| 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 | 29.4 | Very low | 33.2 | Very low | 250 Ų | 250 | 124.8 Ų | 124.8 | 100% | 1.232 | 72% | 0.716 | S | S | * | * | 0 | 113 | 0 | -73.1 | 161.2 | 165.3 | 0 | 0 | 106.9 | |||||
| 2 | A | 25.3 | Very low | 35.9 | Very low | 97 Ų | 97 | 115.8 Ų | 115.8 | 80% | 0.802 | 67% | 0.671 | S | S | * | * | trans | -87.9 | 139.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | S | 24.4 | Very low | 39 | Very low | 99 Ų | 99 | 109.5 Ų | 109.5 | 69% | 0.692 | 64% | 0.636 | S | S | * | * | trans | -73.6 | 126.3 | 171.3 | -168.5 | 0 | 0 | 0 | 0 | 108.5 | D5 | S3-D5 PolarHBondContact OG-OD1 3.36Š| ||
| 4 | I | 29.9 | Very low | 42.2 | Very low | 102 Ų | 102 | 102.1 Ų | 102.1 | 52% | 0.523 | 59% | 0.593 | S | S | . | * | trans | -89.6 | 103.2 | 164.8 | -59.2 | 177.5 | 0 | 0 | 0 | 105.5 | V6 | I4-V6 VanDerWaalsContact C-N 3.3Å; I4-V6 HydrophobicContact CG2-CG2 4.19Å; I4-V6 PolarHBondContact O-N 2.76Å | ||
| 5 | D | 27.6 | Very low | 45.3 | Very low | 131 Ų | 131 | 101.2 Ų | 101.2 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | trans | -72.8 | 86.2 | 179.4 | -82.3 | -6.4 | 0 | 0 | 0 | 110.7 | S3 S7 | S3-D5 PolarHBondContact OG-OD1 3.36Å; D5-S7 PolarHBondContact O-N 3.49Å; D5-S7 PolarHBondContact O-OG 2.88Å | ||
| 6 | V | 34.3 | Very low | 48 | Very low | 82 Ų | 82 | 96.9 Ų | 96.9 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | trans | -69 | 81.9 | 170.9 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | I4 T8 | I4-V6 VanDerWaalsContact C-N 3.3Å; I4-V6 HydrophobicContact CG2-CG2 4.19Å; I4-V6 PolarHBondContact O-N 2.76Å; V6-T8 VanDerWaalsContact C-N 3.33Å; V6-T8 HydrophobicContact CG1-CG2 4.17Å; V6-T8 PolarHBondContact O-N 2.97Å | ||
| 7 | S | 29.7 | Very low | 50.5 | Low | 84 Ų | 84 | 98.6 Ų | 98.6 | 59% | 0.587 | 57% | 0.571 | S | S | * | * | trans | -81.2 | 73.9 | -173.4 | 34.4 | 0 | 0 | 0 | 0 | 111.5 | D5 S9 | D5-S7 PolarHBondContact O-N 3.49Å; D5-S7 PolarHBondContact O-OG 2.88Å; S7-S9 PolarHBondContact O-N 3.27Å | ||
| 8 | T | 32.7 | Very low | 52.8 | Low | 121 Ų | 121 | 94.4 Ų | 94.4 | 74% | 0.742 | 55% | 0.546 | S | S | * | . | trans | -72.8 | 64.9 | 173.4 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | V6 | V6-T8 VanDerWaalsContact C-N 3.33Å; V6-T8 HydrophobicContact CG1-CG2 4.17Å; V6-T8 PolarHBondContact O-N 2.97Å | ||
| 9 | S | 34.4 | Very low | 54.9 | Low | 75 Ų | 75 | 92.1 Ų | 92.1 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | trans | -70.8 | 146.6 | 159.9 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | S7 D11 | S7-S9 PolarHBondContact O-N 3.27Å; S9-D11 VanDerWaalsContact C-N 3.25Å; S9-D11 VanDerWaalsContact CB-O 3.23Å; S9-D11 WeakPolarHBondContact CB-O 3.21Å; S9-D11 PolarHBondContact OG-N 3.34Å; S9-D11 PolarHBondContact OG-O 3.31Å | ||
| 10 | K | 45.1 | Very low | 56.8 | Low | 200 Ų | 200 | 87.8 Ų | 87.8 | 87% | 0.87 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -73.5 | -22.2 | 174.5 | -158.1 | 170.4 | -174.8 | 176.4 | 0 | 112.4 | ||
| 11 | D | 52.9 | Low | 58.3 | Low | 132 Ų | 132 | 85.6 Ų | 85.6 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -99.5 | 91.5 | 159.7 | -63.8 | -68.4 | 0 | 0 | 0 | 107.6 | S9 | S9-D11 VanDerWaalsContact C-N 3.25Å; S9-D11 VanDerWaalsContact CB-O 3.23Å; S9-D11 WeakPolarHBondContact CB-O 3.21Å; S9-D11 PolarHBondContact OG-N 3.34Å; S9-D11 PolarHBondContact OG-O 3.31Å |
| 12 | G | 64.9 | Low | 61.1 | Low | 17 Ų | 17 | 76.1 Ų | 76.1 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | trans | -81.4 | 161.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | V14 | G12-V14 PolarHBondContact O-N 2.88Å; G12-V14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | P | 77.1 | Confident | 63.7 | Low | 33 Ų | 33 | 77.4 Ų | 77.4 | 21% | 0.214 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -67.5 | -10.1 | 176.9 | 28.9 | -36.6 | 0 | 0 | 0 | 113.8 | P35 C75 A76 C79 L162 | P13-P35 HydrophobicContact CG-CB 3.74Å; P13-P35 HydrophobicContact CG-CG 3.59Å; P13-C75 WeakPolarHBondContact O-CA 3.3Å; P13-A76 PolarHBondContact O-N 3.48Å; P13-C79 HydrophobicContact CB-CB 4.47Å; P13-L162 HydrophobicContact CB-CD1 4.35Å; P13-L162 HydrophobicContact CG-CD1 4.19Å |
| 14 | V | 83.6 | Confident | 65.9 | Low | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 128 | 173.2 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | G12 P35 L73 C74 M160 L162 | G12-V14 PolarHBondContact O-N 2.88Å; G12-V14 VanDerWaalsContact O-N 3.14Å; V14-P35 HydrophobicContact CG2-CB 4.22Å; V14-L73 HydrophobicContact CG1-CB 4.48Å; V14-C74 WeakPolarHBondContact CA-O 3.42Å; V14-M160 HydrophobicContact CB-CE 3.89Å; V14-M160 HydrophobicContact CB-SD 4.14Å; V14-M160 HydrophobicContact CG1-CE 3.93Å; V14-M160 HydrophobicContact CG1-SD 3.58Å; V14-M160 VanDerWaalsContact CG1-SD 3.58Å; V14-M160 HydrophobicContact CG2-CE 4.33Å; V14-M160 HydrophobicContact CG2-SD 4.4Å; V14-L162 HydrophobicContact CG2-CD1 3.84Å; V14-L162 HydrophobicContact CG2-CD2 3.83Å; V14-L162 HydrophobicContact CG2-CG 4.39Å |
| 15 | N | 88.4 | Confident | 67.3 | Low | 89 Ų | 89 | 79 Ų | 79 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 156 | 169 | -69.3 | -38 | 0 | 0 | 0 | 110 | C74 | N15-C74 PolarHBondContact N-O 3.26Å; N15-C74 PolarHBondContact O-N 2.95Å |
| 16 | G | 88.6 | Confident | 69.2 | Low | 33 Ų | 33 | 81.7 Ų | 81.7 | 34% | 0.34 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 155.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L29 T72 | G16-L29 VanDerWaalsContact C-CD2 3.42Å; G16-T72 CarbonylContact C-O 3.55Å; G16-T72 VanDerWaalsContact CA-O 3.23Å; G16-T72 WeakPolarHBondContact CA-O 3.46Å |
| 17 | H | 90.2 | Very high | 71 | Confident | 126 Ų | 126 | 81.7 Ų | 81.7 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149.9 | 177 | 176.8 | -96 | 0 | 0 | 0 | 110 | I71 T72 | H17-I71 CarbonylContact O-C 3.55Å; H17-I71 WeakPolarHBondContact O-CA 3.11Å; H17-T72 PolarHBondContact N-O 3.34Å; H17-T72 PolarHBondContact O-N 3.01Å |
| 18 | T | 92.5 | Very high | 73.5 | Confident | 22 Ų | 22 | 84.1 Ų | 84.1 | 14% | 0.135 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.5 | 177 | 51.4 | 0 | 0 | 0 | 0 | 111.4 | W20 L29 L60 I71 | T18-W20 VanDerWaalsContact CB-O 3.22Å; T18-W20 WeakPolarHBondContact CB-O 3.5Å; T18-W20 PolarHBondContact O-N 3.44Å; T18-W20 PolarHBondContact OG1-O 2.86Å; T18-L29 HydrophobicContact CG2-CD1 3.91Å; T18-L29 HydrophobicContact CG2-CD2 3.84Å; T18-L29 HydrophobicContact CG2-CG 4.4Å; T18-L60 HydrophobicContact CG2-CD1 3.82Å; T18-L60 HydrophobicContact CG2-CD2 3.7Å; T18-L60 HydrophobicContact CG2-CG 4.44Å; T18-I71 HydrophobicContact CG2-CB 4.48Å; T18-I71 HydrophobicContact CG2-CG1 4.06Å; T18-I71 HydrophobicContact CG2-CG2 4.23Å |
| 19 | S | 92 | Very high | 76.1 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 35% | 0.35 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -65.5 | -20.4 | 169.4 | 53 | 0 | 0 | 0 | 0 | 113.6 | P68 V70 | S19-P68 PolarHBondContact OG-O 3Å; S19-V70 PolarHBondContact N-O 2.92Å; S19-V70 WeakPolarHBondContact OG-CA 3.26Å; S19-V70 PolarHBondContact OG-N 3.44Å; S19-V70 PolarHBondContact OG-O 3.44Å |
| 20 | W | 92.8 | Very high | 78.5 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 2% | 0.023 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -102.2 | 146.6 | 172.9 | -77.9 | 21.7 | 0 | 0 | 0 | 109.9 | T18 L60 E61 Q62 S67 P68 C69 L147 V153 | T18-W20 VanDerWaalsContact CB-O 3.22Å; T18-W20 WeakPolarHBondContact CB-O 3.5Å; T18-W20 PolarHBondContact O-N 3.44Å; T18-W20 PolarHBondContact OG1-O 2.86Å; W20-L60 HydrophobicContact CB-CB 4.02Å; W20-L60 HydrophobicContact CE3-CB 4.37Å; W20-E61 CarbonylContact C-O 3.5Å; W20-E61 WeakPolarHBondContact CA-O 3.31Å; W20-E61 VanDerWaalsContact CB-O 3.29Å; W20-E61 WeakPolarHBondContact CB-O 3.43Å; W20-Q62 HydrophobicContact CD2-CB 3.95Å; W20-Q62 HydrophobicContact CE3-CB 4.27Å; W20-Q62 HydrophobicContact CH2-CB 4.03Å; W20-Q62 HydrophobicContact CZ2-CB 3.68Å; W20-Q62 HydrophobicContact CZ2-CG 3.93Å; W20-Q62 HydrophobicContact CZ3-CB 4.31Å; W20-S67 WeakPolarHBondContact CZ2-O 3.37Å; W20-S67 PolarHBondContact NE1-O 3.02Å; W20-S67 PolarHBondContact NE1-OG 3.18Å; W20-P68 PolarHBondContact NE1-O 2.93Å; W20-C69 HydrophobicContact CD2-CB 3.6Å; W20-C69 HydrophobicContact CE3-CB 3.84Å; W20-C69 HydrophobicContact CG-CB 4.11Å; W20-C69 HydrophobicContact CH2-CB 4.09Å; W20-C69 HydrophobicContact CZ2-CB 3.84Å; W20-C69 HydrophobicContact CZ3-CB 4.08Å; W20-L147 HydrophobicContact CH2-CD1 3.42Å; W20-L147 VanDerWaalsContact CH2-CD1 3.42Å; W20-L147 HydrophobicContact CZ2-CD1 4.08Å; W20-L147 HydrophobicContact CZ3-CD1 3.95Å; W20-V153 HydrophobicContact CE3-CG1 3.98Å; W20-V153 HydrophobicContact CZ3-CB 4.4Å; W20-V153 HydrophobicContact CZ3-CG1 3.9Å |
| 21 | A | 89.3 | Confident | 80.4 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 36% | 0.355 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K23 L60 E61 V63 | A21-K23 PolarHBondContact O-N 3.24Å; A21-L60 WeakPolarHBondContact O-CA 3.42Å; A21-E61 PolarHBondContact N-O 3.35Å; A21-E61 PolarHBondContact O-N 3.5Å; A21-V63 HydrophobicContact CB-CG2 3.62Å |
| 22 | C | 87.3 | Confident | 82.1 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 124.5 | 167 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | R27 V58 L59 | C22-R27 PolarHBondContact SG-O 3.43Å; C22-V58 HydrophobicContact CB-CG1 4.49Å; C22-L59 WeakPolarHBondContact CA-O 3.3Å |
| 23 | K | 79.8 | Confident | 83.3 | Confident | 124 Ų | 124 | 65.4 Ų | 65.4 | 54% | 0.539 | 35% | 0.347 | S | S | . | . | trans | -105.3 | -1.9 | 174.4 | -78.2 | -150.1 | -175 | 162.6 | 0 | 115 | A21 Q25 L59 E61 | A21-K23 PolarHBondContact O-N 3.24Å; K23-Q25 PolarHBondContact O-N 2.93Å; K23-Q25 VanDerWaalsContact O-N 3.12Å; K23-L59 HydrophobicContact CB-CD2 4.47Å; K23-L59 PolarHBondContact N-O 2.69Å; K23-E61 VanDerWaalsContact CD-CD 3.47Å; K23-E61 HydrophobicContact CD-CG 4.06Å; K23-E61 WeakPolarHBondContact CD-OE2 3.28Å; K23-E61 WeakPolarHBondContact CE-OE2 3.47Å; K23-E61 HydrophobicContact CG-CB 4.44Å; K23-E61 HydrophobicContact CG-CG 4.1Å; K23-E61 IonicContact NZ-OE1 2.63Å; K23-E61 IonicContact NZ-OE2 3.74Å; K23-E61 PolarHBondContact NZ-OE2 3.22Å | ||
| 24 | S | 71.1 | Confident | 83.8 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | trans | -69.4 | 107.1 | 177.2 | -60 | 0 | 0 | 0 | 0 | 110.5 | E26 R27 L59 | S24-E26 PolarHBondContact O-N 3.34Å; S24-R27 PolarHBondContact O-N 3.47Å; S24-R27 VanDerWaalsContact O-O 3.11Å; S24-L59 PolarHBondContact OG-N 3.27Å; S24-L59 VanDerWaalsContact OG-N 3.13Å | ||
| 25 | Q | 59.9 | Low | 84 | Confident | 202 Ų | 202 | 67.1 Ų | 67.1 | 94% | 0.944 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.6 | -170.5 | -70.8 | 179 | -38 | 0 | 0 | 115.1 | K23 | K23-Q25 PolarHBondContact O-N 2.93Å; K23-Q25 VanDerWaalsContact O-N 3.12Å |
| 26 | E | 65.8 | Low | 84 | Confident | 189 Ų | 189 | 63.7 Ų | 63.7 | 88% | 0.883 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | 2.6 | -176.6 | -58.4 | -174.9 | 160.1 | 0 | 0 | 113.8 | S24 | S24-E26 PolarHBondContact O-N 3.34Š|
| 27 | R | 72.8 | Confident | 83.7 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 31% | 0.309 | 35% | 0.354 | S | S | . | . | trans | -130.6 | 137 | -173.7 | -72.2 | -73.5 | -171.1 | 137.1 | 1.3 | 112 | C22 S24 D31 V58 | C22-R27 PolarHBondContact SG-O 3.43Å; S24-R27 PolarHBondContact O-N 3.47Å; S24-R27 VanDerWaalsContact O-O 3.11Å; R27-D31 VanDerWaalsContact CA-OD2 3.3Å; R27-D31 WeakPolarHBondContact CA-OD2 3.38Å; R27-D31 VanDerWaalsContact CD-OD2 3.24Å; R27-D31 WeakPolarHBondContact CD-OD2 3.47Å; R27-V58 HydrophobicContact CB-CG2 4.36Å | ||
| 28 | Q | 83.2 | Confident | 82.6 | Confident | 134 Ų | 134 | 64.8 Ų | 64.8 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | trans | -109 | 165 | 173.5 | -64.1 | -174 | 2.7 | 0 | 0 | 110.4 | S30 D31 | Q28-S30 WeakPolarHBondContact CB-OG 3.46Å; Q28-S30 PolarHBondContact O-N 3.05Å; Q28-D31 PolarHBondContact N-OD2 3.39Å; Q28-D31 WeakPolarHBondContact O-CB 3.32Å; Q28-D31 PolarHBondContact O-N 3.01Å | ||
| 29 | L | 85.9 | Confident | 81 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -56.2 | -36.9 | 178.9 | -178.4 | 71.5 | 0 | 0 | 0 | 111.9 | G16 T18 D31 I32 L33 I71 | G16-L29 VanDerWaalsContact C-CD2 3.42Å; T18-L29 HydrophobicContact CG2-CD1 3.91Å; T18-L29 HydrophobicContact CG2-CD2 3.84Å; T18-L29 HydrophobicContact CG2-CG 4.4Å; L29-D31 PolarHBondContact O-N 2.92Å; L29-I32 HydrophobicContact CD1-CD1 4.08Å; L29-I32 HydrophobicContact CD1-CG1 4.21Å; L29-I32 WeakPolarHBondContact O-CG1 3.34Å; L29-I32 PolarHBondContact O-N 2.84Å; L29-I32 VanDerWaalsContact O-N 3.12Å; L29-L33 HydrophobicContact CG-CD2 4.23Å; L29-L33 HydrophobicContact CG-CG 4.35Å; L29-L33 WeakPolarHBondContact O-CG 3.19Å; L29-L33 PolarHBondContact O-N 2.83Å; L29-I71 HydrophobicContact CD1-CG2 4.35Å; L29-I71 HydrophobicContact CD2-CG2 4.02Å |
