsContact CB-CZ 3.49Å; C5-F19 PolarHBondContact N-O 3.48Å; C5-F19 PolarHBondContact O-N 2.96Å; C5-F19 WeakPolarHBondContact SG-CE2 3.25Å; C5-F19 WeakPolarHBondContact SG-CZ 3.3Å; Y8-F19 HydrophobicContact CE1-CE1 4.18Å; F19-K40 HydrophobicContact CE1-CB 4.44Å; F19-K40 HydrophobicContact CZ-CB 4.19Å |
| 20 | T | 93.4 | Very high | 89.1 | Confident | 86 Ų | 86 | 82.6 Ų | 82.6 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.3 | 178.7 | -48.2 | 0 | 0 | 0 | 0 | 110.1 | A3 V4 | A3-T20 HydrophobicContact CB-CG2 4.41Å; A3-T20 WeakPolarHBondContact O-CA 3.29Å; V4-T20 HydrophobicContact CG2-CG2 4.23Å |
| 21 | C | 92.6 | Very high | 89.4 | Confident | 9 Ų | 9 | 84.4 Ų | 84.4 | 6% | 0.061 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -90.9 | 141.8 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | A3 A30 C42 | A3-C21 WeakPolarHBondContact O-CB 3.14Å; A3-C21 PolarHBondContact O-N 3.46Å; C21-A30 WeakPolarHBondContact CB-O 3.24Å; C21-C42 WeakPolarHBondContact CA-SG 3.4Å; C21-C42 HydrophobicContact CB-CB 3.78Å; C21-C42 WeakPolarHBondContact CB-SG 3.28Å; C21-C42 WeakPolarHBondContact SG-CA 3.28Å; C21-C42 WeakPolarHBondContact SG-CB 3.29Å; C21-C42 CovalentContact SG-SG 2.04Å; C21-C42 PolarHBondContact SG-SG 2.82Å |
| 22 | P | 92.6 | Very high | 89.7 | Confident | 61 Ų | 61 | 82.2 Ų | 82.2 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | S | Bend | cis | -78.6 | 152.4 | -2.3 | 32 | -33.7 | 0 | 0 | 0 | 112.4 | E27 A30 | P22-E27 VanDerWaalsContact CB-O 3.29Å; P22-E27 WeakPolarHBondContact CB-O 3.32Å; P22-A30 WeakPolarHBondContact CA-O 3.24Å |
| 23 | K | 88.5 | Confident | 89.9 | Confident | 139 Ų | 139 | 76.8 Ų | 76.8 | 60% | 0.604 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 149.4 | 178.3 | -148.7 | 170.8 | -171.9 | 172.9 | 0 | 110.4 | G25 G26 | K23-G25 PolarHBondContact O-N 3.42Å; K23-G25 VanDerWaalsContact O-N 3.16Å; K23-G26 PolarHBondContact O-N 3.38Å |
| 24 | A | 86.8 | Confident | 90.1 | Very high | 109 Ų | 109 | 68.3 Ų | 68.3 | 90% | 0.901 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 120.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G26 | A24-G26 VanDerWaalsContact C-N 3.32Š|
| 25 | G | 83.6 | Confident | 89.8 | Confident | 93 Ų | 93 | 64.3 Ų | 64.3 | 96% | 0.959 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K23 | K23-G25 PolarHBondContact O-N 3.42Å; K23-G25 VanDerWaalsContact O-N 3.16Å |
| 26 | G | 80.2 | Confident | 89.4 | Confident | 47 Ų | 47 | 60 Ų | 60 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -89 | -177.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | K23 A24 | K23-G26 PolarHBondContact O-N 3.38Å; A24-G26 VanDerWaalsContact C-N 3.32Å |
| 27 | E | 85.8 | Confident | 89 | Confident | 126 Ų | 126 | 60.1 Ų | 60.1 | 59% | 0.589 | 38% | 0.384 | S | S | * | . | trans | -67.8 | 132.7 | 176.9 | -161.9 | 175 | -177.3 | 0 | 0 | 110.9 | P22 T29 A30 | P22-E27 VanDerWaalsContact CB-O 3.29Å; P22-E27 WeakPolarHBondContact CB-O 3.32Å; E27-T29 VanDerWaalsContact CD-OG1 3.32Å; E27-T29 VanDerWaalsContact CG-OG1 3.28Å; E27-T29 WeakPolarHBondContact CG-OG1 3.44Å; E27-T29 PolarHBondContact O-N 2.83Å; E27-T29 PolarHBondContact OE1-OG1 3.08Å; E27-A30 HydrophobicContact CB-CB 4.22Å; E27-A30 WeakPolarHBondContact O-CB 3.25Å; E27-A30 PolarHBondContact O-N 2.8Å | ||
| 28 | S | 87.5 | Confident | 88.6 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 69% | 0.692 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.2 | -176 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | A30 | S28-A30 VanDerWaalsContact C-N 3.34Š|
| 29 | T | 89.1 | Confident | 88.3 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.5 | 177.3 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | E27 V31 D44 | E27-T29 VanDerWaalsContact CD-OG1 3.32Å; E27-T29 VanDerWaalsContact CG-OG1 3.28Å; E27-T29 WeakPolarHBondContact CG-OG1 3.44Å; E27-T29 PolarHBondContact O-N 2.83Å; E27-T29 PolarHBondContact OE1-OG1 3.08Å; T29-V31 PolarHBondContact O-N 2.95Å; T29-D44 VanDerWaalsContact CB-CG 3.47Å; T29-D44 WeakPolarHBondContact CB-OD2 3.47Å; T29-D44 VanDerWaalsContact O-OD1 3.11Å; T29-D44 PolarHBondContact OG1-OD1 3.36Å; T29-D44 PolarHBondContact OG1-OD2 3.15Å |
| 30 | A | 91 | Very high | 88.1 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 7% | 0.066 | 35% | 0.353 | C | S | . | . | trans | -80 | 66.4 | -177 | 0 | 0 | 0 | 0 | 0 | 110.9 | C21 P22 E27 S28 C42 C43 D44 | C21-A30 WeakPolarHBondContact CB-O 3.24Å; P22-A30 WeakPolarHBondContact CA-O 3.24Å; E27-A30 HydrophobicContact CB-CB 4.22Å; E27-A30 WeakPolarHBondContact O-CB 3.25Å; E27-A30 PolarHBondContact O-N 2.8Å; S28-A30 VanDerWaalsContact C-N 3.34Å; A30-C42 HydrophobicContact CB-CB 3.83Å; A30-C42 WeakPolarHBondContact O-CB 3.33Å; A30-C43 CarbonylContact C-O 3.58Å; A30-C43 WeakPolarHBondContact CA-O 3.17Å; A30-D44 WeakPolarHBondContact CA-OD1 3.4Å; A30-D44 WeakPolarHBondContact CB-OD1 3.32Å; A30-D44 PolarHBondContact N-OD1 3.11Å | ||
| 31 | V | 92 | Very high | 87.9 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 35% | 0.352 | 35% | 0.347 | S | S | . | . | trans | -94 | -4.1 | -172.5 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | A3 T29 C43 | A3-V31 WeakPolarHBondContact CA-O 3.47Å; A3-V31 VanDerWaalsContact CB-O 3.22Å; A3-V31 WeakPolarHBondContact CB-O 3.47Å; T29-V31 PolarHBondContact O-N 2.95Å; V31-C43 PolarHBondContact N-O 2.79Å | ||
| 32 | F | 90.6 | Very high | 87.8 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 25% | 0.254 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 145.7 | -178.5 | -57.8 | -70.9 | 0 | 0 | 0 | 112.3 | M1 C34 C42 C43 D44 P46 | M1-F32 HydrophobicContact CB-CD1 4.06Å; M1-F32 HydrophobicContact CB-CE1 4.39Å; F32-C34 PolarHBondContact O-SG 3.41Å; F32-C42 CarbonylContact O-C 3.22Å; F32-C42 VanDerWaalsContact O-CA 3.31Å; F32-C42 WeakPolarHBondContact O-CA 3.48Å; F32-C43 WeakPolarHBondContact CB-O 2.98Å; F32-C43 PolarHBondContact N-O 3.28Å; F32-C43 PolarHBondContact O-N 2.7Å; F32-D44 WeakPolarHBondContact CD2-O 3.41Å; F32-D44 WeakPolarHBondContact CE2-O 3.39Å; F32-P46 HydrophobicContact CD1-CB 3.9Å; F32-P46 HydrophobicContact CD2-CB 4.07Å; F32-P46 HydrophobicContact CE1-CB 3.9Å; F32-P46 HydrophobicContact CE2-CB 4.07Å; F32-P46 HydrophobicContact CE2-CG 4.29Å; F32-P46 HydrophobicContact CG-CB 3.98Å; F32-P46 HydrophobicContact CZ-CB 3.98Å; F32-P46 HydrophobicContact CZ-CG 4.34Å |
| 33 | C | 90.9 | Very high | 87.7 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.7 | 167.7 | -169.6 | 0 | 0 | 0 | 0 | 110.7 | S2 C5 | S2-C33 WeakPolarHBondContact O-CB 3.49Å; S2-C33 PolarHBondContact O-N 3.31Å; C5-C33 WeakPolarHBondContact CA-SG 3.38Å; C5-C33 HydrophobicContact CB-CB 4.14Å; C5-C33 WeakPolarHBondContact CB-SG 3.28Å; C5-C33 VanDerWaalsContact SG-CA 3.54Å; C5-C33 WeakPolarHBondContact SG-CB 3.25Å; C5-C33 CovalentContact SG-SG 2.03Å; C5-C33 PolarHBondContact SG-SG 3.42Å |
| 34 | C | 89.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 173.9 | -172.8 | -49 | 0 | 0 | 0 | 0 | 111.4 | F32 K40 Y41 C43 D45 | F32-C34 PolarHBondContact O-SG 3.41Å; C34-K40 WeakPolarHBondContact O-CA 3.29Å; C34-Y41 HydrophobicContact CB-CD2 4.35Å; C34-Y41 HydrophobicContact CB-CE2 3.99Å; C34-Y41 PolarHBondContact N-O 3.37Å; C34-Y41 PolarHBondContact O-N 3.32Å; C34-C43 HydrophobicContact CB-CB 3.68Å; C34-C43 WeakPolarHBondContact CB-SG 3.32Å; C34-C43 WeakPolarHBondContact SG-CB 3.28Å; C34-C43 CovalentContact SG-SG 2.01Å; C34-C43 PolarHBondContact SG-SG 2.78Å; C34-D45 PolarHBondContact SG-O 2.66Å |