| 30 | S | 85.6 | Confident | 79.1 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -45.1 | -36.9 | 173.7 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | Q28 I32 L33 | Q28-S30 WeakPolarHBondContact CB-OG 3.46Å; Q28-S30 PolarHBondContact O-N 3.05Å; S30-I32 PolarHBondContact O-N 3.34Å; S30-L33 PolarHBondContact O-N 3.06Å; S30-L33 VanDerWaalsContact O-N 3.15Å |
| 31 | D | 84.6 | Confident | 76.9 | Confident | 63 Ų | 63 | 80.5 Ų | 80.5 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -77.4 | -7.6 | -169 | -45.5 | -20 | 0 | 0 | 0 | 112.5 | R27 Q28 L29 C55 | R27-D31 VanDerWaalsContact CA-OD2 3.3Å; R27-D31 WeakPolarHBondContact CA-OD2 3.38Å; R27-D31 VanDerWaalsContact CD-OD2 3.24Å; R27-D31 WeakPolarHBondContact CD-OD2 3.47Å; Q28-D31 PolarHBondContact N-OD2 3.39Å; Q28-D31 WeakPolarHBondContact O-CB 3.32Å; Q28-D31 PolarHBondContact O-N 3.01Å; L29-D31 PolarHBondContact O-N 2.92Å; D31-C55 PolarHBondContact O-SG 3.28Å; D31-C55 VanDerWaalsContact O-SG 3.39Å |
| 32 | I | 88.1 | Confident | 75.2 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -116.8 | -1.7 | 172.5 | 64.4 | 160.7 | 0 | 0 | 0 | 113.1 | L29 S30 V58 V155 A156 V158 | L29-I32 HydrophobicContact CD1-CD1 4.08Å; L29-I32 HydrophobicContact CD1-CG1 4.21Å; L29-I32 WeakPolarHBondContact O-CG1 3.34Å; L29-I32 PolarHBondContact O-N 2.84Å; L29-I32 VanDerWaalsContact O-N 3.12Å; S30-I32 PolarHBondContact O-N 3.34Å; I32-V58 HydrophobicContact CD1-CB 4.07Å; I32-V58 HydrophobicContact CD1-CG2 4.11Å; I32-V58 HydrophobicContact CG1-CG2 4.1Å; I32-V58 HydrophobicContact CG2-CG2 3.83Å; I32-V155 HydrophobicContact CD1-CB 3.68Å; I32-V155 HydrophobicContact CD1-CG1 3.52Å; I32-V155 WeakPolarHBondContact CD1-O 3.3Å; I32-A156 WeakPolarHBondContact CG2-O 3.25Å; I32-V158 HydrophobicContact CD1-CG2 4.43Å; I32-V158 PolarHBondContact O-N 2.81Å |
| 33 | L | 90.2 | Very high | 74 | Confident | 15 Ų | 15 | 80.7 Ų | 80.7 | 8% | 0.079 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 121.3 | 173.5 | -63.2 | -170.4 | 0 | 0 | 0 | 109.7 | L29 S30 L73 V158 M160 | L29-L33 HydrophobicContact CG-CD2 4.23Å; L29-L33 HydrophobicContact CG-CG 4.35Å; L29-L33 WeakPolarHBondContact O-CG 3.19Å; L29-L33 PolarHBondContact O-N 2.83Å; S30-L33 PolarHBondContact O-N 3.06Å; S30-L33 VanDerWaalsContact O-N 3.15Å; L33-L73 HydrophobicContact CD2-CD2 3.86Å; L33-V158 HydrophobicContact CD2-CB 3.91Å; L33-V158 HydrophobicContact CD2-CG1 4.17Å; L33-V158 HydrophobicContact CD2-CG2 4.45Å; L33-M160 HydrophobicContact CB-CE 3.81Å; L33-M160 HydrophobicContact CD2-CE 4.28Å; L33-M160 HydrophobicContact CG-CE 4.42Å |
| 34 | L | 89.1 | Confident | 73.4 | Confident | 34 Ų | 34 | 75 Ų | 75 | 18% | 0.178 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 87.5 | -178.7 | -68.7 | 174 | 0 | 0 | 0 | 110.3 | R157 V158 V159 M160 | L34-R157 HydrophobicContact CD1-CG 3.71Å; L34-V158 PolarHBondContact N-O 3.25Å; L34-V159 HydrophobicContact CB-CG1 4.31Å; L34-V159 HydrophobicContact CB-CG2 4.28Å; L34-V159 VanDerWaalsContact O-CA 3.31Å; L34-V159 WeakPolarHBondContact O-CA 2.99Å; L34-V159 WeakPolarHBondContact O-CG1 3.34Å; L34-M160 PolarHBondContact O-N 3.44Å |
| 35 | P | 87.5 | Confident | 72.9 | Confident | 40 Ų | 40 | 74.9 Ų | 74.9 | 26% | 0.26 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 132.8 | 170.9 | 27.4 | -31.6 | 0 | 0 | 0 | 110.4 | P13 V14 M160 L162 | P13-P35 HydrophobicContact CG-CB 3.74Å; P13-P35 HydrophobicContact CG-CG 3.59Å; V14-P35 HydrophobicContact CG2-CB 4.22Å; P35-M160 HydrophobicContact CB-CE 4.41Å; P35-L162 HydrophobicContact CB-CD1 3.57Å; P35-L162 HydrophobicContact CB-CG 4.28Å |
| 36 | V | 87.2 | Confident | 72.7 | Confident | 18 Ų | 18 | 71 Ų | 71 | 11% | 0.109 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.1 | -179.2 | 167.8 | 0 | 0 | 0 | 0 | 108.5 | S38 I44 I47 V159 M160 L162 | V36-S38 PolarHBondContact O-N 3.09Å; V36-I44 HydrophobicContact CG1-CG1 4.42Å; V36-I47 HydrophobicContact CB-CD1 4.43Å; V36-I47 HydrophobicContact CG1-CD1 3.41Å; V36-I47 VanDerWaalsContact CG1-CD1 3.41Å; V36-I47 HydrophobicContact CG2-CD1 4.25Å; V36-I47 HydrophobicContact CG2-CG2 4.41Å; V36-V159 HydrophobicContact CB-CG1 4.43Å; V36-V159 HydrophobicContact CG2-CG1 3.54Å; V36-M160 PolarHBondContact N-O 3.32Å; V36-L162 PolarHBondContact O-N 3.17Å |
| 37 | Q | 82.8 | Confident | 72.4 | Confident | 142 Ų | 142 | 62.8 Ų | 62.8 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 113.9 | 174.6 | -155.3 | 172.2 | 25.8 | 0 | 0 | 110.3 | S39 T164 | Q37-S39 PolarHBondContact O-N 2.85Å; Q37-T164 PolarHBondContact NE2-OG1 2.97Å |
| 38 | S | 67.7 | Low | 71.6 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | trans | -83.2 | 92.5 | -173.6 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | V36 L162 | V36-S38 PolarHBondContact O-N 3.09Å; S38-L162 PolarHBondContact N-O 2.92Å | ||
| 39 | S | 58.5 | Low | 70.2 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | trans | -66.4 | 159.7 | 161.4 | 89.3 | 0 | 0 | 0 | 0 | 110.5 | Q37 N41 T42 | Q37-S39 PolarHBondContact O-N 2.85Å; S39-N41 PolarHBondContact O-N 2.86Å; S39-T42 VanDerWaalsContact C-OG1 3.27Å; S39-T42 VanDerWaalsContact CA-OG1 3.31Å; S39-T42 WeakPolarHBondContact CA-OG1 3.41Å; S39-T42 WeakPolarHBondContact CB-OG1 3.39Å; S39-T42 PolarHBondContact N-OG1 2.78Å; S39-T42 PolarHBondContact O-N 2.97Å; S39-T42 PolarHBondContact O-OG1 3.4Å; S39-T42 PolarHBondContact OG-OG1 3.19Å | ||
| 40 | I | 51.3 | Low | 68.4 | Low | 171 Ų | 171 | 66 Ų | 66 | 88% | 0.877 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -21.7 | -165.9 | -66.2 | 168.7 | 0 | 0 | 0 | 114.7 | ||
| 41 | N | 46.7 | Very low | 66.8 | Low | 157 Ų | 157 | 64.4 Ų | 64.4 | 84% | 0.84 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 22.2 | 178.5 | -71.1 | -60.1 | 0 | 0 | 0 | 114.1 | S39 D43 | S39-N41 PolarHBondContact O-N 2.86Å; N41-D43 PolarHBondContact O-N 3.21Å |
| 42 | T | 54.2 | Low | 65.2 | Low | 42 Ų | 42 | 66.6 Ų | 66.6 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | trans | -92.4 | 94.5 | -173.1 | -24.8 | 0 | 0 | 0 | 0 | 112.1 | S39 I44 I47 | S39-T42 VanDerWaalsContact C-OG1 3.27Å; S39-T42 VanDerWaalsContact CA-OG1 3.31Å; S39-T42 WeakPolarHBondContact CA-OG1 3.41Å; S39-T42 WeakPolarHBondContact CB-OG1 3.39Å; S39-T42 PolarHBondContact N-OG1 2.78Å; S39-T42 PolarHBondContact O-N 2.97Å; S39-T42 PolarHBondContact O-OG1 3.4Å; S39-T42 PolarHBondContact OG-OG1 3.19Å; T42-I44 PolarHBondContact O-N 3.4Å; T42-I47 HydrophobicContact CG2-CD1 3.83Å | ||
| 43 | D | 61.4 | Low | 63.5 | Low | 57 Ų | 57 | 71.2 Ų | 71.2 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | trans | -74.5 | 108 | 172.4 | 176.2 | 18.3 | 0 | 0 | 0 | 111.4 | N41 S45 Q46 | N41-D43 PolarHBondContact O-N 3.21Å; D43-S45 VanDerWaalsContact CG-OG 3.27Å; D43-S45 PolarHBondContact O-N 3Å; D43-S45 WeakPolarHBondContact OD1-CA 3.22Å; D43-S45 WeakPolarHBondContact OD1-CB 3.48Å; D43-S45 PolarHBondContact OD1-N 2.89Å; D43-S45 PolarHBondContact OD1-OG 3.19Å; D43-S45 VanDerWaalsContact OD1-OG 3.12Å; D43-S45 PolarHBondContact OD2-OG 3.36Å; D43-Q46 HydrophobicContact CB-CG 4.31Å; D43-Q46 WeakPolarHBondContact O-CB 3.33Å; D43-Q46 PolarHBondContact O-N 3.18Å; D43-Q46 WeakPolarHBondContact OD2-CG 3.45Å; D43-Q46 PolarHBondContact OD2-NE2 3.07Å | ||
| 44 | I | 68.2 | Low | 61.8 | Low | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.2 | -22.3 | 178.4 | -67.3 | 149.6 | 0 | 0 | 0 | 112 | V36 T42 Q46 I47 D48 S85 L87 V159 G161 | V36-I44 HydrophobicContact CG1-CG1 4.42Å; T42-I44 PolarHBondContact O-N 3.4Å; I44-Q46 PolarHBondContact O-N 2.83Å; I44-I47 HydrophobicContact CG1-CD1 4.15Å; I44-I47 PolarHBondContact O-N 2.87Å; I44-D48 PolarHBondContact O-N 3.11Å; I44-S85 WeakPolarHBondContact CD1-OG 3.32Å; I44-L87 HydrophobicContact CG2-CB 3.89Å; I44-L87 HydrophobicContact CG2-CD1 4.3Å; I44-V159 HydrophobicContact CG2-CB 4.08Å; I44-V159 HydrophobicContact CG2-CG1 3.72Å; I44-G161 VanDerWaalsContact CD1-CA 3.4Å |
| 45 | S | 60.1 | Low | 60.5 | Low | 29 Ų | 29 | 73.6 Ų | 73.6 | 20% | 0.203 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.1 | -19.5 | 173.5 | 103.2 | 0 | 0 | 0 | 0 | 113.4 | D43 R128 | D43-S45 VanDerWaalsContact CG-OG 3.27Å; D43-S45 PolarHBondContact O-N 3Å; D43-S45 WeakPolarHBondContact OD1-CA 3.22Å; D43-S45 WeakPolarHBondContact OD1-CB 3.48Å; D43-S45 PolarHBondContact OD1-N 2.89Å; D43-S45 PolarHBondContact OD1-OG 3.19Å; D43-S45 VanDerWaalsContact OD1-OG 3.12Å; D43-S45 PolarHBondContact OD2-OG 3.36Å; S45-R128 PolarHBondContact O-NH1 3.41Å; S45-R128 PolarHBondContact O-NH2 2.95Å; S45-R128 VanDerWaalsContact O-NH2 3.12Å |
| 46 | Q | 56.6 | Low | 60 | Low | 121 Ų | 121 | 75.7 Ų | 75.7 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -92 | -38.8 | 177 | -64.8 | 170.8 | 44.9 | 0 | 0 | 112 | D43 I44 D48 R49 D50 | D43-Q46 HydrophobicContact CB-CG 4.31Å; D43-Q46 WeakPolarHBondContact O-CB 3.33Å; D43-Q46 PolarHBondContact O-N 3.18Å; D43-Q46 WeakPolarHBondContact OD2-CG 3.45Å; D43-Q46 PolarHBondContact OD2-NE2 3.07Å; I44-Q46 PolarHBondContact O-N 2.83Å; Q46-D48 VanDerWaalsContact C-N 3.26Å; Q46-D48 PolarHBondContact O-N 2.86Å; Q46-R49 WeakPolarHBondContact O-CA 3.39Å; Q46-R49 WeakPolarHBondContact O-CB 3.31Å; Q46-R49 PolarHBondContact O-N 2.92Å; Q46-D50 PolarHBondContact O-N 3.18Å |
| 47 | I | 58.5 | Low | 60 | Low | 16 Ų | 16 | 75.9 Ų | 75.9 | 8% | 0.082 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.6 | -35.1 | -179.7 | -52 | 174.5 | 0 | 0 | 0 | 112.1 | V36 T42 I44 R49 D50 T51 | V36-I47 HydrophobicContact CB-CD1 4.43Å; V36-I47 HydrophobicContact CG1-CD1 3.41Å; V36-I47 VanDerWaalsContact CG1-CD1 3.41Å; V36-I47 HydrophobicContact CG2-CD1 4.25Å; V36-I47 HydrophobicContact CG2-CG2 4.41Å; T42-I47 HydrophobicContact CG2-CD1 3.83Å; I44-I47 HydrophobicContact CG1-CD1 4.15Å; I44-I47 PolarHBondContact O-N 2.87Å; I47-R49 PolarHBondContact O-N 3.31Å; I47-D50 PolarHBondContact O-N 2.86Å; I47-T51 PolarHBondContact O-N 2.67Å; I47-T51 PolarHBondContact O-OG1 2.95Å |
| 48 | D | 55.5 | Low | 60.3 | Low | 13 Ų | 13 | 69.1 Ų | 69.1 | 7% | 0.07 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.5 | -16.1 | 173.8 | 173.4 | 74.5 | 0 | 0 | 0 | 113.5 | I44 Q46 L87 R128 R157 | I44-D48 PolarHBondContact O-N 3.11Å; Q46-D48 VanDerWaalsContact C-N 3.26Å; Q46-D48 PolarHBondContact O-N 2.86Å; D48-L87 HydrophobicContact CB-CD1 3.97Å; D48-L87 HydrophobicContact CB-CD2 3.87Å; D48-R128 WeakPolarHBondContact OD2-CD 3.46Å; D48-R128 IonicContact OD2-CZ 3.64Å; D48-R128 IonicContact OD2-NE 3.75Å; D48-R128 IonicContact OD2-NH1 2.74Å; D48-R128 PolarHBondContact OD2-NH1 3.41Å; D48-R157 WeakPolarHBondContact OD1-CD 3.48Å; D48-R157 IonicContact OD1-CZ 2.69Å; D48-R157 IonicContact OD1-NE 3.62Å; D48-R157 PolarHBondContact OD1-NE 3.37Å |
| 49 | R | 54.3 | Low | 61.4 | Low | 152 Ų | 152 | 69.3 Ų | 69.3 | 57% | 0.574 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -87.3 | -30.4 | 172.7 | -48.2 | -144.7 | 80.3 | -150.6 | 2.4 | 113.2 | Q46 I47 | Q46-R49 WeakPolarHBondContact O-CA 3.39Å; Q46-R49 WeakPolarHBondContact O-CB 3.31Å; Q46-R49 PolarHBondContact O-N 2.92Å; I47-R49 PolarHBondContact O-N 3.31Å |
| 50 | D | 47.5 | Very low | 63 | Low | 133 Ų | 133 | 65.5 Ų | 65.5 | 71% | 0.711 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -88.2 | -21.4 | -178.5 | -69.4 | -19.4 | 0 | 0 | 0 | 112.9 | Q46 I47 | Q46-D50 PolarHBondContact O-N 3.18Å; I47-D50 PolarHBondContact O-N 2.86Å |
| 51 | T | 53.4 | Low | 64.9 | Low | 26 Ų | 26 | 59.9 Ų | 59.9 | 16% | 0.16 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -79.1 | 124 | 172 | 41.6 | 0 | 0 | 0 | 0 | 110.8 | I47 R157 | I47-T51 PolarHBondContact O-N 2.67Å; I47-T51 PolarHBondContact O-OG1 2.95Å; T51-R157 PolarHBondContact O-NH2 2.97Å |
| 52 | P | 50.4 | Low | 67.1 | Low | 108 Ų | 108 | 55.4 Ų | 55.4 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | trans | -59.9 | 146.4 | -169.5 | 21.4 | -32.8 | 0 | 0 | 0 | 113.3 | G54 R157 | P52-G54 PolarHBondContact O-N 2.95Å; P52-R157 PolarHBondContact O-NH2 3.32Å | ||
| 53 | N | 53.2 | Low | 68.7 | Low | 99 Ų | 99 | 58.6 Ų | 58.6 | 53% | 0.529 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -69.1 | 21.7 | -177.2 | -62.5 | -27 | 0 | 0 | 0 | 114.4 | ||
| 54 | G | 53.9 | Low | 69.9 | Low | 63 Ų | 63 | 62.7 Ų | 62.7 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | trans | -93.1 | 11.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | P52 V56 | P52-G54 PolarHBondContact O-N 2.95Å; G54-V56 PolarHBondContact O-N 3.15Å | ||