| 35 | G | 86.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.8 | -146.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L39 S48 F50 | G35-L39 WeakPolarHBondContact CA-O 3.34Å; G35-S48 PolarHBondContact N-O 2.85Å; G35-F50 PolarHBondContact O-N 3.31Å |
| 36 | F | 84.2 | Confident | 87.4 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 166.7 | -172.1 | -62 | -86.4 | 0 | 0 | 0 | 110.7 | D38 L39 K40 F50 Y52 Y54 M57 | F36-D38 VanDerWaalsContact CB-OD1 3.25Å; F36-D38 WeakPolarHBondContact CB-OD1 3.34Å; F36-D38 PolarHBondContact O-N 2.7Å; F36-L39 PolarHBondContact N-O 2.93Å; F36-L39 CarbonylContact O-C 3.52Å; F36-L39 VanDerWaalsContact O-C 3.22Å; F36-L39 PolarHBondContact O-N 2.82Å; F36-L39 VanDerWaalsContact O-N 3.1Å; F36-K40 WeakPolarHBondContact O-CG 3.4Å; F36-F50 WeakPolarHBondContact CA-O 3.28Å; F36-F50 HydrophobicContact CD1-CB 3.75Å; F36-F50 HydrophobicContact CE1-CB 3.6Å; F36-F50 HydrophobicContact CE1-CD2 4.28Å; F36-F50 HydrophobicContact CE1-CG 4.12Å; F36-F50 HydrophobicContact CZ-CB 4.39Å; F36-F50 HydrophobicContact CZ-CD2 4.26Å; F36-Y52 WeakPolarHBondContact CB-O 3.33Å; F36-Y52 VanDerWaalsContact CD1-O 3.27Å; F36-Y52 WeakPolarHBondContact CD1-O 3.41Å; F36-Y54 AromaticContact CD2-CD2 3.87Å; F36-Y54 HydrophobicContact CD2-CD2 3.87Å; F36-Y54 HydrophobicContact CE1-CD2 4.45Å; F36-Y54 AromaticContact CE2-CD2 3.58Å; F36-Y54 HydrophobicContact CE2-CD2 3.58Å; F36-Y54 HydrophobicContact CE2-CE2 4.27Å; F36-Y54 HydrophobicContact CG-CD2 4.44Å; F36-Y54 AromaticContact CZ-CD2 3.89Å; F36-Y54 HydrophobicContact CZ-CD2 3.89Å; F36-M57 HydrophobicContact CE1-SD 3.7Å; F36-M57 HydrophobicContact CZ-SD 4.13Å |
| 37 | S | 84.1 | Confident | 87.3 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.6 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | Y8 E53 | Y8-S37 VanDerWaalsContact CB-O 3.27Å; Y8-S37 WeakPolarHBondContact CB-O 3.28Å; S37-E53 WeakPolarHBondContact OG-CG 3.39Å; S37-E53 PolarHBondContact OG-N 3.49Å |
| 38 | D | 85.2 | Confident | 86.8 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -0.1 | 177.8 | 64.7 | -45.8 | 0 | 0 | 0 | 113.7 | Y8 S10 R11 F36 E53 Y54 | Y8-D38 VanDerWaalsContact CE2-C 3.46Å; Y8-D38 VanDerWaalsContact CE2-O 3.27Å; Y8-D38 WeakPolarHBondContact CE2-O 3.43Å; S10-D38 WeakPolarHBondContact CA-O 3.48Å; R11-D38 WeakPolarHBondContact CD-OD2 3.47Å; R11-D38 HydrophobicContact CG-CB 4.35Å; R11-D38 WeakPolarHBondContact CG-OD2 3.34Å; R11-D38 IonicContact CZ-OD2 3.87Å; R11-D38 IonicContact NE-OD2 2.87Å; R11-D38 PolarHBondContact NE-OD2 3.38Å; F36-D38 VanDerWaalsContact CB-OD1 3.25Å; F36-D38 WeakPolarHBondContact CB-OD1 3.34Å; F36-D38 PolarHBondContact O-N 2.7Å; D38-E53 WeakPolarHBondContact OD1-CA 3.2Å; D38-Y54 PolarHBondContact OD1-N 3.34Å |
| 39 | L | 86.9 | Confident | 86.2 | Confident | 70 Ų | 70 | 47 Ų | 47 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 86.5 | 180 | -174.5 | 73.9 | 0 | 0 | 0 | 110.5 | G35 F36 | G35-L39 WeakPolarHBondContact CA-O 3.34Å; F36-L39 PolarHBondContact N-O 2.93Å; F36-L39 CarbonylContact O-C 3.52Å; F36-L39 VanDerWaalsContact O-C 3.22Å; F36-L39 PolarHBondContact O-N 2.82Å; F36-L39 VanDerWaalsContact O-N 3.1Å |
| 40 | K | 89.5 | Confident | 85.5 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137.2 | 177.8 | -56.2 | 178.8 | -167 | 166.1 | 0 | 110.7 | C5 E6 S7 Y8 F19 C34 F36 | C5-K40 HydrophobicContact CB-CB 4.31Å; C5-K40 HydrophobicContact CB-CD 4.26Å; E6-K40 WeakPolarHBondContact O-CD 3.43Å; E6-K40 PolarHBondContact O-NZ 2.83Å; S7-K40 PolarHBondContact O-NZ 3.24Å; S7-K40 VanDerWaalsContact O-NZ 3.17Å; Y8-K40 HydrophobicContact CD1-CB 4.1Å; Y8-K40 HydrophobicContact CD1-CD 3.64Å; Y8-K40 HydrophobicContact CD1-CG 3.85Å; Y8-K40 HydrophobicContact CE1-CB 3.7Å; Y8-K40 HydrophobicContact CE1-CD 4.15Å; Y8-K40 HydrophobicContact CE1-CG 3.96Å; Y8-K40 HydrophobicContact CG-CD 4.19Å; Y8-K40 HydrophobicContact CG-CG 4.28Å; Y8-K40 PolarHBondContact OH-N 3.3Å; Y8-K40 PolarHBondContact OH-O 3.15Å; F19-K40 HydrophobicContact CE1-CB 4.44Å; F19-K40 HydrophobicContact CZ-CB 4.19Å; C34-K40 WeakPolarHBondContact O-CA 3.29Å; F36-K40 WeakPolarHBondContact O-CG 3.4Å |
| 41 | Y | 88.3 | Confident | 84.4 | Confident | 105 Ų | 105 | 52.5 Ų | 52.5 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160.9 | 176.6 | 60.9 | -87.8 | 0 | 0 | 0 | 111.4 | C34 C43 | C34-Y41 HydrophobicContact CB-CD2 4.35Å; C34-Y41 HydrophobicContact CB-CE2 3.99Å; C34-Y41 PolarHBondContact N-O 3.37Å; C34-Y41 PolarHBondContact O-N 3.32Å; Y41-C43 HydrophobicContact CD2-CB 4.16Å; Y41-C43 HydrophobicContact CE2-CB 3.84Å |
| 42 | C | 91.8 | Very high | 83.3 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 22% | 0.216 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.6 | 176 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | C21 A30 F32 | C21-C42 WeakPolarHBondContact CA-SG 3.4Å; C21-C42 HydrophobicContact CB-CB 3.78Å; C21-C42 WeakPolarHBondContact CB-SG 3.28Å; C21-C42 WeakPolarHBondContact SG-CA 3.28Å; C21-C42 WeakPolarHBondContact SG-CB 3.29Å; C21-C42 CovalentContact SG-SG 2.04Å; C21-C42 PolarHBondContact SG-SG 2.82Å; A30-C42 HydrophobicContact CB-CB 3.83Å; A30-C42 WeakPolarHBondContact O-CB 3.33Å; F32-C42 CarbonylContact O-C 3.22Å; F32-C42 VanDerWaalsContact O-CA 3.31Å; F32-C42 WeakPolarHBondContact O-CA 3.48Å |
| 43 | C | 90.9 | Very high | 82.1 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 169.6 | 174.6 | 91.1 | 0 | 0 | 0 | 0 | 112.6 | A30 V31 F32 C34 Y41 D45 | A30-C43 CarbonylContact C-O 3.58Å; A30-C43 WeakPolarHBondContact CA-O 3.17Å; V31-C43 PolarHBondContact N-O 2.79Å; F32-C43 WeakPolarHBondContact CB-O 2.98Å; F32-C43 PolarHBondContact N-O 3.28Å; F32-C43 PolarHBondContact O-N 2.7Å; C34-C43 HydrophobicContact CB-CB 3.68Å; C34-C43 WeakPolarHBondContact CB-SG 3.32Å; C34-C43 WeakPolarHBondContact SG-CB 3.28Å; C34-C43 CovalentContact SG-SG 2.01Å; C34-C43 PolarHBondContact SG-SG 2.78Å; Y41-C43 HydrophobicContact CD2-CB 4.16Å; Y41-C43 HydrophobicContact CE2-CB 3.84Å; C43-D45 PolarHBondContact SG-O 2.89Å |
| 44 | D | 90.3 | Very high | 81 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -89.9 | -16.8 | -175.1 | -61.1 | 7 | 0 | 0 | 0 | 112.5 | T29 A30 F32 | T29-D44 VanDerWaalsContact CB-CG 3.47Å; T29-D44 WeakPolarHBondContact CB-OD2 3.47Å; T29-D44 VanDerWaalsContact O-OD1 3.11Å; T29-D44 PolarHBondContact OG1-OD1 3.36Å; T29-D44 PolarHBondContact OG1-OD2 3.15Å; A30-D44 WeakPolarHBondContact CA-OD1 3.4Å; A30-D44 WeakPolarHBondContact CB-OD1 3.32Å; A30-D44 PolarHBondContact N-OD1 3.11Å; F32-D44 WeakPolarHBondContact CD2-O 3.41Å; F32-D44 WeakPolarHBondContact CE2-O 3.39Å |
| 45 | D | 85.7 | Confident | 79.9 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 43% | 0.428 | 32% | 0.323 | S | S | . | . | trans | -103.5 | 115.9 | -176.5 | -168 | -41 | 0 | 0 | 0 | 111.4 | C34 C43 N47 S48 | C34-D45 PolarHBondContact SG-O 2.66Å; C43-D45 PolarHBondContact SG-O 2.89Å; D45-N47 PolarHBondContact O-N 2.86Å; D45-N47 VanDerWaalsContact O-N 3.16Å; D45-N47 WeakPolarHBondContact OD1-CB 3.36Å; D45-N47 PolarHBondContact OD1-N 3.27Å; D45-S48 PolarHBondContact O-N 2.91Å | ||