| 55 | C | 61.5 | Low | 70.8 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | trans | -87.6 | 105.6 | 179 | -138.3 | 0 | 0 | 0 | 0 | 111 | D31 | D31-C55 PolarHBondContact O-SG 3.28Å; D31-C55 VanDerWaalsContact O-SG 3.39Å | ||
| 56 | V | 77.1 | Confident | 71.9 | Confident | 84 Ų | 84 | 73.4 Ų | 73.4 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.5 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 109 | G54 | G54-V56 PolarHBondContact O-N 3.15Š|
| 57 | P | 86.4 | Confident | 73.5 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 145.7 | -173 | 26.4 | -34.9 | 0 | 0 | 0 | 113.4 | F126 A154 V155 A156 | P57-F126 HydrophobicContact CB-CE1 4.14Å; P57-F126 HydrophobicContact CB-CZ 3.82Å; P57-F126 HydrophobicContact CG-CZ 3.97Å; P57-A154 HydrophobicContact CB-CB 4.05Å; P57-V155 CarbonylContact C-O 3.59Å; P57-V155 WeakPolarHBondContact CA-O 3.31Å; P57-A156 HydrophobicContact CB-CB 4.29Å |
| 58 | V | 89.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 127.8 | 169.8 | 172.1 | 0 | 0 | 0 | 0 | 109.1 | C22 R27 I32 L60 A154 V155 | C22-V58 HydrophobicContact CB-CG1 4.49Å; R27-V58 HydrophobicContact CB-CG2 4.36Å; I32-V58 HydrophobicContact CD1-CB 4.07Å; I32-V58 HydrophobicContact CD1-CG2 4.11Å; I32-V58 HydrophobicContact CG1-CG2 4.1Å; I32-V58 HydrophobicContact CG2-CG2 3.83Å; V58-L60 HydrophobicContact CG1-CD2 3.9Å; V58-L60 HydrophobicContact CG1-CG 4.49Å; V58-A154 WeakPolarHBondContact O-CA 3.32Å; V58-V155 PolarHBondContact N-O 3.02Å; V58-V155 PolarHBondContact O-N 3.15Å |
| 59 | L | 91.1 | Very high | 76.9 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 23% | 0.225 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.7 | 175.1 | 179.4 | 60.1 | 0 | 0 | 0 | 110.2 | C22 K23 S24 E61 R123 | C22-L59 WeakPolarHBondContact CA-O 3.3Å; K23-L59 HydrophobicContact CB-CD2 4.47Å; K23-L59 PolarHBondContact N-O 2.69Å; S24-L59 PolarHBondContact OG-N 3.27Å; S24-L59 VanDerWaalsContact OG-N 3.13Å; L59-E61 HydrophobicContact CD2-CG 4.49Å; L59-E61 HydrophobicContact CG-CG 4.19Å; L59-R123 VanDerWaalsContact CD1-NH2 3.3Å |
| 60 | L | 92.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.2 | 172 | -55.6 | 179.7 | 0 | 0 | 0 | 109.5 | T18 W20 A21 V58 I71 S152 V153 V155 | T18-L60 HydrophobicContact CG2-CD1 3.82Å; T18-L60 HydrophobicContact CG2-CD2 3.7Å; T18-L60 HydrophobicContact CG2-CG 4.44Å; W20-L60 HydrophobicContact CB-CB 4.02Å; W20-L60 HydrophobicContact CE3-CB 4.37Å; A21-L60 WeakPolarHBondContact O-CA 3.42Å; V58-L60 HydrophobicContact CG1-CD2 3.9Å; V58-L60 HydrophobicContact CG1-CG 4.49Å; L60-I71 HydrophobicContact CD1-CD1 4.27Å; L60-I71 HydrophobicContact CD1-CG1 4.37Å; L60-S152 CarbonylContact O-C 3.53Å; L60-S152 VanDerWaalsContact O-CA 3.22Å; L60-S152 WeakPolarHBondContact O-CA 3.23Å; L60-V153 HydrophobicContact CB-CG1 4.01Å; L60-V153 HydrophobicContact CD1-CG1 4.46Å; L60-V153 PolarHBondContact N-O 3.37Å; L60-V153 PolarHBondContact O-N 2.96Å; L60-V155 HydrophobicContact CD1-CG2 3.83Å; L60-V155 HydrophobicContact CG-CG2 4.39Å |
| 61 | E | 91.9 | Very high | 81.2 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142 | 175.6 | -61.6 | -156.7 | -176 | 0 | 0 | 113 | W20 A21 K23 L59 V63 G151 | W20-E61 CarbonylContact C-O 3.5Å; W20-E61 WeakPolarHBondContact CA-O 3.31Å; W20-E61 VanDerWaalsContact CB-O 3.29Å; W20-E61 WeakPolarHBondContact CB-O 3.43Å; A21-E61 PolarHBondContact N-O 3.35Å; A21-E61 PolarHBondContact O-N 3.5Å; K23-E61 VanDerWaalsContact CD-CD 3.47Å; K23-E61 HydrophobicContact CD-CG 4.06Å; K23-E61 WeakPolarHBondContact CD-OE2 3.28Å; K23-E61 WeakPolarHBondContact CE-OE2 3.47Å; K23-E61 HydrophobicContact CG-CB 4.44Å; K23-E61 HydrophobicContact CG-CG 4.1Å; K23-E61 IonicContact NZ-OE1 2.63Å; K23-E61 IonicContact NZ-OE2 3.74Å; K23-E61 PolarHBondContact NZ-OE2 3.22Å; L59-E61 HydrophobicContact CD2-CG 4.49Å; L59-E61 HydrophobicContact CG-CG 4.19Å; E61-V63 PolarHBondContact O-N 3.43Å; E61-G151 WeakPolarHBondContact CA-O 3.39Å |
| 62 | Q | 92.1 | Very high | 83.2 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | trans | -66.1 | 120.4 | -179 | -176.2 | 168.1 | 67.5 | 0 | 0 | 111.2 | W20 E64 G66 S67 G151 | W20-Q62 HydrophobicContact CD2-CB 3.95Å; W20-Q62 HydrophobicContact CE3-CB 4.27Å; W20-Q62 HydrophobicContact CH2-CB 4.03Å; W20-Q62 HydrophobicContact CZ2-CB 3.68Å; W20-Q62 HydrophobicContact CZ2-CG 3.93Å; W20-Q62 HydrophobicContact CZ3-CB 4.31Å; Q62-E64 VanDerWaalsContact CD-O 3.23Å; Q62-E64 WeakPolarHBondContact CG-O 3.13Å; Q62-E64 PolarHBondContact NE2-O 3.21Å; Q62-G66 VanDerWaalsContact NE2-N 3.2Å; Q62-S67 PolarHBondContact NE2-O 3.43Å; Q62-G151 WeakPolarHBondContact CB-O 3.39Å; Q62-G151 PolarHBondContact N-O 3.18Å | ||
| 63 | V | 87.7 | Confident | 85.3 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 66% | 0.661 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -83.6 | -34.5 | 178.9 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | A21 E61 | A21-V63 HydrophobicContact CB-CG2 3.62Å; E61-V63 PolarHBondContact O-N 3.43Å |
| 64 | E | 87.6 | Confident | 87.2 | Confident | 143 Ų | 143 | 50.7 Ų | 50.7 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -126.8 | 130.4 | -177.3 | 179.4 | 178.5 | -154.4 | 0 | 0 | 109.9 | Q62 G66 S67 | Q62-E64 VanDerWaalsContact CD-O 3.23Å; Q62-E64 WeakPolarHBondContact CG-O 3.13Å; Q62-E64 PolarHBondContact NE2-O 3.21Å; E64-G66 PolarHBondContact O-N 2.87Å; E64-G66 VanDerWaalsContact O-N 3.11Å; E64-S67 PolarHBondContact O-N 3.15Å; E64-S67 PolarHBondContact O-OG 3.17Å; E64-S67 VanDerWaalsContact O-OG 3.12Å |
| 65 | Q | 85.4 | Confident | 88.9 | Confident | 193 Ų | 193 | 48.6 Ų | 48.6 | 90% | 0.902 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 115.1 | -171.8 | -171.2 | 173.9 | 21.7 | 0 | 0 | 111.7 | ||
| 66 | G | 83.1 | Confident | 90.1 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -5.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q62 E64 | Q62-G66 VanDerWaalsContact NE2-N 3.2Å; E64-G66 PolarHBondContact O-N 2.87Å; E64-G66 VanDerWaalsContact O-N 3.11Å |
| 67 | S | 90.2 | Very high | 90.1 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | trans | -65.6 | 138.2 | 176.3 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | W20 Q62 E64 | W20-S67 WeakPolarHBondContact CZ2-O 3.37Å; W20-S67 PolarHBondContact NE1-O 3.02Å; W20-S67 PolarHBondContact NE1-OG 3.18Å; Q62-S67 PolarHBondContact NE2-O 3.43Å; E64-S67 PolarHBondContact O-N 3.15Å; E64-S67 PolarHBondContact O-OG 3.17Å; E64-S67 VanDerWaalsContact O-OG 3.12Å | ||
| 68 | P | 92.7 | Very high | 89.6 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | trans | -69.9 | 144.5 | 178.9 | 29.6 | -34.8 | 0 | 0 | 0 | 111.2 | S19 W20 V70 K143 | S19-P68 PolarHBondContact OG-O 3Å; W20-P68 PolarHBondContact NE1-O 2.93Å; P68-V70 HydrophobicContact CB-CG2 4.21Å; P68-V70 HydrophobicContact CG-CG2 4.11Å; P68-V70 PolarHBondContact O-N 3.45Å; P68-K143 HydrophobicContact CB-CG 4.48Å | ||
| 69 | C | 94.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 89.7 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | W20 L144 L147 V153 | W20-C69 HydrophobicContact CD2-CB 3.6Å; W20-C69 HydrophobicContact CE3-CB 3.84Å; W20-C69 HydrophobicContact CG-CB 4.11Å; W20-C69 HydrophobicContact CH2-CB 4.09Å; W20-C69 HydrophobicContact CZ2-CB 3.84Å; W20-C69 HydrophobicContact CZ3-CB 4.08Å; C69-L144 HydrophobicContact CB-CB 4.15Å; C69-L144 PolarHBondContact O-N 3.08Å; C69-L147 HydrophobicContact CB-CD1 3.99Å; C69-V153 HydrophobicContact CB-CG1 4.44Å; C69-V153 VanDerWaalsContact SG-CG1 3.6Å |
| 70 | V | 95.8 | Very high | 88.3 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 11% | 0.109 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.8 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | S19 P68 E141 K143 | S19-V70 PolarHBondContact N-O 2.92Å; S19-V70 WeakPolarHBondContact OG-CA 3.26Å; S19-V70 PolarHBondContact OG-N 3.44Å; S19-V70 PolarHBondContact OG-O 3.44Å; P68-V70 HydrophobicContact CB-CG2 4.21Å; P68-V70 HydrophobicContact CG-CG2 4.11Å; P68-V70 PolarHBondContact O-N 3.45Å; V70-E141 HydrophobicContact CG1-CB 3.84Å; V70-E141 HydrophobicContact CG1-CG 4.41Å; V70-K143 HydrophobicContact CG2-CB 4.22Å; V70-K143 HydrophobicContact CG2-CG 4.18Å |
| 71 | I | 95.9 | Very high | 88 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 110.2 | 168 | -48.9 | -177.9 | 0 | 0 | 0 | 107.8 | H17 T18 L29 L60 L73 V142 L144 V155 | H17-I71 CarbonylContact O-C 3.55Å; H17-I71 WeakPolarHBondContact O-CA 3.11Å; T18-I71 HydrophobicContact CG2-CB 4.48Å; T18-I71 HydrophobicContact CG2-CG1 4.06Å; T18-I71 HydrophobicContact CG2-CG2 4.23Å; L29-I71 HydrophobicContact CD1-CG2 4.35Å; L29-I71 HydrophobicContact CD2-CG2 4.02Å; L60-I71 HydrophobicContact CD1-CD1 4.27Å; L60-I71 HydrophobicContact CD1-CG1 4.37Å; I71-L73 HydrophobicContact CG2-CD2 4Å; I71-L73 HydrophobicContact CG2-CG 4.49Å; I71-V142 HydrophobicContact CB-CB 4.46Å; I71-V142 PolarHBondContact N-O 3.14Å; I71-V142 PolarHBondContact O-N 2.62Å; I71-L144 HydrophobicContact CD1-CD1 4.22Å; I71-L144 HydrophobicContact CD1-CG 4.47Å; I71-V155 HydrophobicContact CD1-CG1 4.45Å; I71-V155 HydrophobicContact CD1-CG2 4.21Å |
| 72 | T | 95 | Very high | 88 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 17% | 0.166 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 132.5 | 174.5 | -46.6 | 0 | 0 | 0 | 0 | 108.6 | G16 H17 E141 | G16-T72 CarbonylContact C-O 3.55Å; G16-T72 VanDerWaalsContact CA-O 3.23Å; G16-T72 WeakPolarHBondContact CA-O 3.46Å; H17-T72 PolarHBondContact N-O 3.34Å; H17-T72 PolarHBondContact O-N 3.01Å; T72-E141 HydrophobicContact CG2-CG 4.18Å; T72-E141 PolarHBondContact OG1-OE1 3.06Å |
| 73 | L | 94.8 | Very high | 88 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.8 | 180 | -59.1 | 173 | 0 | 0 | 0 | 109.2 | V14 L33 I71 I83 L86 S139 C140 V142 V158 M160 | V14-L73 HydrophobicContact CG1-CB 4.48Å; L33-L73 HydrophobicContact CD2-CD2 3.86Å; I71-L73 HydrophobicContact CG2-CD2 4Å; I71-L73 HydrophobicContact CG2-CG 4.49Å; L73-I83 HydrophobicContact CB-CD1 4.11Å; L73-L86 HydrophobicContact CD1-CD2 3.78Å; L73-S139 CarbonylContact O-C 3.51Å; L73-S139 WeakPolarHBondContact O-CA 3.44Å; L73-S139 VanDerWaalsContact O-CB 3.32Å; L73-S139 WeakPolarHBondContact O-CB 3.41Å; L73-S139 PolarHBondContact O-OG 3.27Å; L73-C140 PolarHBondContact N-O 3.47Å; L73-C140 PolarHBondContact O-N 2.91Å; L73-V142 HydrophobicContact CD1-CG2 3.79Å; L73-V158 HydrophobicContact CD1-CG1 4.09Å; L73-V158 HydrophobicContact CD2-CG1 4.48Å; L73-M160 HydrophobicContact CB-SD 4.48Å; L73-M160 HydrophobicContact CD1-CG 4.29Å; L73-M160 HydrophobicContact CD1-SD 3.88Å; L73-M160 HydrophobicContact CD2-SD 3.98Å; L73-M160 HydrophobicContact CG-SD 4.33Å |
| 74 | C | 92.4 | Very high | 88.2 | Confident | 47 Ų | 47 | 51 Ų | 51 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 121.7 | -175.3 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | V14 N15 S139 | V14-C74 WeakPolarHBondContact CA-O 3.42Å; N15-C74 PolarHBondContact N-O 3.26Å; N15-C74 PolarHBondContact O-N 2.95Å; C74-S139 PolarHBondContact SG-OG 3.32Å |
| 75 | C | 89.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 142.9 | 168.6 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | P13 A81 A138 | P13-C75 WeakPolarHBondContact O-CA 3.3Å; C75-A81 PolarHBondContact SG-O 3.31Å; C75-A138 WeakPolarHBondContact CB-O 3.4Å; C75-A138 PolarHBondContact N-O 3.38Å |
| 76 | A | 86.1 | Confident | 88.9 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | trans | -65.4 | 139.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P13 H78 C79 | P13-A76 PolarHBondContact O-N 3.48Å; A76-H78 PolarHBondContact O-N 2.93Å; A76-C79 HydrophobicContact CB-CB 4.35Å; A76-C79 WeakPolarHBondContact O-CB 3.48Å; A76-C79 PolarHBondContact O-N 3.22Å | ||
| 77 | P | 77.6 | Confident | 89.4 | Confident | 135 Ų | 135 | 32.3 Ų | 32.3 | 88% | 0.877 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -6.9 | -170.6 | 27.1 | -36.4 | 0 | 0 | 0 | 114.8 | ||
| 78 | H | 76.6 | Confident | 89.6 | Confident | 152 Ų | 152 | 31.1 Ų | 31.1 | 70% | 0.704 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 1.2 | 173.7 | 60.5 | -102.4 | 0 | 0 | 0 | 113 | A76 | A76-H78 PolarHBondContact O-N 2.93Š|
| 79 | C | 73.5 | Confident | 89.6 | Confident | 35 Ų | 35 | 27.9 Ų | 27.9 | 24% | 0.236 | 17% | 0.166 | C | C | . | . | trans | -111.7 | 115.2 | -178.8 | -167.8 | 0 | 0 | 0 | 0 | 109.9 | P13 A76 A81 | P13-C79 HydrophobicContact CB-CB 4.47Å; A76-C79 HydrophobicContact CB-CB 4.35Å; A76-C79 WeakPolarHBondContact O-CB 3.48Å; A76-C79 PolarHBondContact O-N 3.22Å; C79-A81 PolarHBondContact O-N 3.43Å | ||
| 80 | P | 79 | Confident | 89.6 | Confident | 72 Ų | 72 | 27.9 Ų | 27.9 | 47% | 0.468 | 17% | 0.166 | S | C | . | . | trans | -79 | 57.6 | 178.3 | 34 | -35.5 | 0 | 0 | 0 | 110.9 | T164 L165 | P80-T164 HydrophobicContact CG-CG2 4.16Å; P80-T164 CarbonylContact O-C 3.51Å; P80-T164 WeakPolarHBondContact O-CA 3.32Å; P80-L165 PolarHBondContact O-N 3.46Å | ||
| 81 | A | 86.8 | Confident | 89.4 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C75 C79 L162 Q163 | C75-A81 PolarHBondContact SG-O 3.31Å; C79-A81 PolarHBondContact O-N 3.43Å; A81-L162 HydrophobicContact CB-CB 4.36Å; A81-L162 HydrophobicContact CB-CD1 4.27Å; A81-L162 HydrophobicContact CB-CD2 4.5Å; A81-Q163 WeakPolarHBondContact CA-O 3.47Å |
| 82 | L | 91.2 | Very high | 89.3 | Confident | 41 Ų | 41 | 27.1 Ų | 27.1 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.3 | 169.3 | -59.2 | 180 | 0 | 0 | 0 | 109.6 | T84 P136 A138 L162 Q163 L165 | L82-T84 PolarHBondContact O-N 3.27Å; L82-P136 HydrophobicContact CB-CB 3.75Å; L82-P136 HydrophobicContact CD1-CB 3.97Å; L82-A138 HydrophobicContact CD2-CB 3.99Å; L82-L162 WeakPolarHBondContact O-CA 3.27Å; L82-Q163 PolarHBondContact N-O 2.95Å; L82-Q163 PolarHBondContact O-N 3.34Å; L82-L165 HydrophobicContact CD1-CD1 4.08Å; L82-L165 HydrophobicContact CD1-CD2 4.09Å; L82-L165 HydrophobicContact CD1-CG 4.27Å; L82-L165 HydrophobicContact CG-CD1 4.16Å; L82-L165 HydrophobicContact CG-CG 4.31Å |
| 83 | I | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 117.7 | 169.8 | -54.7 | 172.4 | 0 | 0 | 0 | 107.3 | L73 L86 L133 P136 A137 G161 L162 | L73-I83 HydrophobicContact CB-CD1 4.11Å; I83-L86 HydrophobicContact CG2-CD2 3.8Å; I83-L86 HydrophobicContact CG2-CG 4.21Å; I83-L133 HydrophobicContact CB-CD1 4.44Å; I83-L133 HydrophobicContact CG2-CD1 3.97Å; I83-P136 CarbonylContact O-C 3.53Å; I83-P136 VanDerWaalsContact O-CA 3.24Å; I83-P136 WeakPolarHBondContact O-CA 3.48Å; I83-A137 WeakPolarHBondContact CB-O 3.37Å; I83-A137 PolarHBondContact N-O 2.89Å; I83-A137 PolarHBondContact O-N 3.22Å; I83-G161 CarbonylContact C-O 3.53Å; I83-G161 WeakPolarHBondContact CA-O 3.29Å; I83-L162 HydrophobicContact CB-CD2 4.49Å; I83-L162 HydrophobicContact CG1-CD2 3.88Å |
| 84 | T | 92 | Very high | 89.3 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 10% | 0.104 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -22.5 | 175.8 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | L82 L133 P136 G161 Q163 | L82-T84 PolarHBondContact O-N 3.27Å; T84-L133 PolarHBondContact O-N 3.38Å; T84-P136 HydrophobicContact CG2-CB 4.06Å; T84-P136 HydrophobicContact CG2-CG 4.11Å; T84-G161 PolarHBondContact N-O 3.08Å; T84-G161 PolarHBondContact OG1-O 3.23Å; T84-Q163 HydrophobicContact CG2-CB 3.5Å |
| 85 | S | 92.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 156.5 | -168.7 | 45.1 | 0 | 0 | 0 | 0 | 111.7 | I44 L131 G161 | I44-S85 WeakPolarHBondContact CD1-OG 3.32Å; S85-L131 CarbonylContact C-O 3.59Å; S85-L131 VanDerWaalsContact CA-O 3.29Å; S85-L131 WeakPolarHBondContact CA-O 3.34Å; S85-G161 PolarHBondContact O-N 3.05Å |
| 86 | L | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 130.6 | -172.6 | -66 | 172.5 | 0 | 0 | 0 | 110.4 | L73 I83 V97 H130 L131 L133 V142 M160 | L73-L86 HydrophobicContact CD1-CD2 3.78Å; I83-L86 HydrophobicContact CG2-CD2 3.8Å; I83-L86 HydrophobicContact CG2-CG 4.21Å; L86-V97 HydrophobicContact CD1-CG1 3.79Å; L86-V97 HydrophobicContact CD1-CG2 3.91Å; L86-H130 CarbonylContact O-C 3.56Å; L86-H130 WeakPolarHBondContact O-CA 3.44Å; L86-H130 PolarHBondContact O-CD2 2.9Å; L86-L131 PolarHBondContact N-O 3.27Å; L86-L131 PolarHBondContact O-N 3.17Å; L86-L133 HydrophobicContact CD1-CD2 4.41Å; L86-V142 HydrophobicContact CD1-CG2 3.71Å; L86-M160 HydrophobicContact CD2-CB 4.36Å; L86-M160 HydrophobicContact CD2-CG 3.78Å |
| 87 | L | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.2 | 167.2 | -180 | 153.3 | 0 | 0 | 0 | 109.3 | I44 D48 R128 K129 V158 V159 | I44-L87 HydrophobicContact CG2-CB 3.89Å; I44-L87 HydrophobicContact CG2-CD1 4.3Å; D48-L87 HydrophobicContact CB-CD1 3.97Å; D48-L87 HydrophobicContact CB-CD2 3.87Å; L87-R128 HydrophobicContact CD1-CG 4.3Å; L87-R128 HydrophobicContact CD2-CG 4.09Å; L87-R128 HydrophobicContact CG-CG 4.09Å; L87-K129 CarbonylContact C-O 3.53Å; L87-K129 VanDerWaalsContact CA-O 3.25Å; L87-K129 WeakPolarHBondContact CA-O 3.42Å; L87-V158 CarbonylContact O-C 3.54Å; L87-V158 WeakPolarHBondContact O-CA 3.37Å; L87-V159 HydrophobicContact CB-CB 4.21Å; L87-V159 HydrophobicContact CD2-CB 4.42Å; L87-V159 HydrophobicContact CD2-CG2 3.94Å; L87-V159 PolarHBondContact N-O 3.49Å; L87-V159 PolarHBondContact O-N 3.48Å |
| 88 | V | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 116.1 | -170.6 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | I95 K129 V142 L144 V158 | V88-I95 HydrophobicContact CB-CD1 4.34Å; V88-I95 HydrophobicContact CG2-CD1 4.02Å; V88-K129 HydrophobicContact CB-CB 4.41Å; V88-K129 PolarHBondContact N-O 2.87Å; V88-K129 WeakPolarHBondContact O-CE 3.47Å; V88-K129 PolarHBondContact O-N 3.25Å; V88-K129 PolarHBondContact O-NZ 3.35Å; V88-V142 HydrophobicContact CG2-CG1 4.35Å; V88-L144 HydrophobicContact CG1-CD2 4.37Å; V88-V158 HydrophobicContact CG1-CG2 4.46Å; V88-V158 HydrophobicContact CG2-CG1 4.42Å |
| 89 | T | 93 | Very high | 92.1 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.1 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | T116 F126 Y127 A156 R157 | T89-T116 HydrophobicContact CG2-CG2 4.42Å; T89-F126 HydrophobicContact CG2-CB 4.09Å; T89-F126 HydrophobicContact CG2-CD1 4.34Å; T89-Y127 WeakPolarHBondContact CA-O 3.44Å; T89-A156 HydrophobicContact CG2-CB 4.22Å; T89-A156 PolarHBondContact O-N 3.07Å; T89-R157 PolarHBondContact N-O 3.29Å; T89-R157 PolarHBondContact O-N 3.38Å |
| 90 | S | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 160.7 | -172.6 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | A92 Y127 K129 A154 | S90-A92 PolarHBondContact O-N 2.82Å; S90-Y127 PolarHBondContact N-O 2.94Å; S90-Y127 PolarHBondContact O-N 2.94Å; S90-Y127 VanDerWaalsContact O-O 3.12Å; S90-K129 PolarHBondContact O-NZ 3.08Å; S90-K129 PolarHBondContact OG-NZ 3.32Å; S90-A154 VanDerWaalsContact CA-O 3.32Å; S90-A154 WeakPolarHBondContact CA-O 3.27Å; S90-A154 VanDerWaalsContact CB-O 3.31Å; S90-A154 WeakPolarHBondContact CB-O 3.33Å |
| 91 | E | 92.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -65.8 | -18.5 | 176.2 | -63.4 | 178 | 97.6 | 0 | 0 | 113.9 | R93 R123 G124 Y127 R150 V153 A154 | E91-R93 PolarHBondContact O-N 3.46Å; E91-R123 IonicContact OE1-NH1 3.81Å; E91-R123 IonicContact OE2-CZ 3.2Å; E91-R123 IonicContact OE2-NH1 3.56Å; E91-R123 PolarHBondContact OE2-NH1 3.45Å; E91-R123 IonicContact OE2-NH2 3.85Å; E91-G124 PolarHBondContact OE1-N 2.99Å; E91-Y127 WeakPolarHBondContact O-CD2 3.49Å; E91-R150 IonicContact OE1-CZ 3.53Å; E91-R150 IonicContact OE1-NH1 3.72Å; E91-R150 PolarHBondContact OE1-NH1 3.33Å; E91-R150 IonicContact OE1-NH2 2.66Å; E91-R150 IonicContact OE2-NH1 3.93Å; E91-V153 HydrophobicContact CB-CG2 4.25Å; E91-A154 HydrophobicContact CG-CB 4.21Å; E91-A154 PolarHBondContact N-O 3Å; E91-A154 VanDerWaalsContact N-O 3.14Å; E91-A154 PolarHBondContact OE2-N 3.04Å |
| 92 | A | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -65.2 | 121.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S90 T94 K129 L144 L145 L147 V153 | S90-A92 PolarHBondContact O-N 2.82Å; A92-T94 VanDerWaalsContact C-N 3.29Å; A92-T94 PolarHBondContact O-N 3.35Å; A92-K129 WeakPolarHBondContact O-CE 3.45Å; A92-K129 PolarHBondContact O-NZ 2.86Å; A92-L144 HydrophobicContact CB-CB 3.77Å; A92-L144 HydrophobicContact CB-CD1 4.41Å; A92-L144 HydrophobicContact CB-CD2 4.32Å; A92-L144 HydrophobicContact CB-CG 4.39Å; A92-L145 WeakPolarHBondContact CA-O 3.31Å; A92-L145 WeakPolarHBondContact CB-O 3.43Å; A92-L147 HydrophobicContact CB-CD2 3.75Å; A92-V153 HydrophobicContact CB-CG2 4.44Å | ||
| 93 | R | 93.8 | Very high | 93.2 | Very high | 121 Ų | 121 | 32.4 Ų | 32.4 | 46% | 0.457 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -72.3 | -20.6 | -176 | -69.9 | 177.6 | 172.9 | 169.6 | 0.3 | 114.3 | E91 G110 Y127 L145 | E91-R93 PolarHBondContact O-N 3.46Å; R93-G110 PolarHBondContact O-N 3.18Å; R93-Y127 HydrophobicContact CG-CD1 4.27Å; R93-Y127 HydrophobicContact CG-CD2 3.7Å; R93-Y127 HydrophobicContact CG-CE1 4.05Å; R93-Y127 HydrophobicContact CG-CE2 3.44Å; R93-Y127 VanDerWaalsContact CG-CE2 3.44Å; R93-Y127 HydrophobicContact CG-CG 4.13Å; R93-Y127 PolarHBondContact NE-OH 3.25Å; R93-Y127 PolarHBondContact NH2-OH 2.79Å; R93-L145 PolarHBondContact N-O 3.08Å |
| 94 | T | 95.9 | Very high | 93.3 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 148.8 | -178.2 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | A92 T107 S108 L145 | A92-T94 VanDerWaalsContact C-N 3.29Å; A92-T94 PolarHBondContact O-N 3.35Å; T94-T107 WeakPolarHBondContact CG2-OG1 3.41Å; T94-S108 CarbonylContact C-O 3.57Å; T94-S108 VanDerWaalsContact CA-O 3.31Å; T94-S108 WeakPolarHBondContact CA-O 3.48Å; T94-L145 HydrophobicContact CG2-CD1 4.18Å; T94-L145 WeakPolarHBondContact O-CB 3.25Å; T94-L145 PolarHBondContact O-N 3.17Å |
| 95 | I | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.1 | 164.9 | 61.9 | -179.1 | 0 | 0 | 0 | 110.4 | V88 V97 T107 S108 K129 V142 K143 L144 | V88-I95 HydrophobicContact CB-CD1 4.34Å; V88-I95 HydrophobicContact CG2-CD1 4.02Å; I95-V97 HydrophobicContact CD1-CG2 4.19Å; I95-V97 HydrophobicContact CG1-CG2 4.45Å; I95-T107 VanDerWaalsContact O-CA 3.23Å; I95-T107 WeakPolarHBondContact O-CA 3.44Å; I95-T107 WeakPolarHBondContact O-CB 3.49Å; I95-T107 PolarHBondContact O-OG1 3.01Å; I95-S108 PolarHBondContact N-O 2.93Å; I95-S108 PolarHBondContact O-N 3.35Å; I95-K129 HydrophobicContact CD1-CB 3.83Å; I95-K129 HydrophobicContact CD1-CG 4.25Å; I95-K129 HydrophobicContact CG1-CB 4.17Å; I95-K129 HydrophobicContact CG1-CD 4.5Å; I95-K129 HydrophobicContact CG1-CG 4.07Å; I95-K129 HydrophobicContact CG2-CD 3.74Å; I95-K129 HydrophobicContact CG2-CG 4.26Å; I95-V142 HydrophobicContact CB-CG1 4.16Å; I95-V142 HydrophobicContact CD1-CG1 4.19Å; I95-V142 HydrophobicContact CG2-CG1 4.13Å; I95-K143 VanDerWaalsContact CA-O 3.31Å; I95-K143 WeakPolarHBondContact CA-O 3.38Å; I95-L144 HydrophobicContact CG2-CD2 3.56Å |
| 96 | E | 97.8 | Very high | 93.4 | Very high | 42 Ų | 42 | 39.3 Ų | 39.3 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.3 | 158.1 | -68.8 | 165.1 | 153.1 | 0 | 0 | 107.5 | Y98 Y104 G106 K143 L145 | E96-Y98 HydrophobicContact CB-CE2 3.65Å; E96-Y98 PolarHBondContact OE2-OH 3.22Å; E96-Y104 HydrophobicContact CG-CE2 4.39Å; E96-G106 WeakPolarHBondContact CA-O 3.46Å; E96-K143 HydrophobicContact CB-CB 4.34Å; E96-K143 PolarHBondContact N-O 2.95Å; E96-K143 PolarHBondContact O-N 3.27Å; E96-K143 VanDerWaalsContact OE2-CD 3.31Å; E96-K143 WeakPolarHBondContact OE2-CD 3.31Å; E96-K143 VanDerWaalsContact OE2-CE 3.25Å; E96-K143 WeakPolarHBondContact OE2-CE 3.47Å; E96-K143 IonicContact OE2-NZ 2.67Å; E96-K143 PolarHBondContact OE2-NZ 3.02Å; E96-L145 VanDerWaalsContact CD-CD1 3.49Å; E96-L145 HydrophobicContact CG-CD1 3.71Å |
| 97 | V | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.7 | 177.3 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | L86 I95 C105 G106 L131 L133 C140 E141 V142 | L86-V97 HydrophobicContact CD1-CG1 3.79Å; L86-V97 HydrophobicContact CD1-CG2 3.91Å; I95-V97 HydrophobicContact CD1-CG2 4.19Å; I95-V97 HydrophobicContact CG1-CG2 4.45Å; V97-C105 HydrophobicContact CB-CB 4.46Å; V97-C105 HydrophobicContact CG1-CB 4.31Å; V97-C105 WeakPolarHBondContact O-CA 3.27Å; V97-C105 WeakPolarHBondContact O-CB 3.12Å; V97-C105 PolarHBondContact O-N 2.9Å; V97-G106 PolarHBondContact N-O 2.94Å; V97-G106 PolarHBondContact O-N 3.28Å; V97-L131 HydrophobicContact CB-CD2 3.79Å; V97-L131 HydrophobicContact CG2-CD2 3.55Å; V97-L133 HydrophobicContact CG1-CD2 3.99Å; V97-C140 HydrophobicContact CG1-CB 4.08Å; V97-E141 CarbonylContact C-O 3.42Å; V97-E141 VanDerWaalsContact CA-O 3.26Å; V97-E141 WeakPolarHBondContact CA-O 3.46Å; V97-V142 HydrophobicContact CG1-CG2 4.46Å; V97-V142 HydrophobicContact CG2-CG1 4.36Å; V97-V142 HydrophobicContact CG2-CG2 4.24Å |