| 46 | P | 76.6 | Confident | 79 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.6 | -176.3 | 33.5 | -39.2 | 0 | 0 | 0 | 113.9 | M1 F32 | M1-P46 HydrophobicContact CB-CB 4.42Å; M1-P46 HydrophobicContact CE-CB 3.76Å; M1-P46 HydrophobicContact CE-CG 4.4Å; M1-P46 WeakPolarHBondContact CE-O 3.45Å; M1-P46 HydrophobicContact CG-CB 3.75Å; M1-P46 WeakPolarHBondContact CG-O 3.29Å; M1-P46 HydrophobicContact SD-CB 4Å; F32-P46 HydrophobicContact CD1-CB 3.9Å; F32-P46 HydrophobicContact CD2-CB 4.07Å; F32-P46 HydrophobicContact CE1-CB 3.9Å; F32-P46 HydrophobicContact CE2-CB 4.07Å; F32-P46 HydrophobicContact CE2-CG 4.29Å; F32-P46 HydrophobicContact CG-CB 3.98Å; F32-P46 HydrophobicContact CZ-CB 3.98Å; F32-P46 HydrophobicContact CZ-CG 4.34Å |
| 47 | N | 77.4 | Confident | 78.4 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -2.3 | -179.6 | -72.1 | -17.2 | 0 | 0 | 0 | 114.3 | M1 D45 F49 | M1-N47 WeakPolarHBondContact CE-OD1 3.41Å; D45-N47 PolarHBondContact O-N 2.86Å; D45-N47 VanDerWaalsContact O-N 3.16Å; D45-N47 WeakPolarHBondContact OD1-CB 3.36Å; D45-N47 PolarHBondContact OD1-N 3.27Å; N47-F49 PolarHBondContact O-N 3.21Å |
| 48 | S | 74.8 | Confident | 77.8 | Confident | 37 Ų | 37 | 79.8 Ų | 79.8 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | trans | -84.7 | 24.4 | -178.7 | -73.6 | 0 | 0 | 0 | 0 | 114.3 | G35 D45 | G35-S48 PolarHBondContact N-O 2.85Å; D45-S48 PolarHBondContact O-N 2.91Å | ||
| 49 | F | 75.1 | Confident | 77.4 | Confident | 91 Ų | 91 | 88.1 Ų | 88.1 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.3 | 174.7 | -174.8 | -102 | 0 | 0 | 0 | 111.1 | N47 P51 | N47-F49 PolarHBondContact O-N 3.21Å; F49-P51 HydrophobicContact CE1-CB 4.01Å |
| 50 | F | 74.4 | Confident | 77.1 | Confident | 104 Ų | 104 | 91 Ų | 91 | 46% | 0.456 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 110.8 | 178.6 | -64.3 | -83.1 | 0 | 0 | 0 | 109 | G35 F36 Y52 | G35-F50 PolarHBondContact O-N 3.31Å; F36-F50 WeakPolarHBondContact CA-O 3.28Å; F36-F50 HydrophobicContact CD1-CB 3.75Å; F36-F50 HydrophobicContact CE1-CB 3.6Å; F36-F50 HydrophobicContact CE1-CD2 4.28Å; F36-F50 HydrophobicContact CE1-CG 4.12Å; F36-F50 HydrophobicContact CZ-CB 4.39Å; F36-F50 HydrophobicContact CZ-CD2 4.26Å; F50-Y52 PolarHBondContact O-N 3.5Å |
| 51 | P | 67.8 | Low | 76.8 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 55% | 0.552 | 45% | 0.451 | S | S | * | . | trans | -76.1 | 37.2 | -175.8 | 33.4 | -37.6 | 0 | 0 | 0 | 113.4 | F49 | F49-P51 HydrophobicContact CE1-CB 4.01Š| ||
| 52 | Y | 69.6 | Low | 76.8 | Confident | 159 Ų | 159 | 91.7 Ų | 91.7 | 62% | 0.624 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -121.9 | 148.2 | 179 | -62.9 | -72 | 0 | 0 | 0 | 109.3 | F36 F50 Y54 | F36-Y52 WeakPolarHBondContact CB-O 3.33Å; F36-Y52 VanDerWaalsContact CD1-O 3.27Å; F36-Y52 WeakPolarHBondContact CD1-O 3.41Å; F50-Y52 PolarHBondContact O-N 3.5Å; Y52-Y54 PolarHBondContact O-N 3.29Å |
| 53 | E | 65.3 | Low | 76.6 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | trans | -71.1 | 132 | 168.7 | -49.8 | -168.6 | 131 | 0 | 0 | 108.4 | S37 D38 G55 Y56 | S37-E53 WeakPolarHBondContact OG-CG 3.39Å; S37-E53 PolarHBondContact OG-N 3.49Å; D38-E53 WeakPolarHBondContact OD1-CA 3.2Å; E53-G55 PolarHBondContact O-N 3.36Å; E53-G55 VanDerWaalsContact O-N 3.12Å; E53-Y56 HydrophobicContact CB-CD2 3.66Å; E53-Y56 HydrophobicContact CB-CE2 3.93Å; E53-Y56 HydrophobicContact CG-CD2 4.1Å; E53-Y56 HydrophobicContact CG-CE2 3.9Å; E53-Y56 PolarHBondContact O-N 2.82Å; E53-Y56 VanDerWaalsContact OE2-CE2 3.24Å; E53-Y56 WeakPolarHBondContact OE2-CE2 3.31Å | ||
| 54 | Y | 67.1 | Low | 76.6 | Confident | 96 Ų | 96 | 94 Ų | 94 | 38% | 0.376 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.9 | -27.8 | 176.7 | -176.4 | -76.9 | 0 | 0 | 0 | 111.9 | R11 F36 D38 Y52 Y56 M57 W58 | R11-Y54 VanDerWaalsContact CZ-CE1 3.44Å; F36-Y54 AromaticContact CD2-CD2 3.87Å; F36-Y54 HydrophobicContact CD2-CD2 3.87Å; F36-Y54 HydrophobicContact CE1-CD2 4.45Å; F36-Y54 AromaticContact CE2-CD2 3.58Å; F36-Y54 HydrophobicContact CE2-CD2 3.58Å; F36-Y54 HydrophobicContact CE2-CE2 4.27Å; F36-Y54 HydrophobicContact CG-CD2 4.44Å; F36-Y54 AromaticContact CZ-CD2 3.89Å; F36-Y54 HydrophobicContact CZ-CD2 3.89Å; D38-Y54 PolarHBondContact OD1-N 3.34Å; Y52-Y54 PolarHBondContact O-N 3.29Å; Y54-Y56 PolarHBondContact O-N 2.89Å; Y54-M57 PolarHBondContact O-N 3.43Å; Y54-M57 VanDerWaalsContact O-N 3.07Å; Y54-W58 PolarHBondContact O-N 2.86Å |
| 55 | G | 66.8 | Low | 76.8 | Confident | 26 Ų | 26 | 96.6 Ų | 96.6 | 27% | 0.268 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52 | -37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E53 W58 W59 | E53-G55 PolarHBondContact O-N 3.36Å; E53-G55 VanDerWaalsContact O-N 3.12Å; G55-W58 PolarHBondContact O-N 3.23Å; G55-W59 PolarHBondContact O-N 3.44Å; G55-W59 VanDerWaalsContact O-N 3.15Å |
| 56 | Y | 67.4 | Low | 77.2 | Confident | 146 Ų | 146 | 97.1 Ų | 97.1 | 57% | 0.573 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.4 | -33.8 | 178.4 | -69.7 | -71.6 | 0 | 0 | 0 | 113 | E53 Y54 W58 W59 L60 | E53-Y56 HydrophobicContact CB-CD2 3.66Å; E53-Y56 HydrophobicContact CB-CE2 3.93Å; E53-Y56 HydrophobicContact CG-CD2 4.1Å; E53-Y56 HydrophobicContact CG-CE2 3.9Å; E53-Y56 PolarHBondContact O-N 2.82Å; E53-Y56 VanDerWaalsContact OE2-CE2 3.24Å; E53-Y56 WeakPolarHBondContact OE2-CE2 3.31Å; Y54-Y56 PolarHBondContact O-N 2.89Å; Y56-W58 VanDerWaalsContact C-N 3.34Å; Y56-W59 PolarHBondContact O-N 3.26Å; Y56-L60 VanDerWaalsContact O-CG 3.32Å; Y56-L60 WeakPolarHBondContact O-CG 3.45Å; Y56-L60 PolarHBondContact O-N 2.92Å |
| 57 | M | 72.3 | Confident | 78.1 | Confident | 108 Ų | 108 | 96.9 Ų | 96.9 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 175.8 | -74.1 | 175 | 75.5 | 0 | 0 | 111.9 | F36 Y54 S61 | F36-M57 HydrophobicContact CE1-SD 3.7Å; F36-M57 HydrophobicContact CZ-SD 4.13Å; Y54-M57 PolarHBondContact O-N 3.43Å; Y54-M57 VanDerWaalsContact O-N 3.07Å; M57-S61 PolarHBondContact O-N 3.42Å |
| 58 | W | 71.4 | Confident | 79 | Confident | 160 Ų | 160 | 97.3 Ų | 97.3 | 61% | 0.606 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.1 | -42.8 | 175.4 | -173.8 | 56.6 | 0 | 0 | 0 | 112 | Y54 G55 Y56 L60 S61 L62 | Y54-W58 PolarHBondContact O-N 2.86Å; G55-W58 PolarHBondContact O-N 3.23Å; Y56-W58 VanDerWaalsContact C-N 3.34Å; W58-L60 PolarHBondContact O-N 3.42Å; W58-S61 PolarHBondContact O-N 2.88Å; W58-L62 HydrophobicContact CD2-CD1 3.79Å; W58-L62 HydrophobicContact CG-CD1 3.94Å; W58-L62 HydrophobicContact CZ2-CD1 3.82Å; W58-L62 HydrophobicContact CZ2-CD2 4.39Å; W58-L62 VanDerWaalsContact O-CD1 3.28Å; W58-L62 WeakPolarHBondContact O-CD1 3.41Å; W58-L62 PolarHBondContact O-N 3.31Å |
| 59 | W | 76.8 | Confident | 80 | Confident | 180 Ų | 180 | 98.7 Ų | 98.7 | 68% | 0.682 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 175.6 | -93.5 | 100.7 | 0 | 0 | 0 | 113.4 | G55 Y56 S61 L62 G63 | G55-W59 PolarHBondContact O-N 3.44Å; G55-W59 VanDerWaalsContact O-N 3.15Å; Y56-W59 PolarHBondContact O-N 3.26Å; W59-S61 VanDerWaalsContact C-N 3.34Å; W59-L62 PolarHBondContact O-N 2.94Å; W59-G63 PolarHBondContact O-N 2.93Å |
| 60 | L | 79.2 | Confident | 81.1 | Confident | 131 Ų | 131 | 98.5 Ų | 98.5 | 69% | 0.686 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 175.9 | -73.5 | 170.5 | 0 | 0 | 0 | 111.8 | Y56 W58 G63 A64 | Y56-L60 VanDerWaalsContact O-CG 3.32Å; Y56-L60 WeakPolarHBondContact O-CG 3.45Å; Y56-L60 PolarHBondContact O-N 2.92Å; W58-L60 PolarHBondContact O-N 3.42Å; L60-G63 PolarHBondContact O-N 2.93Å; L60-A64 WeakPolarHBondContact O-CB 3.32Å; L60-A64 PolarHBondContact O-N 3.33Å |