| 98 | Y | 96.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 43.1 Ų | 43.1 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 155.2 | -178.6 | -59.4 | -94.7 | 0 | 0 | 0 | 112.1 | E96 D103 Y104 C140 E141 K143 | E96-Y98 HydrophobicContact CB-CE2 3.65Å; E96-Y98 PolarHBondContact OE2-OH 3.22Å; Y98-D103 CarbonylContact C-O 3.58Å; Y98-D103 WeakPolarHBondContact CA-O 3.42Å; Y98-D103 WeakPolarHBondContact CB-O 3.38Å; Y98-Y104 AromaticContact CE1-CD2 3.97Å; Y98-Y104 HydrophobicContact CE1-CD2 3.97Å; Y98-C140 CarbonylContact O-C 3.59Å; Y98-C140 WeakPolarHBondContact O-CA 3.27Å; Y98-C140 VanDerWaalsContact O-CB 3.24Å; Y98-C140 WeakPolarHBondContact O-CB 3.4Å; Y98-E141 PolarHBondContact N-O 3.11Å; Y98-E141 PolarHBondContact O-N 3.29Å; Y98-K143 HydrophobicContact CE2-CB 4.36Å; Y98-K143 HydrophobicContact CE2-CD 3.93Å |
| 99 | S | 91.6 | Very high | 93.7 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 165.1 | 172.9 | 86.3 | 0 | 0 | 0 | 0 | 110.9 | A101 G102 D103 C105 | S99-A101 PolarHBondContact O-N 3.25Å; S99-A101 PolarHBondContact OG-N 3.27Å; S99-G102 PolarHBondContact O-N 2.67Å; S99-G102 PolarHBondContact OG-N 3.36Å; S99-D103 PolarHBondContact N-O 2.96Å; S99-D103 WeakPolarHBondContact OG-CB 3.17Å; S99-D103 PolarHBondContact OG-N 3.04Å; S99-D103 VanDerWaalsContact OG-N 3.08Å; S99-D103 PolarHBondContact OG-OD2 3.14Å; S99-C105 PolarHBondContact N-SG 3.24Å |
| 100 | Q | 85.9 | Confident | 93.6 | Very high | 155 Ų | 155 | 52.1 Ų | 52.1 | 72% | 0.724 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.8 | 169.9 | -166.9 | -180 | 5.4 | 0 | 0 | 113.5 | ||
| 101 | A | 86.9 | Confident | 93.5 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 73% | 0.727 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -2.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S99 | S99-A101 PolarHBondContact O-N 3.25Å; S99-A101 PolarHBondContact OG-N 3.27Å |
| 102 | G | 88.5 | Confident | 93.3 | Very high | 51 Ų | 51 | 68 Ų | 68 | 53% | 0.526 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 90.7 | 3.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S99 | S99-G102 PolarHBondContact O-N 2.67Å; S99-G102 PolarHBondContact OG-N 3.36Å |
| 103 | D | 92.4 | Very high | 92.6 | Very high | 100 Ų | 100 | 68.9 Ų | 68.9 | 54% | 0.535 | 35% | 0.346 | S | S | . | . | trans | -66.1 | 143.6 | 176.2 | -45 | -72.5 | 0 | 0 | 0 | 110.5 | Y98 S99 C105 | Y98-D103 CarbonylContact C-O 3.58Å; Y98-D103 WeakPolarHBondContact CA-O 3.42Å; Y98-D103 WeakPolarHBondContact CB-O 3.38Å; S99-D103 PolarHBondContact N-O 2.96Å; S99-D103 WeakPolarHBondContact OG-CB 3.17Å; S99-D103 PolarHBondContact OG-N 3.04Å; S99-D103 VanDerWaalsContact OG-N 3.08Å; S99-D103 PolarHBondContact OG-OD2 3.14Å; D103-C105 PolarHBondContact O-N 2.96Å | ||
| 104 | Y | 95 | Very high | 91.4 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 49% | 0.49 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 116.4 | 175.9 | 171.4 | -99.3 | 0 | 0 | 0 | 111 | E96 Y98 G106 T107 | E96-Y104 HydrophobicContact CG-CE2 4.39Å; Y98-Y104 AromaticContact CE1-CD2 3.97Å; Y98-Y104 HydrophobicContact CE1-CD2 3.97Å; Y104-G106 WeakPolarHBondContact CE2-O 3.15Å; Y104-T107 VanDerWaalsContact OH-CB 3.27Å; Y104-T107 WeakPolarHBondContact OH-CB 3.4Å; Y104-T107 VanDerWaalsContact OH-CG2 3.23Å; Y104-T107 WeakPolarHBondContact OH-CG2 3.37Å; Y104-T107 PolarHBondContact OH-N 3.05Å; Y104-T107 VanDerWaalsContact OH-N 3.15Å |
| 105 | C | 93.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 22% | 0.223 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -11.2 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 113.8 | V97 S99 D103 L133 | V97-C105 HydrophobicContact CB-CB 4.46Å; V97-C105 HydrophobicContact CG1-CB 4.31Å; V97-C105 WeakPolarHBondContact O-CA 3.27Å; V97-C105 WeakPolarHBondContact O-CB 3.12Å; V97-C105 PolarHBondContact O-N 2.9Å; S99-C105 PolarHBondContact N-SG 3.24Å; D103-C105 PolarHBondContact O-N 2.96Å; C105-L133 HydrophobicContact CB-CD2 4.11Å |
| 106 | G | 94.1 | Very high | 88.3 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.8 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | E96 V97 Y104 | E96-G106 WeakPolarHBondContact CA-O 3.46Å; V97-G106 PolarHBondContact N-O 2.94Å; V97-G106 PolarHBondContact O-N 3.28Å; Y104-G106 WeakPolarHBondContact CE2-O 3.15Å |
| 107 | T | 96.2 | Very high | 86.4 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 145.8 | 172.2 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | T94 I95 Y104 | T94-T107 WeakPolarHBondContact CG2-OG1 3.41Å; I95-T107 VanDerWaalsContact O-CA 3.23Å; I95-T107 WeakPolarHBondContact O-CA 3.44Å; I95-T107 WeakPolarHBondContact O-CB 3.49Å; I95-T107 PolarHBondContact O-OG1 3.01Å; Y104-T107 VanDerWaalsContact OH-CB 3.27Å; Y104-T107 WeakPolarHBondContact OH-CB 3.4Å; Y104-T107 VanDerWaalsContact OH-CG2 3.23Å; Y104-T107 WeakPolarHBondContact OH-CG2 3.37Å; Y104-T107 PolarHBondContact OH-N 3.05Å; Y104-T107 VanDerWaalsContact OH-N 3.15Å |
| 108 | S | 95.5 | Very high | 84.6 | Confident | 14 Ų | 14 | 81 Ų | 81 | 10% | 0.098 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.8 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | T94 I95 H130 | T94-S108 CarbonylContact C-O 3.57Å; T94-S108 VanDerWaalsContact CA-O 3.31Å; T94-S108 WeakPolarHBondContact CA-O 3.48Å; I95-S108 PolarHBondContact N-O 2.93Å; I95-S108 PolarHBondContact O-N 3.35Å; S108-H130 WeakPolarHBondContact CB-O 3.35Å; S108-H130 PolarHBondContact OG-N 3.29Å; S108-H130 PolarHBondContact OG-O 3.02Å |
| 109 | R | 95.9 | Very high | 82.7 | Confident | 181 Ų | 181 | 84.8 Ų | 84.8 | 68% | 0.683 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.5 | 173.6 | -176.3 | 179.3 | -175 | 83.7 | -10 | 108.5 | ||
| 110 | G | 92.1 | Very high | 81.1 | Confident | 11 Ų | 11 | 86.1 Ų | 86.1 | 11% | 0.113 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 140.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R93 Y127 R128 | R93-G110 PolarHBondContact O-N 3.18Å; G110-Y127 WeakPolarHBondContact O-CD1 3.49Å; G110-R128 CarbonylContact C-O 3.56Å; G110-R128 WeakPolarHBondContact CA-O 3.49Å |
| 111 | E | 91.4 | Very high | 79.8 | Confident | 161 Ų | 161 | 84 Ų | 84 | 75% | 0.752 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 155.6 | 165.5 | -59.5 | -171.4 | 149.3 | 0 | 0 | 109.7 | D113 Y127 R128 | E111-D113 PolarHBondContact O-N 3.04Å; E111-Y127 CarbonylContact O-C 3.41Å; E111-Y127 WeakPolarHBondContact O-CA 3.32Å; E111-Y127 WeakPolarHBondContact O-CB 3.36Å; E111-R128 PolarHBondContact N-O 3.49Å; E111-R128 VanDerWaalsContact N-O 3.11Å; E111-R128 PolarHBondContact O-N 3.01Å |
| 112 | R | 88.1 | Confident | 78.7 | Confident | 177 Ų | 177 | 88.8 Ų | 88.8 | 67% | 0.668 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 127.6 | 177.8 | -179.8 | -176.4 | 175.1 | -167 | 0.4 | 109.4 | P114 P125 Y127 | R112-P114 WeakPolarHBondContact O-CD 3.38Å; R112-P125 HydrophobicContact CG-CB 4.12Å; R112-Y127 HydrophobicContact CB-CD1 4.29Å; R112-Y127 HydrophobicContact CB-CE1 4.14Å |
| 113 | D | 79.8 | Confident | 77.9 | Confident | 19 Ų | 19 | 89.7 Ų | 89.7 | 10% | 0.102 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -75 | 123.1 | 171.1 | -171.4 | -11.5 | 0 | 0 | 0 | 110 | E111 N115 T116 F126 | E111-D113 PolarHBondContact O-N 3.04Å; D113-N115 WeakPolarHBondContact OD1-CB 3.41Å; D113-N115 PolarHBondContact OD1-N 3.46Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.37Å; D113-F126 HydrophobicContact CB-CB 4.42Å; D113-F126 PolarHBondContact N-O 3.01Å |
| 114 | P | 67 | Low | 77.1 | Confident | 107 Ų | 107 | 85.8 Ų | 85.8 | 70% | 0.695 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -82.8 | -17.1 | 174.2 | 34.5 | -36.1 | 0 | 0 | 0 | 113.7 | R112 | R112-P114 WeakPolarHBondContact O-CD 3.38Š|
| 115 | N | 64.8 | Low | 76.8 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 34% | 0.337 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -85.5 | -31.5 | -171.4 | -75.6 | 2.9 | 0 | 0 | 0 | 113 | D113 Q117 | D113-N115 WeakPolarHBondContact OD1-CB 3.41Å; D113-N115 PolarHBondContact OD1-N 3.46Å; N115-Q117 PolarHBondContact O-N 2.85Å |
| 116 | T | 63.6 | Low | 76.7 | Confident | 36 Ų | 36 | 80.6 Ų | 80.6 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | trans | -82 | 111.7 | 176.4 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | T89 D113 F126 | T89-T116 HydrophobicContact CG2-CG2 4.42Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.37Å; T116-F126 HydrophobicContact CG2-CB 4.43Å; T116-F126 HydrophobicContact CG2-CD2 4.39Å; T116-F126 HydrophobicContact CG2-CG 4.39Å; T116-F126 WeakPolarHBondContact OG1-CB 3.47Å | ||
| 117 | Q | 58.6 | Low | 76.6 | Confident | 173 Ų | 173 | 81.5 Ų | 81.5 | 81% | 0.808 | 43% | 0.426 | S | S | * | . | trans | -73.5 | 144.8 | 160.9 | -68.7 | -165.3 | 1.9 | 0 | 0 | 110 | N115 | N115-Q117 PolarHBondContact O-N 2.85Š| ||
| 118 | P | 59 | Low | 76.4 | Confident | 57 Ų | 57 | 81.2 Ų | 81.2 | 37% | 0.37 | 42% | 0.418 | S | S | . | . | trans | -76.7 | 128.3 | 170.6 | 31.6 | -32.2 | 0 | 0 | 0 | 110.1 | S120 | P118-S120 PolarHBondContact O-N 2.87Š| ||
| 119 | D | 56.8 | Low | 76.4 | Confident | 133 Ų | 133 | 80.6 Ų | 80.6 | 71% | 0.711 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -60.8 | -16 | 178.6 | -66.2 | -54 | 0 | 0 | 0 | 114 | ||
| 120 | S | 59.3 | Low | 76.3 | Confident | 47 Ų | 47 | 75 Ų | 75 | 33% | 0.329 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -141 | 146.2 | 172.9 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | P118 E122 R123 | P118-S120 PolarHBondContact O-N 2.87Å; S120-E122 PolarHBondContact O-N 3.39Å; S120-E122 VanDerWaalsContact O-N 3.1Å; S120-R123 PolarHBondContact O-N 3.48Å; S120-R123 VanDerWaalsContact O-N 3.14Å |
| 121 | A | 58 | Low | 76.4 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 91% | 0.909 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 122 | E | 62.5 | Low | 76.5 | Confident | 188 Ų | 188 | 73.6 Ų | 73.6 | 88% | 0.879 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -15.6 | 177.6 | -59.3 | -173 | 158.2 | 0 | 0 | 113.3 | S120 | S120-E122 PolarHBondContact O-N 3.39Å; S120-E122 VanDerWaalsContact O-N 3.1Å |
| 123 | R | 73 | Confident | 76.6 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -93.1 | 153.3 | -175.2 | -85.6 | 175.9 | 152.3 | -82.2 | -21 | 112.9 | L59 E91 S120 S152 | L59-R123 VanDerWaalsContact CD1-NH2 3.3Å; E91-R123 IonicContact OE1-NH1 3.81Å; E91-R123 IonicContact OE2-CZ 3.2Å; E91-R123 IonicContact OE2-NH1 3.56Å; E91-R123 PolarHBondContact OE2-NH1 3.45Å; E91-R123 IonicContact OE2-NH2 3.85Å; S120-R123 PolarHBondContact O-N 3.48Å; S120-R123 VanDerWaalsContact O-N 3.14Å; R123-S152 PolarHBondContact NH2-OG 3.38Å; R123-S152 VanDerWaalsContact NH2-OG 3.09Å |
| 124 | G | 76 | Confident | 76.8 | Confident | 18 Ų | 18 | 74 Ų | 74 | 19% | 0.186 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 160.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E91 | E91-G124 PolarHBondContact OE1-N 2.99Š|
| 125 | P | 87.8 | Confident | 77.7 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 25% | 0.253 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 147.8 | 166.1 | 30.6 | -35.1 | 0 | 0 | 0 | 109.5 | R112 Y127 | R112-P125 HydrophobicContact CG-CB 4.12Å; P125-Y127 HydrophobicContact CG-CE2 4.01Å; P125-Y127 WeakPolarHBondContact O-CD2 3.37Å; P125-Y127 VanDerWaalsContact O-CE2 3.24Å; P125-Y127 WeakPolarHBondContact O-CE2 3.36Å |
| 126 | F | 91 | Very high | 78.8 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 4% | 0.044 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 151.6 | 166.7 | -67.6 | -102.4 | 0 | 0 | 0 | 110 | P57 T89 D113 T116 A154 A156 | P57-F126 HydrophobicContact CB-CE1 4.14Å; P57-F126 HydrophobicContact CB-CZ 3.82Å; P57-F126 HydrophobicContact CG-CZ 3.97Å; T89-F126 HydrophobicContact CG2-CB 4.09Å; T89-F126 HydrophobicContact CG2-CD1 4.34Å; D113-F126 HydrophobicContact CB-CB 4.42Å; D113-F126 PolarHBondContact N-O 3.01Å; T116-F126 HydrophobicContact CG2-CB 4.43Å; T116-F126 HydrophobicContact CG2-CD2 4.39Å; T116-F126 HydrophobicContact CG2-CG 4.39Å; T116-F126 WeakPolarHBondContact OG1-CB 3.47Å; F126-A154 HydrophobicContact CE1-CB 3.8Å; F126-A154 HydrophobicContact CZ-CB 3.65Å; F126-A156 HydrophobicContact CD1-CB 3.92Å; F126-A156 HydrophobicContact CE1-CB 3.72Å; F126-A156 HydrophobicContact CZ-CB 4.39Å |
| 127 | Y | 92.4 | Very high | 80.1 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 11% | 0.114 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.2 | 170.3 | -61.8 | -91.1 | 0 | 0 | 0 | 108.2 | T89 S90 E91 R93 G110 E111 R112 P125 K129 | T89-Y127 WeakPolarHBondContact CA-O 3.44Å; S90-Y127 PolarHBondContact N-O 2.94Å; S90-Y127 PolarHBondContact O-N 2.94Å; S90-Y127 VanDerWaalsContact O-O 3.12Å; E91-Y127 WeakPolarHBondContact O-CD2 3.49Å; R93-Y127 HydrophobicContact CG-CD1 4.27Å; R93-Y127 HydrophobicContact CG-CD2 3.7Å; R93-Y127 HydrophobicContact CG-CE1 4.05Å; R93-Y127 HydrophobicContact CG-CE2 3.44Å; R93-Y127 VanDerWaalsContact CG-CE2 3.44Å; R93-Y127 HydrophobicContact CG-CG 4.13Å; R93-Y127 PolarHBondContact NE-OH 3.25Å; R93-Y127 PolarHBondContact NH2-OH 2.79Å; G110-Y127 WeakPolarHBondContact O-CD1 3.49Å; E111-Y127 CarbonylContact O-C 3.41Å; E111-Y127 WeakPolarHBondContact O-CA 3.32Å; E111-Y127 WeakPolarHBondContact O-CB 3.36Å; R112-Y127 HydrophobicContact CB-CD1 4.29Å; R112-Y127 HydrophobicContact CB-CE1 4.14Å; P125-Y127 HydrophobicContact CG-CE2 4.01Å; P125-Y127 WeakPolarHBondContact O-CD2 3.37Å; P125-Y127 VanDerWaalsContact O-CE2 3.24Å; P125-Y127 WeakPolarHBondContact O-CE2 3.36Å; Y127-K129 VanDerWaalsContact C-CE 3.45Å; Y127-K129 WeakPolarHBondContact O-CE 3.43Å; Y127-K129 PolarHBondContact O-NZ 3.18Å |
| 128 | R | 92.5 | Very high | 81.7 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 23% | 0.234 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.7 | 172.4 | -169.7 | 171.7 | 86.8 | 149.9 | 9.4 | 109.4 | S45 D48 L87 G110 E111 | S45-R128 PolarHBondContact O-NH1 3.41Å; S45-R128 PolarHBondContact O-NH2 2.95Å; S45-R128 VanDerWaalsContact O-NH2 3.12Å; D48-R128 WeakPolarHBondContact OD2-CD 3.46Å; D48-R128 IonicContact OD2-CZ 3.64Å; D48-R128 IonicContact OD2-NE 3.75Å; D48-R128 IonicContact OD2-NH1 2.74Å; D48-R128 PolarHBondContact OD2-NH1 3.41Å; L87-R128 HydrophobicContact CD1-CG 4.3Å; L87-R128 HydrophobicContact CD2-CG 4.09Å; L87-R128 HydrophobicContact CG-CG 4.09Å; G110-R128 CarbonylContact C-O 3.56Å; G110-R128 WeakPolarHBondContact CA-O 3.49Å; E111-R128 PolarHBondContact N-O 3.49Å; E111-R128 VanDerWaalsContact N-O 3.11Å; E111-R128 PolarHBondContact O-N 3.01Å |
| 129 | K | 94.8 | Very high | 83.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 143.8 | 173.8 | -71.5 | 105.7 | -77.1 | -179.8 | 0 | 108.3 | L87 V88 S90 A92 I95 Y127 | L87-K129 CarbonylContact C-O 3.53Å; L87-K129 VanDerWaalsContact CA-O 3.25Å; L87-K129 WeakPolarHBondContact CA-O 3.42Å; V88-K129 HydrophobicContact CB-CB 4.41Å; V88-K129 PolarHBondContact N-O 2.87Å; V88-K129 WeakPolarHBondContact O-CE 3.47Å; V88-K129 PolarHBondContact O-N 3.25Å; V88-K129 PolarHBondContact O-NZ 3.35Å; S90-K129 PolarHBondContact O-NZ 3.08Å; S90-K129 PolarHBondContact OG-NZ 3.32Å; A92-K129 WeakPolarHBondContact O-CE 3.45Å; A92-K129 PolarHBondContact O-NZ 2.86Å; I95-K129 HydrophobicContact CD1-CB 3.83Å; I95-K129 HydrophobicContact CD1-CG 4.25Å; I95-K129 HydrophobicContact CG1-CB 4.17Å; I95-K129 HydrophobicContact CG1-CD 4.5Å; I95-K129 HydrophobicContact CG1-CG 4.07Å; I95-K129 HydrophobicContact CG2-CD 3.74Å; I95-K129 HydrophobicContact CG2-CG 4.26Å; Y127-K129 VanDerWaalsContact C-CE 3.45Å; Y127-K129 WeakPolarHBondContact O-CE 3.43Å; Y127-K129 PolarHBondContact O-NZ 3.18Å |
| 130 | H | 93.8 | Very high | 85.1 | Confident | 64 Ų | 64 | 56.6 Ų | 56.6 | 30% | 0.296 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.5 | 167.2 | -174.9 | -138.7 | 0 | 0 | 0 | 108.8 | L86 S108 | L86-H130 CarbonylContact O-C 3.56Å; L86-H130 WeakPolarHBondContact O-CA 3.44Å; L86-H130 PolarHBondContact O-CD2 2.9Å; S108-H130 WeakPolarHBondContact CB-O 3.35Å; S108-H130 PolarHBondContact OG-N 3.29Å; S108-H130 PolarHBondContact OG-O 3.02Å |
| 131 | L | 94.1 | Very high | 86.9 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 12% | 0.12 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 131.4 | 175.9 | -174.9 | 67.5 | 0 | 0 | 0 | 109 | S85 L86 V97 L133 | S85-L131 CarbonylContact C-O 3.59Å; S85-L131 VanDerWaalsContact CA-O 3.29Å; S85-L131 WeakPolarHBondContact CA-O 3.34Å; L86-L131 PolarHBondContact N-O 3.27Å; L86-L131 PolarHBondContact O-N 3.17Å; V97-L131 HydrophobicContact CB-CD2 3.79Å; V97-L131 HydrophobicContact CG2-CD2 3.55Å; L131-L133 HydrophobicContact CD2-CD2 3.94Å; L131-L133 HydrophobicContact CG-CD2 4.29Å |
| 132 | I | 93.1 | Very high | 88.8 | Confident | 119 Ų | 119 | 52.7 Ų | 52.7 | 61% | 0.61 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134.4 | 166.6 | -57.7 | 175 | 0 | 0 | 0 | 106.7 | ||
| 133 | L | 89.9 | Confident | 90.4 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.9 | 179.5 | -53.1 | -178.1 | 0 | 0 | 0 | 109 | I83 T84 L86 V97 C105 L131 S135 | I83-L133 HydrophobicContact CB-CD1 4.44Å; I83-L133 HydrophobicContact CG2-CD1 3.97Å; T84-L133 PolarHBondContact O-N 3.38Å; L86-L133 HydrophobicContact CD1-CD2 4.41Å; V97-L133 HydrophobicContact CG1-CD2 3.99Å; C105-L133 HydrophobicContact CB-CD2 4.11Å; L131-L133 HydrophobicContact CD2-CD2 3.94Å; L131-L133 HydrophobicContact CG-CD2 4.29Å; L133-S135 VanDerWaalsContact C-N 3.26Å; L133-S135 PolarHBondContact O-N 2.85Å |
| 134 | E | 85.1 | Confident | 91.5 | Very high | 196 Ų | 196 | 43.1 Ų | 43.1 | 92% | 0.916 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | -36.5 | 177 | -176.4 | 178.8 | 176.9 | 0 | 0 | 111.9 | ||
| 135 | S | 84.9 | Confident | 92.4 | Very high | 83 Ų | 83 | 44.5 Ų | 44.5 | 58% | 0.58 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.3 | 172.5 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | L133 A137 | L133-S135 VanDerWaalsContact C-N 3.26Å; L133-S135 PolarHBondContact O-N 2.85Å; S135-A137 PolarHBondContact O-N 3.38Å |
| 136 | P | 89.6 | Confident | 92.5 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 31% | 0.312 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 131.1 | 173.1 | -24.8 | 35.8 | 0 | 0 | 0 | 111.9 | L82 I83 T84 | L82-P136 HydrophobicContact CB-CB 3.75Å; L82-P136 HydrophobicContact CD1-CB 3.97Å; I83-P136 CarbonylContact O-C 3.53Å; I83-P136 VanDerWaalsContact O-CA 3.24Å; I83-P136 WeakPolarHBondContact O-CA 3.48Å; T84-P136 HydrophobicContact CG2-CB 4.06Å; T84-P136 HydrophobicContact CG2-CG 4.11Å |
| 137 | A | 90.5 | Very high | 92.4 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 13% | 0.132 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113 | I83 S135 S139 | I83-A137 WeakPolarHBondContact CB-O 3.37Å; I83-A137 PolarHBondContact N-O 2.89Å; I83-A137 PolarHBondContact O-N 3.22Å; S135-A137 PolarHBondContact O-N 3.38Å; A137-S139 WeakPolarHBondContact CB-O 3.48Å; A137-S139 PolarHBondContact O-N 3.32Å |
| 138 | A | 90.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -72.6 | -17.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | C75 L82 | C75-A138 WeakPolarHBondContact CB-O 3.4Å; C75-A138 PolarHBondContact N-O 3.38Å; L82-A138 HydrophobicContact CD2-CB 3.99Å |
| 139 | S | 93.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 146.3 | 173.4 | 177 | 0 | 0 | 0 | 0 | 110.6 | L73 C74 A137 | L73-S139 CarbonylContact O-C 3.51Å; L73-S139 WeakPolarHBondContact O-CA 3.44Å; L73-S139 VanDerWaalsContact O-CB 3.32Å; L73-S139 WeakPolarHBondContact O-CB 3.41Å; L73-S139 PolarHBondContact O-OG 3.27Å; C74-S139 PolarHBondContact SG-OG 3.32Å; A137-S139 WeakPolarHBondContact CB-O 3.48Å; A137-S139 PolarHBondContact O-N 3.32Å |
| 140 | C | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 157.6 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | L73 V97 Y98 | L73-C140 PolarHBondContact N-O 3.47Å; L73-C140 PolarHBondContact O-N 2.91Å; V97-C140 HydrophobicContact CG1-CB 4.08Å; Y98-C140 CarbonylContact O-C 3.59Å; Y98-C140 WeakPolarHBondContact O-CA 3.27Å; Y98-C140 VanDerWaalsContact O-CB 3.24Å; Y98-C140 WeakPolarHBondContact O-CB 3.4Å |
| 141 | E | 96.8 | Very high | 90.9 | Very high | 73 Ų | 73 | 52.1 Ų | 52.1 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.2 | 176.9 | -59.8 | -143 | 127.8 | 0 | 0 | 111.1 | V70 T72 V97 Y98 | V70-E141 HydrophobicContact CG1-CB 3.84Å; V70-E141 HydrophobicContact CG1-CG 4.41Å; T72-E141 HydrophobicContact CG2-CG 4.18Å; T72-E141 PolarHBondContact OG1-OE1 3.06Å; V97-E141 CarbonylContact C-O 3.42Å; V97-E141 VanDerWaalsContact CA-O 3.26Å; V97-E141 WeakPolarHBondContact CA-O 3.46Å; Y98-E141 PolarHBondContact N-O 3.11Å; Y98-E141 PolarHBondContact O-N 3.29Å |
| 142 | V | 97.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 107.3 | -179.3 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | I71 L73 L86 V88 I95 V97 L144 | I71-V142 HydrophobicContact CB-CB 4.46Å; I71-V142 PolarHBondContact N-O 3.14Å; I71-V142 PolarHBondContact O-N 2.62Å; L73-V142 HydrophobicContact CD1-CG2 3.79Å; L86-V142 HydrophobicContact CD1-CG2 3.71Å; V88-V142 HydrophobicContact CG2-CG1 4.35Å; I95-V142 HydrophobicContact CB-CG1 4.16Å; I95-V142 HydrophobicContact CD1-CG1 4.19Å; I95-V142 HydrophobicContact CG2-CG1 4.13Å; V97-V142 HydrophobicContact CG1-CG2 4.46Å; V97-V142 HydrophobicContact CG2-CG1 4.36Å; V97-V142 HydrophobicContact CG2-CG2 4.24Å; V142-L144 HydrophobicContact CG1-CD2 4.34Å |
| 143 | K | 97.1 | Very high | 90.7 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 115.8 | -176.4 | -179.2 | 179.3 | 168 | -151 | 0 | 110.4 | P68 V70 I95 E96 Y98 L145 | P68-K143 HydrophobicContact CB-CG 4.48Å; V70-K143 HydrophobicContact CG2-CB 4.22Å; V70-K143 HydrophobicContact CG2-CG 4.18Å; I95-K143 VanDerWaalsContact CA-O 3.31Å; I95-K143 WeakPolarHBondContact CA-O 3.38Å; E96-K143 HydrophobicContact CB-CB 4.34Å; E96-K143 PolarHBondContact N-O 2.95Å; E96-K143 PolarHBondContact O-N 3.27Å; E96-K143 VanDerWaalsContact OE2-CD 3.31Å; E96-K143 WeakPolarHBondContact OE2-CD 3.31Å; E96-K143 VanDerWaalsContact OE2-CE 3.25Å; E96-K143 WeakPolarHBondContact OE2-CE 3.47Å; E96-K143 IonicContact OE2-NZ 2.67Å; E96-K143 PolarHBondContact OE2-NZ 3.02Å; Y98-K143 HydrophobicContact CE2-CB 4.36Å; Y98-K143 HydrophobicContact CE2-CD 3.93Å; K143-L145 HydrophobicContact CD-CD2 4.47Å; K143-L145 HydrophobicContact CG-CD2 4.12Å |
| 144 | L | 96.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.5 | -178.5 | -58.5 | -167.7 | 0 | 0 | 0 | 111.3 | C69 I71 V88 A92 I95 V142 L147 V153 V155 | C69-L144 HydrophobicContact CB-CB 4.15Å; C69-L144 PolarHBondContact O-N 3.08Å; I71-L144 HydrophobicContact CD1-CD1 4.22Å; I71-L144 HydrophobicContact CD1-CG 4.47Å; V88-L144 HydrophobicContact CG1-CD2 4.37Å; A92-L144 HydrophobicContact CB-CB 3.77Å; A92-L144 HydrophobicContact CB-CD1 4.41Å; A92-L144 HydrophobicContact CB-CD2 4.32Å; A92-L144 HydrophobicContact CB-CG 4.39Å; I95-L144 HydrophobicContact CG2-CD2 3.56Å; V142-L144 HydrophobicContact CG1-CD2 4.34Å; L144-L147 HydrophobicContact CB-CD2 4.35Å; L144-V153 HydrophobicContact CD1-CG1 4.08Å; L144-V153 HydrophobicContact CD1-CG2 4.21Å; L144-V155 HydrophobicContact CD1-CG2 3.79Å |
| 145 | L | 94.1 | Very high | 91.1 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 176.3 | -175.8 | -63.2 | -173.4 | 0 | 0 | 0 | 113.7 | A92 R93 T94 E96 K143 L147 | A92-L145 WeakPolarHBondContact CA-O 3.31Å; A92-L145 WeakPolarHBondContact CB-O 3.43Å; R93-L145 PolarHBondContact N-O 3.08Å; T94-L145 HydrophobicContact CG2-CD1 4.18Å; T94-L145 WeakPolarHBondContact O-CB 3.25Å; T94-L145 PolarHBondContact O-N 3.17Å; E96-L145 VanDerWaalsContact CD-CD1 3.49Å; E96-L145 HydrophobicContact CG-CD1 3.71Å; K143-L145 HydrophobicContact CD-CD2 4.47Å; K143-L145 HydrophobicContact CG-CD2 4.12Å; L145-L147 VanDerWaalsContact C-N 3.26Å; L145-L147 PolarHBondContact O-N 3.01Å |
| 146 | S | 90.1 | Very high | 91.4 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | trans | 59.1 | 33.8 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 113.7 | G148 | S146-G148 PolarHBondContact O-N 2.67Š| ||
| 147 | L | 87.8 | Confident | 91.4 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | trans | -68.9 | -14.8 | -177.9 | -53.5 | -175.1 | 0 | 0 | 0 | 113.5 | W20 C69 A92 L144 L145 R150 V153 | W20-L147 HydrophobicContact CH2-CD1 3.42Å; W20-L147 VanDerWaalsContact CH2-CD1 3.42Å; W20-L147 HydrophobicContact CZ2-CD1 4.08Å; W20-L147 HydrophobicContact CZ3-CD1 3.95Å; C69-L147 HydrophobicContact CB-CD1 3.99Å; A92-L147 HydrophobicContact CB-CD2 3.75Å; L144-L147 HydrophobicContact CB-CD2 4.35Å; L145-L147 VanDerWaalsContact C-N 3.26Å; L145-L147 PolarHBondContact O-N 3.01Å; L147-R150 WeakPolarHBondContact O-CB 3.11Å; L147-R150 WeakPolarHBondContact O-CG 3.36Å; L147-R150 PolarHBondContact O-N 3.35Å; L147-R150 PolarHBondContact O-NE 3.39Å; L147-V153 HydrophobicContact CD2-CB 4.09Å; L147-V153 HydrophobicContact CD2-CG2 3.78Å | ||
| 148 | G | 83.6 | Confident | 91.5 | Very high | 75 Ų | 75 | 32 Ų | 32 | 77% | 0.773 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 31.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | S146 R150 | S146-G148 PolarHBondContact O-N 2.67Å; G148-R150 PolarHBondContact O-N 2.8Å |