| 61 | S | 83.1 | Confident | 82.2 | Confident | 79 Ų | 79 | 95.8 Ų | 95.8 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -44.4 | 177.3 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | M57 W58 W59 A64 L65 | M57-S61 PolarHBondContact O-N 3.42Å; W58-S61 PolarHBondContact O-N 2.88Å; W59-S61 VanDerWaalsContact C-N 3.34Å; S61-A64 PolarHBondContact O-N 3.23Å; S61-L65 WeakPolarHBondContact O-CB 3.09Å; S61-L65 PolarHBondContact O-N 3.44Å |
| 62 | L | 88.2 | Confident | 83.6 | Confident | 69 Ų | 69 | 94.4 Ų | 94.4 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 173.9 | -94.7 | 87.5 | 0 | 0 | 0 | 111.9 | W58 W59 A64 L65 V66 | W58-L62 HydrophobicContact CD2-CD1 3.79Å; W58-L62 HydrophobicContact CG-CD1 3.94Å; W58-L62 HydrophobicContact CZ2-CD1 3.82Å; W58-L62 HydrophobicContact CZ2-CD2 4.39Å; W58-L62 VanDerWaalsContact O-CD1 3.28Å; W58-L62 WeakPolarHBondContact O-CD1 3.41Å; W58-L62 PolarHBondContact O-N 3.31Å; W59-L62 PolarHBondContact O-N 2.94Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 3.49Å; L62-L65 PolarHBondContact O-N 3.47Å; L62-V66 WeakPolarHBondContact O-CB 3.27Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.39Å; L62-V66 PolarHBondContact O-N 3.36Å |
| 63 | G | 88.5 | Confident | 85 | Confident | 43 Ų | 43 | 91.2 Ų | 91.2 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W59 L60 G67 | W59-G63 PolarHBondContact O-N 2.93Å; L60-G63 PolarHBondContact O-N 2.93Å; G63-G67 PolarHBondContact O-N 3.38Å |
| 64 | A | 91.9 | Very high | 86.6 | Confident | 54 Ų | 54 | 91.3 Ų | 91.3 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L60 S61 L62 V66 G67 L68 | L60-A64 WeakPolarHBondContact O-CB 3.32Å; L60-A64 PolarHBondContact O-N 3.33Å; S61-A64 PolarHBondContact O-N 3.23Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 3.49Å; A64-V66 PolarHBondContact O-N 2.91Å; A64-G67 PolarHBondContact O-N 3.24Å; A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 VanDerWaalsContact O-CG 3.29Å; A64-L68 WeakPolarHBondContact O-CG 2.98Å; A64-L68 PolarHBondContact O-N 2.88Å |
| 65 | L | 92.6 | Very high | 88 | Confident | 125 Ų | 125 | 92.1 Ų | 92.1 | 65% | 0.654 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -46.4 | 178.4 | -177.2 | 68.9 | 0 | 0 | 0 | 111.6 | S61 L62 S69 | S61-L65 WeakPolarHBondContact O-CB 3.09Å; S61-L65 PolarHBondContact O-N 3.44Å; L62-L65 PolarHBondContact O-N 3.47Å; L65-S69 WeakPolarHBondContact O-CB 3.12Å; L65-S69 PolarHBondContact O-N 2.96Å |
| 66 | V | 95.6 | Very high | 89.5 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66 | -45.8 | 177.9 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | L62 A64 S69 V70 | L62-V66 WeakPolarHBondContact O-CB 3.27Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.39Å; L62-V66 PolarHBondContact O-N 3.36Å; A64-V66 PolarHBondContact O-N 2.91Å; V66-S69 PolarHBondContact O-N 3.02Å; V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 WeakPolarHBondContact O-CG2 3.46Å; V66-V70 PolarHBondContact O-N 3.02Å |
| 67 | G | 94.9 | Very high | 91 | Very high | 41 Ų | 41 | 91.3 Ų | 91.3 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G63 A64 S69 V70 A71 | G63-G67 PolarHBondContact O-N 3.38Å; A64-G67 PolarHBondContact O-N 3.24Å; G67-S69 VanDerWaalsContact C-N 3.34Å; G67-S69 PolarHBondContact O-N 2.73Å; G67-V70 PolarHBondContact O-N 3.33Å; G67-A71 WeakPolarHBondContact O-CB 3.41Å; G67-A71 PolarHBondContact O-N 3.5Å |
| 68 | L | 95.8 | Very high | 92.2 | Very high | 129 Ų | 129 | 92.1 Ų | 92.1 | 68% | 0.675 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 176.9 | -70.2 | 175.1 | 0 | 0 | 0 | 111.8 | A64 A71 A72 | A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 VanDerWaalsContact O-CG 3.29Å; A64-L68 WeakPolarHBondContact O-CG 2.98Å; A64-L68 PolarHBondContact O-N 2.88Å; L68-A71 PolarHBondContact O-N 3.24Å; L68-A72 VanDerWaalsContact O-CB 3.28Å; L68-A72 WeakPolarHBondContact O-CB 3.35Å; L68-A72 PolarHBondContact O-N 3.43Å |
| 69 | S | 97.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 88.1 Ų | 88.1 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 175.8 | 180 | 0 | 0 | 0 | 0 | 111.7 | L65 V66 G67 A71 A72 V73 | L65-S69 WeakPolarHBondContact O-CB 3.12Å; L65-S69 PolarHBondContact O-N 2.96Å; V66-S69 PolarHBondContact O-N 3.02Å; G67-S69 VanDerWaalsContact C-N 3.34Å; G67-S69 PolarHBondContact O-N 2.73Å; S69-A71 PolarHBondContact O-N 2.88Å; S69-A72 PolarHBondContact O-N 3.45Å; S69-V73 WeakPolarHBondContact O-CG2 3.03Å; S69-V73 PolarHBondContact O-N 3.42Å |
| 70 | V | 97.9 | Very high | 94.4 | Very high | 86 Ų | 86 | 83.9 Ų | 83.9 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V66 G67 A72 V73 V74 | V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 WeakPolarHBondContact O-CG2 3.46Å; V66-V70 PolarHBondContact O-N 3.02Å; G67-V70 PolarHBondContact O-N 3.33Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.45Å; V70-V73 PolarHBondContact O-N 2.97Å; V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 VanDerWaalsContact O-CG2 3.29Å; V70-V74 WeakPolarHBondContact O-CG2 3.5Å; V70-V74 PolarHBondContact O-N 3.42Å |
| 71 | A | 97.4 | Very high | 95.2 | Very high | 48 Ų | 48 | 81.3 Ų | 81.3 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G67 L68 S69 V74 L75 | G67-A71 WeakPolarHBondContact O-CB 3.41Å; G67-A71 PolarHBondContact O-N 3.5Å; L68-A71 PolarHBondContact O-N 3.24Å; S69-A71 PolarHBondContact O-N 2.88Å; A71-V74 PolarHBondContact O-N 2.99Å; A71-L75 WeakPolarHBondContact O-CB 3.48Å; A71-L75 VanDerWaalsContact O-CG 3.28Å; A71-L75 WeakPolarHBondContact O-CG 2.99Å; A71-L75 PolarHBondContact O-N 3.43Å |
| 72 | A | 97.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 81.2 Ų | 81.2 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L68 S69 V70 L75 L76 | L68-A72 VanDerWaalsContact O-CB 3.28Å; L68-A72 WeakPolarHBondContact O-CB 3.35Å; L68-A72 PolarHBondContact O-N 3.43Å; S69-A72 PolarHBondContact O-N 3.45Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.45Å; A72-L75 PolarHBondContact O-N 2.97Å; A72-L76 VanDerWaalsContact O-CB 3.28Å; A72-L76 WeakPolarHBondContact O-CB 3.04Å; A72-L76 PolarHBondContact O-N 2.96Å |
| 73 | V | 98.1 | Very high | 96.1 | Very high | 91 Ų | 91 | 81.5 Ų | 81.5 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 178.2 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | S69 V70 L76 A77 | S69-V73 WeakPolarHBondContact O-CG2 3.03Å; S69-V73 PolarHBondContact O-N 3.42Å; V70-V73 PolarHBondContact O-N 2.97Å; V73-L76 PolarHBondContact O-N 2.88Å; V73-A77 WeakPolarHBondContact O-CB 3.43Å; V73-A77 PolarHBondContact O-N 3.46Å |
| 74 | V | 98.3 | Very high | 96.4 | Very high | 92 Ų | 92 | 83 Ų | 83 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | V70 A71 A77 F78 | V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 VanDerWaalsContact O-CG2 3.29Å; V70-V74 WeakPolarHBondContact O-CG2 3.5Å; V70-V74 PolarHBondContact O-N 3.42Å; A71-V74 PolarHBondContact O-N 2.99Å; V74-A77 PolarHBondContact O-N 2.96Å; V74-F78 PolarHBondContact O-N 3.33Å |
| 75 | L | 97.9 | Very high | 96.3 | Very high | 114 Ų | 114 | 85.2 Ų | 85.2 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 175.8 | -73.5 | 173.8 | 0 | 0 | 0 | 111.5 | A71 A72 A77 F78 V79 | A71-L75 WeakPolarHBondContact O-CB 3.48Å; A71-L75 VanDerWaalsContact O-CG 3.28Å; A71-L75 WeakPolarHBondContact O-CG 2.99Å; A71-L75 PolarHBondContact O-N 3.43Å; A72-L75 PolarHBondContact O-N 2.97Å; L75-A77 PolarHBondContact O-N 3.21Å; L75-F78 PolarHBondContact O-N 3.35Å; L75-V79 WeakPolarHBondContact O-CG2 3.39Å; L75-V79 PolarHBondContact O-N 3.19Å |