| 149 | G | 82.6 | Confident | 91.5 | Very high | 87 Ų | 87 | 29.8 Ų | 29.8 | 90% | 0.897 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 1.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 150 | R | 87.1 | Confident | 91.5 | Very high | 84 Ų | 84 | 29.4 Ų | 29.4 | 32% | 0.317 | 20% | 0.199 | S | C | . | . | trans | -73.2 | 126.9 | 176.6 | -62.1 | -179.2 | -67.8 | 165.3 | 6.2 | 110.6 | E91 L147 G148 S152 | E91-R150 IonicContact OE1-CZ 3.53Å; E91-R150 IonicContact OE1-NH1 3.72Å; E91-R150 PolarHBondContact OE1-NH1 3.33Å; E91-R150 IonicContact OE1-NH2 2.66Å; E91-R150 IonicContact OE2-NH1 3.93Å; L147-R150 WeakPolarHBondContact O-CB 3.11Å; L147-R150 WeakPolarHBondContact O-CG 3.36Å; L147-R150 PolarHBondContact O-N 3.35Å; L147-R150 PolarHBondContact O-NE 3.39Å; G148-R150 PolarHBondContact O-N 2.8Å; R150-S152 PolarHBondContact O-N 3.04Å | ||
| 151 | G | 89.1 | Confident | 91.3 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 34% | 0.34 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -77.9 | 15.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E61 Q62 | E61-G151 WeakPolarHBondContact CA-O 3.39Å; Q62-G151 WeakPolarHBondContact CB-O 3.39Å; Q62-G151 PolarHBondContact N-O 3.18Å |
| 152 | S | 91.5 | Very high | 90.9 | Very high | 30 Ų | 30 | 26.3 Ų | 26.3 | 21% | 0.21 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 150.1 | 172.8 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | L60 R123 R150 | L60-S152 CarbonylContact O-C 3.53Å; L60-S152 VanDerWaalsContact O-CA 3.22Å; L60-S152 WeakPolarHBondContact O-CA 3.23Å; R123-S152 PolarHBondContact NH2-OG 3.38Å; R123-S152 VanDerWaalsContact NH2-OG 3.09Å; R150-S152 PolarHBondContact O-N 3.04Å |
| 153 | V | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 137.9 | -177.5 | 63.2 | 0 | 0 | 0 | 0 | 110.4 | W20 L60 C69 E91 A92 L144 L147 | W20-V153 HydrophobicContact CE3-CG1 3.98Å; W20-V153 HydrophobicContact CZ3-CB 4.4Å; W20-V153 HydrophobicContact CZ3-CG1 3.9Å; L60-V153 HydrophobicContact CB-CG1 4.01Å; L60-V153 HydrophobicContact CD1-CG1 4.46Å; L60-V153 PolarHBondContact N-O 3.37Å; L60-V153 PolarHBondContact O-N 2.96Å; C69-V153 HydrophobicContact CB-CG1 4.44Å; C69-V153 VanDerWaalsContact SG-CG1 3.6Å; E91-V153 HydrophobicContact CB-CG2 4.25Å; A92-V153 HydrophobicContact CB-CG2 4.44Å; L144-V153 HydrophobicContact CD1-CG1 4.08Å; L144-V153 HydrophobicContact CD1-CG2 4.21Å; L147-V153 HydrophobicContact CD2-CB 4.09Å; L147-V153 HydrophobicContact CD2-CG2 3.78Å |
| 154 | A | 91.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P57 V58 S90 E91 F126 | P57-A154 HydrophobicContact CB-CB 4.05Å; V58-A154 WeakPolarHBondContact O-CA 3.32Å; S90-A154 VanDerWaalsContact CA-O 3.32Å; S90-A154 WeakPolarHBondContact CA-O 3.27Å; S90-A154 VanDerWaalsContact CB-O 3.31Å; S90-A154 WeakPolarHBondContact CB-O 3.33Å; E91-A154 HydrophobicContact CG-CB 4.21Å; E91-A154 PolarHBondContact N-O 3Å; E91-A154 VanDerWaalsContact N-O 3.14Å; E91-A154 PolarHBondContact OE2-N 3.04Å; F126-A154 HydrophobicContact CE1-CB 3.8Å; F126-A154 HydrophobicContact CZ-CB 3.65Å |
| 155 | V | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.5 | 172.5 | -167.4 | 0 | 0 | 0 | 0 | 107.5 | I32 P57 V58 L60 I71 L144 V158 | I32-V155 HydrophobicContact CD1-CB 3.68Å; I32-V155 HydrophobicContact CD1-CG1 3.52Å; I32-V155 WeakPolarHBondContact CD1-O 3.3Å; P57-V155 CarbonylContact C-O 3.59Å; P57-V155 WeakPolarHBondContact CA-O 3.31Å; V58-V155 PolarHBondContact N-O 3.02Å; V58-V155 PolarHBondContact O-N 3.15Å; L60-V155 HydrophobicContact CD1-CG2 3.83Å; L60-V155 HydrophobicContact CG-CG2 4.39Å; I71-V155 HydrophobicContact CD1-CG1 4.45Å; I71-V155 HydrophobicContact CD1-CG2 4.21Å; L144-V155 HydrophobicContact CD1-CG2 3.79Å; V155-V158 HydrophobicContact CG1-CG2 3.82Å |
| 156 | A | 89.5 | Confident | 87.1 | Confident | 10 Ų | 10 | 34 Ų | 34 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -33.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I32 P57 T89 F126 | I32-A156 WeakPolarHBondContact CG2-O 3.25Å; P57-A156 HydrophobicContact CB-CB 4.29Å; T89-A156 HydrophobicContact CG2-CB 4.22Å; T89-A156 PolarHBondContact O-N 3.07Å; F126-A156 HydrophobicContact CD1-CB 3.92Å; F126-A156 HydrophobicContact CE1-CB 3.72Å; F126-A156 HydrophobicContact CZ-CB 4.39Å |
| 157 | R | 89.6 | Confident | 85.3 | Confident | 23 Ų | 23 | 36.8 Ų | 36.8 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 140.5 | -176.9 | -150 | -169.9 | -67 | -78.7 | 13 | 111.5 | L34 D48 T51 P52 T89 V159 | L34-R157 HydrophobicContact CD1-CG 3.71Å; D48-R157 WeakPolarHBondContact OD1-CD 3.48Å; D48-R157 IonicContact OD1-CZ 2.69Å; D48-R157 IonicContact OD1-NE 3.62Å; D48-R157 PolarHBondContact OD1-NE 3.37Å; T51-R157 PolarHBondContact O-NH2 2.97Å; P52-R157 PolarHBondContact O-NH2 3.32Å; T89-R157 PolarHBondContact N-O 3.29Å; T89-R157 PolarHBondContact O-N 3.38Å; R157-V159 HydrophobicContact CG-CG2 3.8Å |
| 158 | V | 93.2 | Very high | 83.4 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 99.4 | 165.9 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | I32 L33 L34 L73 L87 V88 V155 M160 | I32-V158 HydrophobicContact CD1-CG2 4.43Å; I32-V158 PolarHBondContact O-N 2.81Å; L33-V158 HydrophobicContact CD2-CB 3.91Å; L33-V158 HydrophobicContact CD2-CG1 4.17Å; L33-V158 HydrophobicContact CD2-CG2 4.45Å; L34-V158 PolarHBondContact N-O 3.25Å; L73-V158 HydrophobicContact CD1-CG1 4.09Å; L73-V158 HydrophobicContact CD2-CG1 4.48Å; L87-V158 CarbonylContact O-C 3.54Å; L87-V158 WeakPolarHBondContact O-CA 3.37Å; V88-V158 HydrophobicContact CG1-CG2 4.46Å; V88-V158 HydrophobicContact CG2-CG1 4.42Å; V155-V158 HydrophobicContact CG1-CG2 3.82Å; V158-M160 HydrophobicContact CG1-CG 4.16Å; V158-M160 HydrophobicContact CG1-SD 4.45Å |
| 159 | V | 91.6 | Very high | 81.6 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 135.7 | 176.3 | -164.4 | 0 | 0 | 0 | 0 | 108.8 | L34 V36 I44 L87 R157 | L34-V159 HydrophobicContact CB-CG1 4.31Å; L34-V159 HydrophobicContact CB-CG2 4.28Å; L34-V159 VanDerWaalsContact O-CA 3.31Å; L34-V159 WeakPolarHBondContact O-CA 2.99Å; L34-V159 WeakPolarHBondContact O-CG1 3.34Å; V36-V159 HydrophobicContact CB-CG1 4.43Å; V36-V159 HydrophobicContact CG2-CG1 3.54Å; I44-V159 HydrophobicContact CG2-CB 4.08Å; I44-V159 HydrophobicContact CG2-CG1 3.72Å; L87-V159 HydrophobicContact CB-CB 4.21Å; L87-V159 HydrophobicContact CD2-CB 4.42Å; L87-V159 HydrophobicContact CD2-CG2 3.94Å; L87-V159 PolarHBondContact N-O 3.49Å; L87-V159 PolarHBondContact O-N 3.48Å; R157-V159 HydrophobicContact CG-CG2 3.8Å |
| 160 | M | 92 | Very high | 79.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.1 | -173.1 | -60.2 | 165.8 | -72.1 | 0 | 0 | 109.3 | V14 L33 L34 P35 V36 L73 L86 V158 L162 | V14-M160 HydrophobicContact CB-CE 3.89Å; V14-M160 HydrophobicContact CB-SD 4.14Å; V14-M160 HydrophobicContact CG1-CE 3.93Å; V14-M160 HydrophobicContact CG1-SD 3.58Å; V14-M160 VanDerWaalsContact CG1-SD 3.58Å; V14-M160 HydrophobicContact CG2-CE 4.33Å; V14-M160 HydrophobicContact CG2-SD 4.4Å; L33-M160 HydrophobicContact CB-CE 3.81Å; L33-M160 HydrophobicContact CD2-CE 4.28Å; L33-M160 HydrophobicContact CG-CE 4.42Å; L34-M160 PolarHBondContact O-N 3.44Å; P35-M160 HydrophobicContact CB-CE 4.41Å; V36-M160 PolarHBondContact N-O 3.32Å; L73-M160 HydrophobicContact CB-SD 4.48Å; L73-M160 HydrophobicContact CD1-CG 4.29Å; L73-M160 HydrophobicContact CD1-SD 3.88Å; L73-M160 HydrophobicContact CD2-SD 3.98Å; L73-M160 HydrophobicContact CG-SD 4.33Å; L86-M160 HydrophobicContact CD2-CB 4.36Å; L86-M160 HydrophobicContact CD2-CG 3.78Å; V158-M160 HydrophobicContact CG1-CG 4.16Å; V158-M160 HydrophobicContact CG1-SD 4.45Å; M160-L162 PolarHBondContact O-N 3.5Å |
| 161 | G | 90.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 121.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | I44 I83 T84 S85 | I44-G161 VanDerWaalsContact CD1-CA 3.4Å; I83-G161 CarbonylContact C-O 3.53Å; I83-G161 WeakPolarHBondContact CA-O 3.29Å; T84-G161 PolarHBondContact N-O 3.08Å; T84-G161 PolarHBondContact OG1-O 3.23Å; S85-G161 PolarHBondContact O-N 3.05Å |
| 162 | L | 89.8 | Confident | 75.3 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.3 | -179.8 | -62.4 | -174 | 0 | 0 | 0 | 110.8 | P13 V14 P35 V36 S38 A81 L82 I83 M160 | P13-L162 HydrophobicContact CB-CD1 4.35Å; P13-L162 HydrophobicContact CG-CD1 4.19Å; V14-L162 HydrophobicContact CG2-CD1 3.84Å; V14-L162 HydrophobicContact CG2-CD2 3.83Å; V14-L162 HydrophobicContact CG2-CG 4.39Å; P35-L162 HydrophobicContact CB-CD1 3.57Å; P35-L162 HydrophobicContact CB-CG 4.28Å; V36-L162 PolarHBondContact O-N 3.17Å; S38-L162 PolarHBondContact N-O 2.92Å; A81-L162 HydrophobicContact CB-CB 4.36Å; A81-L162 HydrophobicContact CB-CD1 4.27Å; A81-L162 HydrophobicContact CB-CD2 4.5Å; L82-L162 WeakPolarHBondContact O-CA 3.27Å; I83-L162 HydrophobicContact CB-CD2 4.49Å; I83-L162 HydrophobicContact CG1-CD2 3.88Å; M160-L162 PolarHBondContact O-N 3.5Å |
| 163 | Q | 88 | Confident | 73 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.4 | 165.1 | -178.7 | 174.3 | 8.1 | 0 | 0 | 108.6 | A81 L82 T84 | A81-Q163 WeakPolarHBondContact CA-O 3.47Å; L82-Q163 PolarHBondContact N-O 2.95Å; L82-Q163 PolarHBondContact O-N 3.34Å; T84-Q163 HydrophobicContact CG2-CB 3.5Å |
| 164 | T | 82.6 | Confident | 70.8 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.7 | 173.6 | -50.9 | 0 | 0 | 0 | 0 | 109.3 | Q37 P80 | Q37-T164 PolarHBondContact NE2-OG1 2.97Å; P80-T164 HydrophobicContact CG-CG2 4.16Å; P80-T164 CarbonylContact O-C 3.51Å; P80-T164 WeakPolarHBondContact O-CA 3.32Å |
| 165 | L | 71.2 | Confident | 68.7 | Low | 56 Ų | 56 | 57.7 Ų | 57.7 | 29% | 0.293 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 124.9 | 170.3 | -61.7 | 173.7 | 0 | 0 | 0 | 108.9 | P80 L82 D169 | P80-L165 PolarHBondContact O-N 3.46Å; L82-L165 HydrophobicContact CD1-CD1 4.08Å; L82-L165 HydrophobicContact CD1-CD2 4.09Å; L82-L165 HydrophobicContact CD1-CG 4.27Å; L82-L165 HydrophobicContact CG-CD1 4.16Å; L82-L165 HydrophobicContact CG-CG 4.31Å; L165-D169 HydrophobicContact CD2-CB 4.21Å |
| 166 | T | 62.7 | Low | 66.8 | Low | 66 Ų | 66 | 64.2 Ų | 64.2 | 41% | 0.405 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 159.7 | 168.3 | 73.4 | 0 | 0 | 0 | 0 | 109.4 | V168 D169 C170 | T166-V168 PolarHBondContact O-N 3.21Å; T166-V168 PolarHBondContact OG1-N 3.2Å; T166-D169 WeakPolarHBondContact CA-OD2 3.48Å; T166-D169 VanDerWaalsContact CB-OD2 3.3Å; T166-D169 WeakPolarHBondContact CB-OD2 3.5Å; T166-D169 PolarHBondContact N-OD2 3.26Å; T166-D169 PolarHBondContact O-N 3.13Å; T166-D169 PolarHBondContact OG1-OD2 2.76Å; T166-C170 PolarHBondContact O-N 3.17Å; T166-C170 PolarHBondContact O-SG 3.12Å |
| 167 | P | 53.3 | Low | 65.5 | Low | 122 Ų | 122 | 67.5 Ų | 67.5 | 79% | 0.792 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -14.4 | 175.4 | -26.2 | 36.1 | 0 | 0 | 0 | 115 | ||
| 168 | V | 47.3 | Very low | 64.5 | Low | 107 Ų | 107 | 71.6 Ų | 71.6 | 65% | 0.648 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -43.2 | 174.1 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | T166 C170 S171 | T166-V168 PolarHBondContact O-N 3.21Å; T166-V168 PolarHBondContact OG1-N 3.2Å; V168-C170 PolarHBondContact O-N 2.76Å; V168-S171 WeakPolarHBondContact O-CB 3.43Å; V168-S171 PolarHBondContact O-N 3.28Å; V168-S171 VanDerWaalsContact O-N 3.14Å; V168-S171 PolarHBondContact O-OG 3.03Å |
| 169 | D | 45.3 | Very low | 63.7 | Low | 62 Ų | 62 | 75.6 Ų | 75.6 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -64.8 | -28.7 | -179.7 | -50.8 | -55.4 | 0 | 0 | 0 | 111.9 | L165 T166 S171 L172 | L165-D169 HydrophobicContact CD2-CB 4.21Å; T166-D169 WeakPolarHBondContact CA-OD2 3.48Å; T166-D169 VanDerWaalsContact CB-OD2 3.3Å; T166-D169 WeakPolarHBondContact CB-OD2 3.5Å; T166-D169 PolarHBondContact N-OD2 3.26Å; T166-D169 PolarHBondContact O-N 3.13Å; T166-D169 PolarHBondContact OG1-OD2 2.76Å; D169-S171 PolarHBondContact O-N 2.87Å; D169-L172 PolarHBondContact O-N 3.49Å |
| 170 | C | 42.2 | Very low | 63.2 | Low | 80 Ų | 80 | 76.3 Ų | 76.3 | 54% | 0.541 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -59.6 | -12.3 | 174.6 | -63.1 | 0 | 0 | 0 | 0 | 114.4 | T166 V168 | T166-C170 PolarHBondContact O-N 3.17Å; T166-C170 PolarHBondContact O-SG 3.12Å; V168-C170 PolarHBondContact O-N 2.76Å |
| 171 | S | 40.3 | Very low | 62.5 | Low | 91 Ų | 91 | 82.4 Ų | 82.4 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -79.9 | -14.3 | 173.8 | 66.3 | 0 | 0 | 0 | 0 | 114.4 | V168 D169 | V168-S171 WeakPolarHBondContact O-CB 3.43Å; V168-S171 PolarHBondContact O-N 3.28Å; V168-S171 VanDerWaalsContact O-N 3.14Å; V168-S171 PolarHBondContact O-OG 3.03Å; D169-S171 PolarHBondContact O-N 2.87Å |