| 76 | L | 97.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 83 Ų | 83 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 177.4 | -179.3 | 61.3 | 0 | 0 | 0 | 111.4 | A72 V73 F78 V79 I80 | A72-L76 VanDerWaalsContact O-CB 3.28Å; A72-L76 WeakPolarHBondContact O-CB 3.04Å; A72-L76 PolarHBondContact O-N 2.96Å; V73-L76 PolarHBondContact O-N 2.88Å; L76-F78 VanDerWaalsContact C-N 3.32Å; L76-F78 PolarHBondContact O-N 3.47Å; L76-V79 PolarHBondContact O-N 2.96Å; L76-I80 HydrophobicContact CD1-CD1 4Å; L76-I80 HydrophobicContact CD1-CG1 4.21Å; L76-I80 HydrophobicContact CG-CD1 3.82Å; L76-I80 HydrophobicContact CG-CG1 4.44Å; L76-I80 WeakPolarHBondContact O-CB 3.49Å; L76-I80 VanDerWaalsContact O-CG1 3.24Å; L76-I80 WeakPolarHBondContact O-CG1 3.27Å; L76-I80 PolarHBondContact O-N 2.87Å |
| 77 | A | 97.9 | Very high | 96 | Very high | 50 Ų | 50 | 86.3 Ų | 86.3 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V73 V74 L75 T81 | V73-A77 WeakPolarHBondContact O-CB 3.43Å; V73-A77 PolarHBondContact O-N 3.46Å; V74-A77 PolarHBondContact O-N 2.96Å; L75-A77 PolarHBondContact O-N 3.21Å; A77-T81 WeakPolarHBondContact O-CB 3.38Å; A77-T81 PolarHBondContact O-N 3.4Å; A77-T81 PolarHBondContact O-OG1 2.65Å |
| 78 | F | 97.9 | Very high | 95.6 | Very high | 126 Ų | 126 | 88.1 Ų | 88.1 | 55% | 0.553 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -46.9 | 176.1 | -178.7 | -105.1 | 0 | 0 | 0 | 112.1 | V74 L75 L76 I80 T81 L82 | V74-F78 PolarHBondContact O-N 3.33Å; L75-F78 PolarHBondContact O-N 3.35Å; L76-F78 VanDerWaalsContact C-N 3.32Å; L76-F78 PolarHBondContact O-N 3.47Å; F78-I80 PolarHBondContact O-N 3.15Å; F78-T81 WeakPolarHBondContact O-CB 3.34Å; F78-T81 PolarHBondContact O-N 3.46Å; F78-L82 HydrophobicContact CD1-CD1 3.91Å; F78-L82 HydrophobicContact CD1-CG 4.41Å; F78-L82 HydrophobicContact CE1-CD1 3.33Å; F78-L82 HydrophobicContact CE1-CG 4.04Å; F78-L82 HydrophobicContact CE2-CD1 4.49Å; F78-L82 HydrophobicContact CE2-CG 4.42Å; F78-L82 HydrophobicContact CZ-CD1 3.67Å; F78-L82 HydrophobicContact CZ-CD2 4.25Å; F78-L82 HydrophobicContact CZ-CG 4.04Å; F78-L82 WeakPolarHBondContact O-CG 3.36Å; F78-L82 PolarHBondContact O-N 3.26Å |
| 79 | V | 97.7 | Very high | 95 | Very high | 75 Ų | 75 | 89 Ų | 89 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 177 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L75 L76 T81 L82 C83 | L75-V79 WeakPolarHBondContact O-CG2 3.39Å; L75-V79 PolarHBondContact O-N 3.19Å; L76-V79 PolarHBondContact O-N 2.96Å; V79-T81 VanDerWaalsContact C-N 3.32Å; V79-T81 PolarHBondContact O-N 2.98Å; V79-L82 PolarHBondContact O-N 3.42Å; V79-C83 WeakPolarHBondContact O-CB 3.25Å; V79-C83 PolarHBondContact O-N 3.44Å; V79-C83 PolarHBondContact O-SG 3.18Å |
| 80 | I | 97.2 | Very high | 94.3 | Very high | 92 Ų | 92 | 91.1 Ų | 91.1 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 176.4 | -68.9 | 167.8 | 0 | 0 | 0 | 110.4 | L76 F78 L82 C83 V84 | L76-I80 HydrophobicContact CD1-CD1 4Å; L76-I80 HydrophobicContact CD1-CG1 4.21Å; L76-I80 HydrophobicContact CG-CD1 3.82Å; L76-I80 HydrophobicContact CG-CG1 4.44Å; L76-I80 WeakPolarHBondContact O-CB 3.49Å; L76-I80 VanDerWaalsContact O-CG1 3.24Å; L76-I80 WeakPolarHBondContact O-CG1 3.27Å; L76-I80 PolarHBondContact O-N 2.87Å; F78-I80 PolarHBondContact O-N 3.15Å; I80-L82 VanDerWaalsContact C-N 3.35Å; I80-L82 PolarHBondContact O-N 3.29Å; I80-C83 PolarHBondContact O-N 3.45Å; I80-V84 HydrophobicContact CG2-CG2 4.3Å; I80-V84 WeakPolarHBondContact O-CG2 3.35Å; I80-V84 PolarHBondContact O-N 2.9Å |
| 81 | T | 95.7 | Very high | 93.3 | Very high | 77 Ų | 77 | 90.6 Ų | 90.6 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 111 | A77 F78 V79 V84 L85 | A77-T81 WeakPolarHBondContact O-CB 3.38Å; A77-T81 PolarHBondContact O-N 3.4Å; A77-T81 PolarHBondContact O-OG1 2.65Å; F78-T81 WeakPolarHBondContact O-CB 3.34Å; F78-T81 PolarHBondContact O-N 3.46Å; V79-T81 VanDerWaalsContact C-N 3.32Å; V79-T81 PolarHBondContact O-N 2.98Å; T81-V84 PolarHBondContact O-N 3.01Å; T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.45Å; T81-L85 WeakPolarHBondContact O-CB 3.44Å; T81-L85 VanDerWaalsContact O-CG 3.25Å; T81-L85 WeakPolarHBondContact O-CG 3.04Å; T81-L85 PolarHBondContact O-N 3.16Å |
| 82 | L | 96.2 | Very high | 91.9 | Very high | 76 Ų | 76 | 92.2 Ų | 92.2 | 40% | 0.398 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 174.9 | -71.4 | -178.6 | 0 | 0 | 0 | 112.2 | F78 V79 I80 V84 L85 C86 | F78-L82 HydrophobicContact CD1-CD1 3.91Å; F78-L82 HydrophobicContact CD1-CG 4.41Å; F78-L82 HydrophobicContact CE1-CD1 3.33Å; F78-L82 HydrophobicContact CE1-CG 4.04Å; F78-L82 HydrophobicContact CE2-CD1 4.49Å; F78-L82 HydrophobicContact CE2-CG 4.42Å; F78-L82 HydrophobicContact CZ-CD1 3.67Å; F78-L82 HydrophobicContact CZ-CD2 4.25Å; F78-L82 HydrophobicContact CZ-CG 4.04Å; F78-L82 WeakPolarHBondContact O-CG 3.36Å; F78-L82 PolarHBondContact O-N 3.26Å; V79-L82 PolarHBondContact O-N 3.42Å; I80-L82 VanDerWaalsContact C-N 3.35Å; I80-L82 PolarHBondContact O-N 3.29Å; L82-V84 VanDerWaalsContact C-N 3.33Å; L82-V84 PolarHBondContact O-N 2.82Å; L82-L85 PolarHBondContact O-N 3.38Å; L82-C86 VanDerWaalsContact O-CB 3.3Å; L82-C86 WeakPolarHBondContact O-CB 3.34Å; L82-C86 PolarHBondContact O-N 3.19Å; L82-C86 PolarHBondContact O-SG 2.87Å |
| 83 | C | 94.1 | Very high | 89.8 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 177.4 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | V79 I80 C86 Y87 | V79-C83 WeakPolarHBondContact O-CB 3.25Å; V79-C83 PolarHBondContact O-N 3.44Å; V79-C83 PolarHBondContact O-SG 3.18Å; I80-C83 PolarHBondContact O-N 3.45Å; C83-C86 PolarHBondContact O-N 3.33Å; C83-Y87 WeakPolarHBondContact O-CB 2.95Å; C83-Y87 PolarHBondContact O-N 3.21Å |
| 84 | V | 95.1 | Very high | 87.8 | Confident | 73 Ų | 73 | 96.9 Ų | 96.9 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 177 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | I80 T81 L82 C86 Y87 L88 | I80-V84 HydrophobicContact CG2-CG2 4.3Å; I80-V84 WeakPolarHBondContact O-CG2 3.35Å; I80-V84 PolarHBondContact O-N 2.9Å; T81-V84 PolarHBondContact O-N 3.01Å; L82-V84 VanDerWaalsContact C-N 3.33Å; L82-V84 PolarHBondContact O-N 2.82Å; V84-C86 PolarHBondContact O-N 3.24Å; V84-Y87 PolarHBondContact O-N 2.87Å; V84-L88 HydrophobicContact CG1-CD1 3.88Å; V84-L88 HydrophobicContact CG1-CG 4.23Å; V84-L88 WeakPolarHBondContact O-CB 3.22Å; V84-L88 VanDerWaalsContact O-CG 3.25Å; V84-L88 WeakPolarHBondContact O-CG 3.49Å; V84-L88 PolarHBondContact O-N 3.03Å |
| 85 | L | 90.7 | Very high | 85.7 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.3 | -71.5 | 174.6 | 0 | 0 | 0 | 112 | T81 L82 F89 | T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.45Å; T81-L85 WeakPolarHBondContact O-CB 3.44Å; T81-L85 VanDerWaalsContact O-CG 3.25Å; T81-L85 WeakPolarHBondContact O-CG 3.04Å; T81-L85 PolarHBondContact O-N 3.16Å; L82-L85 PolarHBondContact O-N 3.38Å; L85-F89 VanDerWaalsContact O-CB 3.29Å; L85-F89 WeakPolarHBondContact O-CB 3.36Å; L85-F89 PolarHBondContact O-N 2.82Å |
| 86 | C | 88.1 | Confident | 83.7 | Confident | 79 Ų | 79 | 100.8 Ų | 100.8 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 175.7 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | L82 C83 V84 F89 V90 | L82-C86 VanDerWaalsContact O-CB 3.3Å; L82-C86 WeakPolarHBondContact O-CB 3.34Å; L82-C86 PolarHBondContact O-N 3.19Å; L82-C86 PolarHBondContact O-SG 2.87Å; C83-C86 PolarHBondContact O-N 3.33Å; V84-C86 PolarHBondContact O-N 3.24Å; C86-F89 PolarHBondContact O-N 3.12Å; C86-V90 WeakPolarHBondContact O-CB 3.27Å; C86-V90 VanDerWaalsContact O-CG2 3.25Å; C86-V90 WeakPolarHBondContact O-CG2 3.42Å; C86-V90 PolarHBondContact O-N 3.07Å |
| 87 | Y | 92.4 | Very high | 81.4 | Confident | 159 Ų | 159 | 103.3 Ų | 103.3 | 62% | 0.624 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -47.1 | 177.3 | 177 | -98.2 | 0 | 0 | 0 | 111.2 | C83 V84 V90 T91 | C83-Y87 WeakPolarHBondContact O-CB 2.95Å; C83-Y87 PolarHBondContact O-N 3.21Å; V84-Y87 PolarHBondContact O-N 2.87Å; Y87-V90 PolarHBondContact O-N 3.09Å; Y87-T91 HydrophobicContact CD1-CG2 4.22Å; Y87-T91 HydrophobicContact CD2-CG2 4.01Å; Y87-T91 HydrophobicContact CE1-CG2 3.82Å; Y87-T91 HydrophobicContact CE2-CG2 3.59Å; Y87-T91 HydrophobicContact CG-CG2 4.31Å; Y87-T91 VanDerWaalsContact CZ-CG2 3.5Å; Y87-T91 WeakPolarHBondContact O-CB 3.24Å; Y87-T91 VanDerWaalsContact O-CG2 3.31Å; Y87-T91 WeakPolarHBondContact O-CG2 3.45Å; Y87-T91 PolarHBondContact O-N 2.81Å; Y87-T91 PolarHBondContact O-OG1 3.48Å |
| 88 | L | 86.9 | Confident | 79.1 | Confident | 79 Ų | 79 | 107.9 Ų | 107.9 | 41% | 0.414 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.7 | -48.1 | 173.8 | -71.2 | 176.3 | 0 | 0 | 0 | 109.6 | V84 V90 T91 T92 | V84-L88 HydrophobicContact CG1-CD1 3.88Å; V84-L88 HydrophobicContact CG1-CG 4.23Å; V84-L88 WeakPolarHBondContact O-CB 3.22Å; V84-L88 VanDerWaalsContact O-CG 3.25Å; V84-L88 WeakPolarHBondContact O-CG 3.49Å; V84-L88 PolarHBondContact O-N 3.03Å; L88-V90 VanDerWaalsContact C-N 3.28Å; L88-V90 PolarHBondContact O-N 2.93Å; L88-T91 WeakPolarHBondContact CA-OG1 3.46Å; L88-T91 PolarHBondContact O-N 3.47Å; L88-T91 VanDerWaalsContact O-N 3.15Å; L88-T91 PolarHBondContact O-OG1 2.96Å; L88-T92 HydrophobicContact CB-CG2 4.3Å; L88-T92 HydrophobicContact CD2-CG2 4.06Å; L88-T92 WeakPolarHBondContact O-CA 3.32Å; L88-T92 WeakPolarHBondContact O-CB 3.48Å; L88-T92 VanDerWaalsContact O-CG2 3.28Å; L88-T92 WeakPolarHBondContact O-CG2 3.34Å; L88-T92 PolarHBondContact O-N 2.86Å; L88-T92 PolarHBondContact O-OG1 3.38Å |
| 89 | F | 82.9 | Confident | 76.8 | Confident | 149 Ų | 149 | 107.1 Ų | 107.1 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.1 | -39.8 | 179 | -172.6 | -101.1 | 0 | 0 | 0 | 113.4 | L85 C86 K93 | L85-F89 VanDerWaalsContact O-CB 3.29Å; L85-F89 WeakPolarHBondContact O-CB 3.36Å; L85-F89 PolarHBondContact O-N 2.82Å; C86-F89 PolarHBondContact O-N 3.12Å; F89-K93 PolarHBondContact O-N 2.01Å |
| 90 | V | 82.4 | Confident | 74.5 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.4 | -40.7 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | C86 Y87 L88 | C86-V90 WeakPolarHBondContact O-CB 3.27Å; C86-V90 VanDerWaalsContact O-CG2 3.25Å; C86-V90 WeakPolarHBondContact O-CG2 3.42Å; C86-V90 PolarHBondContact O-N 3.07Å; Y87-V90 PolarHBondContact O-N 3.09Å; L88-V90 VanDerWaalsContact C-N 3.28Å; L88-V90 PolarHBondContact O-N 2.93Å |
| 91 | T | 77.5 | Confident | 72.3 | Confident | 75 Ų | 75 | 108.9 Ų | 108.9 | 46% | 0.46 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -85.4 | -28.8 | -176.2 | 55 | 0 | 0 | 0 | 0 | 114.1 | Y87 L88 | Y87-T91 HydrophobicContact CD1-CG2 4.22Å; Y87-T91 HydrophobicContact CD2-CG2 4.01Å; Y87-T91 HydrophobicContact CE1-CG2 3.82Å; Y87-T91 HydrophobicContact CE2-CG2 3.59Å; Y87-T91 HydrophobicContact CG-CG2 4.31Å; Y87-T91 VanDerWaalsContact CZ-CG2 3.5Å; Y87-T91 WeakPolarHBondContact O-CB 3.24Å; Y87-T91 VanDerWaalsContact O-CG2 3.31Å; Y87-T91 WeakPolarHBondContact O-CG2 3.45Å; Y87-T91 PolarHBondContact O-N 2.81Å; Y87-T91 PolarHBondContact O-OG1 3.48Å; L88-T91 WeakPolarHBondContact CA-OG1 3.46Å; L88-T91 PolarHBondContact O-N 3.47Å; L88-T91 VanDerWaalsContact O-N 3.15Å; L88-T91 PolarHBondContact O-OG1 2.96Å |
| 92 | T | 67.7 | Low | 70.1 | Confident | 82 Ų | 82 | 110.9 Ų | 110.9 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -98.6 | 3.5 | -176.9 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | L88 | L88-T92 HydrophobicContact CB-CG2 4.3Å; L88-T92 HydrophobicContact CD2-CG2 4.06Å; L88-T92 WeakPolarHBondContact O-CA 3.32Å; L88-T92 WeakPolarHBondContact O-CB 3.48Å; L88-T92 VanDerWaalsContact O-CG2 3.28Å; L88-T92 WeakPolarHBondContact O-CG2 3.34Å; L88-T92 PolarHBondContact O-N 2.86Å; L88-T92 PolarHBondContact O-OG1 3.38Å |
| 93 | K | 53.7 | Low | 67.6 | Low | 167 Ų | 167 | 114.4 Ų | 114.4 | 73% | 0.726 | 63% | 0.631 | S | S | * | * | trans | -8.4 | 94.6 | 176.8 | -107.1 | -147.6 | -174 | -180 | 0 | 110 | F89 R95 | F89-K93 PolarHBondContact O-N 2.01Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.45Å | ||
| 94 | P | 55.1 | Low | 65.3 | Low | 77 Ų | 77 | 121.9 Ų | 121.9 | 50% | 0.5 | 65% | 0.648 | S | S | . | * | trans | -66 | 105.9 | -178.9 | 24.1 | -29.1 | 0 | 0 | 0 | 105 | G96 | P94-G96 PolarHBondContact O-N 3.02Š| ||
| 95 | R | 55.7 | Low | 62.5 | Low | 250 Ų | 250 | 122.1 Ų | 122.1 | 94% | 0.943 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -60 | 92.8 | 158.1 | -80.9 | -177.9 | 162.8 | 153.4 | -3.5 | 104.8 | K93 | K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.45Å |
| 96 | G | 55.8 | Low | 60.4 | Low | 39 Ų | 39 | 122.9 Ų | 122.9 | 40% | 0.402 | 67% | 0.669 | S | S | . | * | trans | 108.8 | 87.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P94 D98 | P94-G96 PolarHBondContact O-N 3.02Å; G96-D98 VanDerWaalsContact CA-N 3.26Å; G96-D98 PolarHBondContact O-N 2.82Å | ||
| 97 | L | 49.7 | Very low | 57.9 | Low | 157 Ų | 157 | 126.2 Ų | 126.2 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | -71 | 81 | 115.3 | -107.4 | 85.2 | 0 | 0 | 0 | 105.1 | S99 | L97-S99 PolarHBondContact O-N 2.88Š| |||
| 98 | D | 48.7 | Very low | 55 | Low | 146 Ų | 146 | 122.3 Ų | 122.3 | 78% | 0.781 | 68% | 0.682 | S | S | * | * | trans | -69.3 | 88.3 | 164.5 | -76.9 | -42.4 | 0 | 0 | 0 | 105.4 | G96 G100 | G96-D98 VanDerWaalsContact CA-N 3.26Å; G96-D98 PolarHBondContact O-N 2.82Å; D98-G100 PolarHBondContact O-N 3.16Å | ||
| 99 | S | 49.8 | Very low | 52.6 | Low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -65.9 | 62 | 156.4 | -64.3 | 0 | 0 | 0 | 0 | 108.3 | L97 L101 | L97-S99 PolarHBondContact O-N 2.88Å; S99-L101 PolarHBondContact O-N 2.61Å; S99-L101 VanDerWaalsContact O-N 3.11Å | ||
| 100 | G | 48.9 | Very low | 50.3 | Low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | trans | -82.7 | 67.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | D98 P102 | D98-G100 PolarHBondContact O-N 3.16Å; G100-P102 WeakPolarHBondContact O-CD 3.45Å | ||
| 101 | L | 50.7 | Low | 47.9 | Very low | 139 Ų | 139 | 125 Ų | 125 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | trans | -88 | 99.7 | 157.7 | -165.5 | 74.9 | 0 | 0 | 0 | 106.2 | S99 L103 | S99-L101 PolarHBondContact O-N 2.61Å; S99-L101 VanDerWaalsContact O-N 3.11Å; L101-L103 HydrophobicContact CD2-CD1 4.08Å; L101-L103 HydrophobicContact CD2-CG 4.01Å; L101-L103 HydrophobicContact CG-CG 4.36Å; L101-L103 PolarHBondContact O-N 3.18Å | ||
| 102 | P | 49.6 | Very low | 45.8 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -75.3 | 82.8 | 174 | 32 | -33.2 | 0 | 0 | 0 | 108.2 | G100 R104 | G100-P102 WeakPolarHBondContact O-CD 3.45Å; P102-R104 PolarHBondContact O-N 3.2Å | ||
| 103 | L | 43.5 | Very low | 44.1 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -67.5 | 89.2 | 159.6 | -78 | 167.5 | 0 | 0 | 0 | 106.9 | L101 A105 | L101-L103 HydrophobicContact CD2-CD1 4.08Å; L101-L103 HydrophobicContact CD2-CG 4.01Å; L101-L103 HydrophobicContact CG-CG 4.36Å; L101-L103 PolarHBondContact O-N 3.18Å; L103-A105 PolarHBondContact O-N 2.04Å; L103-A105 VanDerWaalsContact O-N 3.08Å | ||
| 104 | R | 45.9 | Very low | 42.9 | Very low | 232 Ų | 232 | 130.3 Ų | 130.3 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | trans | -68.6 | 102.3 | 169.9 | -171.3 | 163.1 | -177.6 | 104.9 | -2.4 | 107.3 | P102 P106 | P102-R104 PolarHBondContact O-N 3.2Å; R104-P106 VanDerWaalsContact O-CD 3.24Å; R104-P106 WeakPolarHBondContact O-CD 3.18Å | ||
| 105 | A | 37.4 | Very low | 41.6 | Very low | 78 Ų | 78 | 132 Ų | 132 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | trans | -70.6 | 121.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | L103 | L103-A105 PolarHBondContact O-N 2.04Å; L103-A105 VanDerWaalsContact O-N 3.08Å | ||
| 106 | P | 45.6 | Very low | 40.2 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -92.2 | 96.1 | 167.3 | -2.4 | 23.5 | 0 | 0 | 0 | 108.9 | R104 | R104-P106 VanDerWaalsContact O-CD 3.24Å; R104-P106 WeakPolarHBondContact O-CD 3.18Å | ||
| 107 | D | 35.3 | Very low | 38.9 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -100.7 | 104.7 | 159.9 | -76.6 | -45.6 | 0 | 0 | 0 | 107.5 | ||||
| 108 | A | 32 | Very low | 37.9 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 63% | 0.628 | 77% | 0.766 | S | S | * | * | 83.9 | 92.5 | 104.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 109 | I | 36.5 | Very low | 37 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 86.4 | 114 | 86.3 | -76.5 | 171.2 | 0 | 0 | 0 | 112.6 | |||||
| 110 | I | 34 | Very low | 36 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 80.1 | 116.8 | 142.8 | -62 | 169.2 | 0 | 0 | 0 | 120.4 | ||||
| 111 | S | 33.3 | Very low | 35.1 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | 153.9 | 103.6 | 122.3 | -67.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 112 | Q | 34.1 | Very low | 34.2 | Very low | 179 Ų | 179 | 125.1 Ų | 125.1 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | 61.6 | 148 | 91 | -82.2 | -168.7 | -20.4 | 0 | 0 | 116.3 | |||||
| 113 | Q | 31.4 | Very low | 34.1 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | 82.8 | 126 | -178.2 | -117 | 90.8 | -31.6 | 0 | 0 | 115.6 | ||||
| 114 | G | 27.4 | Very low | 33.4 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | 149.4 | 137.4 | 4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 115 | A | 28.6 | Very low | 32.7 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | 76.8 | 112.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 116 | G | 26.6 | Very low | 32.8 | Very low | 74 Ų | 74 | 118.1 Ų | 118.1 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | 92.7 | 114.6 | 106.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 117 | A | 28.1 | Very low | 32.3 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 55.2 | 147.5 | 145 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 118 | S | 27.9 | Very low | 32.2 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | cis | -175.9 | 167.4 | 2.7 | 36.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 119 | H | 31.4 | Very low | 32.9 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | 86.2 | 109.3 | 164.7 | -76.4 | -82.8 | 0 | 0 | 0 | 121.6 | ||||
| 120 | S | 28.5 | Very low | 33.5 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 39.8 | 128.8 | 131.1 | 46 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 121 | S | 29.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | cis | -178 | 144.1 | 36.1 | 33 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 122 | A | 32.3 | Very low | 34.5 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -101.1 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 123 | P | 47.4 | Very low | 35 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | cis | -131.1 | 169 | -22.7 | 27.3 | -6.8 | 0 | 0 | 0 | 112.8 | ||||
| 124 | A | 28.6 | Very low | 35.5 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 170.9 | 118.7 | 134.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 125 | G | 32.1 | Very low | 36.3 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 57.5 | 114.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | Q127 | G125-Q127 PolarHBondContact O-N 2.94Š| ||
| 126 | P | 39.4 | Very low | 36.7 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | trans | -78.1 | 120.1 | 176.7 | 30.4 | -30 | 0 | 0 | 0 | 111.6 | ||||
| 127 | Q | 33.7 | Very low | 37.1 | Very low | 197 Ų | 197 | 138 Ų | 138 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -98 | 125.8 | 161.6 | -67.9 | -165.7 | 8.7 | 0 | 0 | 110.1 | G125 | G125-Q127 PolarHBondContact O-N 2.94Š| ||
| 128 | G | 34.8 | Very low | 37.9 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | 106.3 | 89.9 | 144 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 129 | L | 46.7 | Very low | 38.3 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -140.7 | 95.3 | 130.2 | -159.6 | 75.9 | 0 | 0 | 0 | 109.5 | K131 | L129-K131 PolarHBondContact O-N 3.48Š| ||
| 130 | R | 48.2 | Very low | 38.5 | Very low | 220 Ų | 220 | 139.8 Ų | 139.8 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -52.3 | 126.3 | 167.1 | -85.3 | -174.6 | 162.4 | -174 | -3.5 | 109.9 | ||||
| 131 | K | 46.3 | Very low | 39 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -160.3 | 91 | 139.6 | -100.6 | 161.5 | -166.9 | -172.4 | 0 | 108.8 | L129 F133 | L129-K131 PolarHBondContact O-N 3.48Å; K131-F133 PolarHBondContact O-N 3.49Å | ||
| 132 | H | 42.4 | Very low | 39.8 | Very low | 157 Ų | 157 | 143 Ų | 143 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 14 | 96.1 | 158.3 | -65.5 | -91.8 | 0 | 0 | 0 | 118 | ||||
| 133 | F | 43.1 | Very low | 40.2 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -77.1 | 112.9 | 144 | -100.5 | -97.5 | 0 | 0 | 0 | 108 | K131 | K131-F133 PolarHBondContact O-N 3.49Š| ||
| 134 | V | 43.4 | Very low | 39.7 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -122.8 | 90.4 | 148.4 | -176.3 | 0 | 0 | 0 | 0 | 107.4 | G136 | V134-G136 VanDerWaalsContact C-N 3.34Å; V134-G136 PolarHBondContact O-N 3.1Å; V134-G136 VanDerWaalsContact O-N 3.09Å | ||
| 135 | R | 44.5 | Very low | 40.4 | Very low | 207 Ų | 207 | 149.3 Ų | 149.3 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -53.9 | 95 | 151.6 | 179.8 | -179.3 | -176.1 | 172.4 | 2.2 | 108.1 | K137 | R135-K137 PolarHBondContact O-N 2.9Š| ||
| 136 | G | 35.4 | Very low | 40.9 | Very low | 76 Ų | 76 | 150.9 Ų | 150.9 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 96.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V134 | V134-G136 VanDerWaalsContact C-N 3.34Å; V134-G136 PolarHBondContact O-N 3.1Å; V134-G136 VanDerWaalsContact O-N 3.09Å | ||
| 137 | K | 35.3 | Very low | 41.4 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | trans | -88.4 | 128.4 | 176.3 | 179.6 | -178.8 | 175.7 | 178.5 | 0 | 109 | R135 | R135-K137 PolarHBondContact O-N 2.9Š| ||
| 138 | L | 46.4 | Very low | 41.8 | Very low | 142 Ų | 142 | 145 Ų | 145 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 55 | 119.4 | 160.5 | -89.1 | 81.8 | 0 | 0 | 0 | 118.4 | ||||
| 139 | D | 35.7 | Very low | 42.3 | Very low | 132 Ų | 132 | 151 Ų | 151 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | -168.6 | 114.4 | 98.5 | -151.7 | -97.9 | 0 | 0 | 0 | 109.2 | |||||
| 140 | C | 35 | Very low | 42.4 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 91% | 0.905 | 75% | 0.75 | S | S | * | * | trans | -119.2 | 99.2 | 162.1 | -76.8 | 0 | 0 | 0 | 0 | 105.2 | N142 | C140-N142 PolarHBondContact O-N 2.9Š| ||
| 141 | D | 38.5 | Very low | 42.3 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -44.1 | 135.8 | 172.8 | -145.8 | -53.6 | 0 | 0 | 0 | 110.4 | Q143 | D141-Q143 PolarHBondContact O-N 2.03Š| ||
| 142 | N | 45.7 | Very low | 42.3 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | -61.5 | 99.9 | 176.6 | -117.3 | -55.8 | 0 | 0 | 0 | 107.6 | C140 | C140-N142 PolarHBondContact O-N 2.9Š| ||
| 143 | Q | 40.9 | Very low | 42.5 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | -128.1 | 105.6 | 158.9 | -156.9 | 69 | -71.8 | 0 | 0 | 110.9 | D141 | D141-Q143 PolarHBondContact O-N 2.03Š| ||
| 144 | Q | 38.6 | Very low | 42.7 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | -46.9 | 133.4 | 171.1 | -166 | 159.4 | -92.4 | 0 | 0 | 109.7 | D146 | Q144-D146 PolarHBondContact O-N 3.22Š| ||
| 145 | P | 42.3 | Very low | 42.7 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -65.1 | 108.1 | 176.8 | -14.3 | 27.5 | 0 | 0 | 0 | 108.7 | P147 | P145-P147 WeakPolarHBondContact O-CD 3.24Š| ||
| 146 | D | 42.1 | Very low | 42.9 | Very low | 100 Ų | 100 | 143 Ų | 143 | 54% | 0.535 | 74% | 0.737 | S | S | . | * | trans | -61.2 | 113.7 | 176.8 | -176.5 | 5.7 | 0 | 0 | 0 | 109.9 | Q144 D148 | Q144-D146 PolarHBondContact O-N 3.22Å; D146-D148 PolarHBondContact O-N 3.23Å; D146-D148 VanDerWaalsContact O-N 3.15Å; D146-D148 PolarHBondContact OD1-N 3.41Å | ||
| 147 | P | 49.5 | Very low | 43.5 | Very low | 95 Ų | 95 | 143 Ų | 143 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -14.8 | -175.3 | 26.2 | -33.6 | 0 | 0 | 0 | 113.4 | P145 R149 | P145-P147 WeakPolarHBondContact O-CD 3.24Å; P147-R149 VanDerWaalsContact C-N 3.33Å; P147-R149 PolarHBondContact O-N 3.4Å |
| 148 | D | 43.9 | Very low | 44 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -76.1 | -17.7 | -175.3 | -70.9 | -35.7 | 0 | 0 | 0 | 113.9 | D146 L150 | D146-D148 PolarHBondContact O-N 3.23Å; D146-D148 VanDerWaalsContact O-N 3.15Å; D146-D148 PolarHBondContact OD1-N 3.41Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.86Å |
| 149 | R | 44.6 | Very low | 43.8 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -76.8 | -15.2 | 178.8 | -104.8 | -172.2 | 165.3 | -164.2 | -2.1 | 114.8 | P147 | P147-R149 VanDerWaalsContact C-N 3.33Å; P147-R149 PolarHBondContact O-N 3.4Å |
| 150 | L | 48 | Very low | 44 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -84.9 | -32.9 | 176.8 | -79.6 | 166.8 | 0 | 0 | 0 | 112.4 | D148 Q152 R153 | D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.86Å; L150-Q152 VanDerWaalsContact C-N 3.28Å; L150-Q152 PolarHBondContact O-N 2.82Å; L150-R153 PolarHBondContact O-N 2.92Å |
| 151 | F | 46.1 | Very low | 44.4 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -65.9 | -32 | 178 | -108.8 | -90.8 | 0 | 0 | 0 | 112.5 | R153 F155 | F151-R153 PolarHBondContact O-N 2.8Å; F151-F155 WeakPolarHBondContact O-CB 3.21Å; F151-F155 PolarHBondContact O-N 3.25Å |
| 152 | Q | 47.7 | Very low | 44.7 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 65% | 0.654 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -75.5 | -22.1 | -177.2 | -135.9 | 174.6 | 1.5 | 0 | 0 | 113.9 | L150 | L150-Q152 VanDerWaalsContact C-N 3.28Å; L150-Q152 PolarHBondContact O-N 2.82Å |
| 153 | R | 46.6 | Very low | 44.5 | Very low | 220 Ų | 220 | 138.9 Ų | 138.9 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -86.6 | -26.7 | 176 | -81.1 | -174.5 | 178.4 | 170.1 | -0.1 | 113.7 | L150 F151 | L150-R153 PolarHBondContact O-N 2.92Å; F151-R153 PolarHBondContact O-N 2.8Å |
| 154 | C | 46.8 | Very low | 44.8 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -85.9 | -14.2 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 155 | F | 43.8 | Very low | 45 | Very low | 166 Ų | 166 | 136 Ų | 136 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -100.5 | -9.4 | -178.4 | -143 | -93.4 | 0 | 0 | 0 | 114.8 | F151 | F151-F155 WeakPolarHBondContact O-CB 3.21Å; F151-F155 PolarHBondContact O-N 3.25Å |
| 156 | M | 49.2 | Very low | 44.9 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 84% | 0.842 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -94.9 | 19.8 | 176.1 | -74 | -157.9 | 94.5 | 0 | 0 | 114.4 | ||
| 157 | A | 46.2 | Very low | 45 | Very low | 76 Ų | 76 | 138 Ų | 138 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -107 | 103.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 158 | T | 46.8 | Very low | 44.5 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | 99.2 | 69.5 | 173.9 | -31.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 159 | V | 40.9 | Very low | 44.6 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -124.1 | 94.6 | 139.8 | 177.3 | 0 | 0 | 0 | 0 | 106.4 | S161 | V159-S161 PolarHBondContact O-N 2.98Š| ||
| 160 | T | 41.8 | Very low | 44.6 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | -67 | 110.4 | 163.1 | 39.1 | 0 | 0 | 0 | 0 | 107.2 | I162 | T160-I162 PolarHBondContact O-N 2.8Å; T160-I162 VanDerWaalsContact O-N 3.11Å | ||
| 161 | S | 42.7 | Very low | 44.4 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -61.6 | 114.2 | 168.7 | 68.7 | 0 | 0 | 0 | 0 | 108.1 | V159 N163 | V159-S161 PolarHBondContact O-N 2.98Å; S161-N163 PolarHBondContact O-N 2.8Å | ||
| 162 | I | 43.9 | Very low | 44.3 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -64.9 | 109.8 | 161.4 | 45 | 162.8 | 0 | 0 | 0 | 107.4 | T160 V164 | T160-I162 PolarHBondContact O-N 2.8Å; T160-I162 VanDerWaalsContact O-N 3.11Å; I162-V164 HydrophobicContact CD1-CG2 4.45Å; I162-V164 PolarHBondContact O-N 2.78Å | ||
| 163 | N | 42.7 | Very low | 44 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -71.8 | 103.9 | 167.7 | -173.8 | 30.3 | 0 | 0 | 0 | 106.9 | S161 E165 | S161-N163 PolarHBondContact O-N 2.8Å; N163-E165 PolarHBondContact O-N 3.17Å | ||
| 164 | V | 45.9 | Very low | 43.9 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | trans | -79.6 | 85.8 | 168.9 | -172.9 | 0 | 0 | 0 | 0 | 106.3 | I162 N166 | I162-V164 HydrophobicContact CD1-CG2 4.45Å; I162-V164 PolarHBondContact O-N 2.78Å; V164-N166 PolarHBondContact O-N 3.07Å | ||
| 165 | E | 42.5 | Very low | 43.7 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.7 | 165.5 | -160.5 | 164.7 | 114.4 | 0 | 0 | 107.4 | N163 P167 | N163-E165 PolarHBondContact O-N 3.17Å; E165-P167 WeakPolarHBondContact O-CD 3.46Å |
| 166 | N | 40.3 | Very low | 43.7 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90 | 118.2 | -176.7 | -159.7 | 16.9 | 0 | 0 | 0 | 108.3 | V164 | V164-N166 PolarHBondContact O-N 3.07Š|
| 167 | P | 44.5 | Very low | 43.2 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 143 | 168.2 | 2.6 | 19.1 | 0 | 0 | 0 | 111.3 | E165 | E165-P167 WeakPolarHBondContact O-CD 3.46Š|
| 168 | T | 40.1 | Very low | 42.9 | Very low | 215 Ų | 215 | 137.9 Ų | 137.9 | 100% | 1.319 | 80% | 0.801 | S | S | * | * | trans | -59.3 | 0 | -179.8 | -44.4 | 0 | 0 | 0 | 0 | 114.2 |
Retrieved 168 of 168 residues in 102.6 ms
(Link to these results)