| 172 | L | 44.4 | Very low | 62.1 | Low | 131 Ų | 131 | 90.5 Ų | 90.5 | 69% | 0.686 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -90.1 | -7.8 | -174.3 | -64.5 | 171.2 | 0 | 0 | 0 | 114.1 | D169 L174 | D169-L172 PolarHBondContact O-N 3.49Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.46Å |
| 173 | S | 42.8 | Very low | 61.6 | Low | 110 Ų | 110 | 92.2 Ų | 92.2 | 77% | 0.769 | 54% | 0.537 | S | S | * | . | trans | -84.8 | 61.2 | -178.2 | -161 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 174 | L | 45.5 | Very low | 61.2 | Low | 142 Ų | 142 | 92.1 Ų | 92.1 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -124.8 | 50.7 | 172.5 | -144.9 | 78.1 | 0 | 0 | 0 | 112.8 | L172 L216 | L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.46Å; L174-L216 HydrophobicContact CD2-CD1 4.04Å |
| 175 | G | 48.9 | Very low | 61 | Low | 50 Ų | 50 | 92.9 Ų | 92.9 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | S | Bend | trans | 89 | 178.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | S177 | G175-S177 PolarHBondContact O-N 2.83Š|
| 176 | P | 52.3 | Low | 61.3 | Low | 138 Ų | 138 | 94.3 Ų | 94.3 | 90% | 0.896 | 55% | 0.55 | S | S | * | . | trans | -77.6 | 65.1 | -177.1 | 32.9 | -36.3 | 0 | 0 | 0 | 111.9 | I178 | P176-I178 PolarHBondContact O-N 3.07Š| ||
| 177 | S | 61.4 | Low | 62.2 | Low | 79 Ų | 79 | 93 Ų | 93 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | trans | -75.1 | 116.9 | 166.8 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | G175 D179 | G175-S177 PolarHBondContact O-N 2.83Å; S177-D179 PolarHBondContact O-N 3.19Å | ||
| 178 | I | 69.7 | Low | 63.4 | Low | 108 Ų | 108 | 94.5 Ų | 94.5 | 55% | 0.554 | 54% | 0.538 | S | S | * | . | trans | -58.3 | 118.2 | 174.9 | -61.1 | 168.5 | 0 | 0 | 0 | 109.1 | P176 M180 V183 Q209 | P176-I178 PolarHBondContact O-N 3.07Å; I178-M180 HydrophobicContact CB-SD 4.4Å; I178-M180 HydrophobicContact CG2-SD 3.97Å; I178-M180 PolarHBondContact O-N 2.8Å; I178-V183 HydrophobicContact CG2-CG2 3.82Å; I178-Q209 PolarHBondContact O-NE2 3.34Å | ||
| 179 | D | 75.7 | Confident | 64.9 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 47% | 0.465 | 54% | 0.543 | S | S | . | . | trans | -68.9 | 104.4 | 175.4 | 176.1 | 10.3 | 0 | 0 | 0 | 110.5 | S177 L181 R182 V183 | S177-D179 PolarHBondContact O-N 3.19Å; D179-L181 VanDerWaalsContact C-N 3.26Å; D179-L181 PolarHBondContact O-N 2.8Å; D179-L181 WeakPolarHBondContact OD1-CB 3.5Å; D179-L181 PolarHBondContact OD1-N 3.03Å; D179-R182 HydrophobicContact CB-CB 4.09Å; D179-R182 PolarHBondContact O-N 2.87Å; D179-R182 PolarHBondContact OD1-N 3.02Å; D179-R182 WeakPolarHBondContact OD2-CB 3.31Å; D179-R182 PolarHBondContact OD2-N 3.14Å; D179-V183 WeakPolarHBondContact O-CG2 3.44Å; D179-V183 PolarHBondContact O-N 3.44Å | ||
| 180 | M | 80.4 | Confident | 66.2 | Low | 18 Ų | 18 | 101.9 Ų | 101.9 | 9% | 0.089 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -70.6 | -19.8 | -178.4 | -58.4 | -56.5 | -63.4 | 0 | 0 | 113.1 | I178 Q184 M202 V205 Q206 Q209 | I178-M180 HydrophobicContact CB-SD 4.4Å; I178-M180 HydrophobicContact CG2-SD 3.97Å; I178-M180 PolarHBondContact O-N 2.8Å; M180-Q184 WeakPolarHBondContact O-CB 3.32Å; M180-Q184 PolarHBondContact O-N 2.69Å; M180-M202 HydrophobicContact CE-CB 4.26Å; M180-M202 HydrophobicContact CE-CE 4.31Å; M180-M202 HydrophobicContact CE-CG 3.39Å; M180-V205 HydrophobicContact CE-CB 4.13Å; M180-V205 HydrophobicContact CE-CG1 4.12Å; M180-V205 HydrophobicContact CG-CG1 4.35Å; M180-V205 HydrophobicContact SD-CB 4.27Å; M180-V205 HydrophobicContact SD-CG1 3.59Å; M180-V205 VanDerWaalsContact SD-CG1 3.59Å; M180-Q206 HydrophobicContact CB-CG 3.76Å; M180-Q206 HydrophobicContact CE-CG 4.2Å; M180-Q206 HydrophobicContact CG-CG 3.78Å; M180-Q209 VanDerWaalsContact CG-OE1 3.26Å |
| 181 | L | 78.1 | Confident | 67.3 | Low | 127 Ų | 127 | 101.3 Ų | 101.3 | 67% | 0.665 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.1 | -44.5 | 174 | -61.8 | 174.4 | 0 | 0 | 0 | 110.4 | D179 V183 Q184 S185 | D179-L181 VanDerWaalsContact C-N 3.26Å; D179-L181 PolarHBondContact O-N 2.8Å; D179-L181 WeakPolarHBondContact OD1-CB 3.5Å; D179-L181 PolarHBondContact OD1-N 3.03Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.38Å; L181-Q184 WeakPolarHBondContact O-CB 2.99Å; L181-Q184 PolarHBondContact O-N 3.49Å; L181-S185 PolarHBondContact O-N 3.06Å |
| 182 | R | 82.1 | Confident | 68.6 | Low | 170 Ų | 170 | 99.6 Ų | 99.6 | 64% | 0.642 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61 | -41.5 | 171.7 | -176 | 177.2 | 178.6 | -178.2 | -0.1 | 111.9 | D179 Q184 S185 M186 | D179-R182 HydrophobicContact CB-CB 4.09Å; D179-R182 PolarHBondContact O-N 2.87Å; D179-R182 PolarHBondContact OD1-N 3.02Å; D179-R182 WeakPolarHBondContact OD2-CB 3.31Å; D179-R182 PolarHBondContact OD2-N 3.14Å; R182-Q184 VanDerWaalsContact C-N 3.35Å; R182-S185 PolarHBondContact O-N 2.84Å; R182-M186 HydrophobicContact CG-CE 4.15Å; R182-M186 HydrophobicContact CG-SD 4.43Å; R182-M186 WeakPolarHBondContact O-CG 3.46Å; R182-M186 PolarHBondContact O-N 2.91Å |
| 183 | V | 79.8 | Confident | 70.1 | Confident | 45 Ų | 45 | 99.1 Ų | 99.1 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.9 | -43.4 | 173.1 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | I178 D179 L181 M186 V187 M202 | I178-V183 HydrophobicContact CG2-CG2 3.82Å; D179-V183 WeakPolarHBondContact O-CG2 3.44Å; D179-V183 PolarHBondContact O-N 3.44Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.38Å; V183-M186 HydrophobicContact CG2-CE 4.37Å; V183-M186 PolarHBondContact O-N 2.81Å; V183-V187 VanDerWaalsContact O-CG2 3.31Å; V183-V187 WeakPolarHBondContact O-CG2 3.24Å; V183-V187 PolarHBondContact O-N 2.88Å; V183-M202 HydrophobicContact CB-CE 4.48Å; V183-M202 HydrophobicContact CG1-CE 4.09Å |
| 184 | Q | 79.8 | Confident | 71.6 | Confident | 92 Ų | 92 | 96.5 Ų | 96.5 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 176.8 | -168.6 | 166.6 | -3.6 | 0 | 0 | 112.2 | M180 L181 R182 M186 V187 E188 M202 | M180-Q184 WeakPolarHBondContact O-CB 3.32Å; M180-Q184 PolarHBondContact O-N 2.69Å; L181-Q184 WeakPolarHBondContact O-CB 2.99Å; L181-Q184 PolarHBondContact O-N 3.49Å; R182-Q184 VanDerWaalsContact C-N 3.35Å; Q184-M186 PolarHBondContact O-N 3.41Å; Q184-V187 PolarHBondContact O-N 3.38Å; Q184-E188 WeakPolarHBondContact O-CB 3.17Å; Q184-E188 PolarHBondContact O-N 2.76Å; Q184-M202 HydrophobicContact CB-CE 3.66Å; Q184-M202 HydrophobicContact CG-CE 4.21Å |
| 185 | S | 77.4 | Confident | 73.3 | Confident | 69 Ų | 69 | 93.1 Ų | 93.1 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.7 | -169.3 | 0 | 0 | 0 | 0 | 112.4 | L181 R182 E188 E189 | L181-S185 PolarHBondContact O-N 3.06Å; R182-S185 PolarHBondContact O-N 2.84Å; S185-E188 PolarHBondContact O-N 3.01Å; S185-E189 VanDerWaalsContact O-CB 3.24Å; S185-E189 WeakPolarHBondContact O-CB 3.42Å; S185-E189 PolarHBondContact O-N 3.15Å |
| 186 | M | 78.7 | Confident | 74.8 | Confident | 87 Ų | 87 | 96.3 Ų | 96.3 | 43% | 0.429 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.3 | -34.5 | 178.8 | -67.5 | -178.7 | -57.7 | 0 | 0 | 112.4 | R182 V183 Q184 M190 | R182-M186 HydrophobicContact CG-CE 4.15Å; R182-M186 HydrophobicContact CG-SD 4.43Å; R182-M186 WeakPolarHBondContact O-CG 3.46Å; R182-M186 PolarHBondContact O-N 2.91Å; V183-M186 HydrophobicContact CG2-CE 4.37Å; V183-M186 PolarHBondContact O-N 2.81Å; Q184-M186 PolarHBondContact O-N 3.41Å; M186-M190 WeakPolarHBondContact O-CB 3.48Å; M186-M190 WeakPolarHBondContact O-CG 3.43Å; M186-M190 PolarHBondContact O-N 2.87Å |
| 187 | V | 80.9 | Confident | 76.3 | Confident | 39 Ų | 39 | 91.9 Ų | 91.9 | 24% | 0.236 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 173.8 | 164.3 | 0 | 0 | 0 | 0 | 111.4 | V183 Q184 G191 A192 L194 | V183-V187 VanDerWaalsContact O-CG2 3.31Å; V183-V187 WeakPolarHBondContact O-CG2 3.24Å; V183-V187 PolarHBondContact O-N 2.88Å; Q184-V187 PolarHBondContact O-N 3.38Å; V187-G191 PolarHBondContact O-N 3.05Å; V187-A192 WeakPolarHBondContact CG1-O 3.31Å; V187-A192 PolarHBondContact O-N 3.34Å; V187-L194 HydrophobicContact CG1-CD1 4.21Å; V187-L194 HydrophobicContact CG1-CD2 4.02Å; V187-L194 HydrophobicContact CG1-CG 3.76Å; V187-L194 HydrophobicContact CG2-CD1 4.49Å; V187-L194 HydrophobicContact CG2-CD2 3.96Å; V187-L194 HydrophobicContact CG2-CG 4.41Å |
| 188 | E | 79.4 | Confident | 77.3 | Confident | 152 Ų | 152 | 89.8 Ų | 89.8 | 71% | 0.71 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.1 | -42.5 | 178 | -171.6 | 165.9 | -165.8 | 0 | 0 | 112 | Q184 S185 M190 G191 | Q184-E188 WeakPolarHBondContact O-CB 3.17Å; Q184-E188 PolarHBondContact O-N 2.76Å; S185-E188 PolarHBondContact O-N 3.01Å; E188-M190 PolarHBondContact O-N 3.47Å; E188-G191 PolarHBondContact O-N 3.37Å |
| 189 | E | 77.8 | Confident | 78 | Confident | 164 Ų | 164 | 88.4 Ų | 88.4 | 77% | 0.766 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 175.5 | -175.8 | 177.1 | -172.6 | 0 | 0 | 112.6 | S185 G191 | S185-E189 VanDerWaalsContact O-CB 3.24Å; S185-E189 WeakPolarHBondContact O-CB 3.42Å; S185-E189 PolarHBondContact O-N 3.15Å; E189-G191 PolarHBondContact O-N 3.18Å |
| 190 | M | 72.1 | Confident | 78.4 | Confident | 160 Ų | 160 | 87.9 Ų | 87.9 | 79% | 0.788 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8.1 | 172.6 | -76.3 | -174.2 | 154.9 | 0 | 0 | 113.9 | M186 E188 A192 | M186-M190 WeakPolarHBondContact O-CB 3.48Å; M186-M190 WeakPolarHBondContact O-CG 3.43Å; M186-M190 PolarHBondContact O-N 2.87Å; E188-M190 PolarHBondContact O-N 3.47Å; M190-A192 HydrophobicContact CB-CB 4.35Å; M190-A192 PolarHBondContact O-N 2.87Å; M190-A192 VanDerWaalsContact O-N 3.11Å |
| 191 | G | 65 | Low | 78.7 | Confident | 69 Ų | 69 | 92.7 Ų | 92.7 | 71% | 0.711 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 13.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V187 E188 E189 | V187-G191 PolarHBondContact O-N 3.05Å; E188-G191 PolarHBondContact O-N 3.37Å; E189-G191 PolarHBondContact O-N 3.18Å |
| 192 | A | 68.6 | Low | 79 | Confident | 55 Ų | 55 | 87.4 Ų | 87.4 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | trans | -96 | 108.8 | -171 | 0 | 0 | 0 | 0 | 0 | 110.6 | V187 M190 L194 | V187-A192 WeakPolarHBondContact CG1-O 3.31Å; V187-A192 PolarHBondContact O-N 3.34Å; M190-A192 HydrophobicContact CB-CB 4.35Å; M190-A192 PolarHBondContact O-N 2.87Å; M190-A192 VanDerWaalsContact O-N 3.11Å; A192-L194 PolarHBondContact O-N 3.29Å | ||
| 193 | S | 75.1 | Confident | 79.1 | Confident | 121 Ų | 121 | 83.2 Ų | 83.2 | 85% | 0.846 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 124.4 | 173.2 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 194 | L | 74.8 | Confident | 79.3 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 29% | 0.288 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 142.2 | 176.7 | -67.7 | 179.7 | 0 | 0 | 0 | 110.7 | V187 A192 A198 Q199 M202 | V187-L194 HydrophobicContact CG1-CD1 4.21Å; V187-L194 HydrophobicContact CG1-CD2 4.02Å; V187-L194 HydrophobicContact CG1-CG 3.76Å; V187-L194 HydrophobicContact CG2-CD1 4.49Å; V187-L194 HydrophobicContact CG2-CD2 3.96Å; V187-L194 HydrophobicContact CG2-CG 4.41Å; A192-L194 PolarHBondContact O-N 3.29Å; L194-A198 HydrophobicContact CB-CB 4.18Å; L194-A198 HydrophobicContact CD2-CB 4.26Å; L194-Q199 HydrophobicContact CB-CB 4.36Å; L194-M202 HydrophobicContact CD1-SD 3.64Å |
| 195 | S | 80.8 | Confident | 79.5 | Confident | 71 Ų | 71 | 83.9 Ų | 83.9 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 151.8 | 169.6 | 74.9 | 0 | 0 | 0 | 0 | 110.1 | G197 A198 Q199 | S195-G197 PolarHBondContact O-N 3.46Å; S195-G197 VanDerWaalsContact O-N 3.08Å; S195-A198 PolarHBondContact O-N 2.97Å; S195-A198 WeakPolarHBondContact OG-CB 3.26Å; S195-A198 PolarHBondContact OG-N 3.39Å; S195-Q199 PolarHBondContact O-N 3.33Å |
| 196 | P | 81.7 | Confident | 79.8 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 76% | 0.76 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -55.3 | -32.1 | -179.6 | -28.5 | 35.9 | 0 | 0 | 0 | 113.7 | S200 | P196-S200 WeakPolarHBondContact O-CB 3.48Å; P196-S200 PolarHBondContact O-N 3Å; P196-S200 VanDerWaalsContact O-N 3.08Å |
| 197 | G | 83.6 | Confident | 79.9 | Confident | 44 Ų | 44 | 85.6 Ų | 85.6 | 45% | 0.454 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | S195 S200 L201 | S195-G197 PolarHBondContact O-N 3.46Å; S195-G197 VanDerWaalsContact O-N 3.08Å; G197-S200 PolarHBondContact O-N 2.87Å; G197-L201 WeakPolarHBondContact O-CG 3.43Å; G197-L201 PolarHBondContact O-N 3.4Å |
| 198 | A | 82.6 | Confident | 79.8 | Confident | 35 Ų | 35 | 88.5 Ų | 88.5 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L194 S195 S200 L201 M202 | L194-A198 HydrophobicContact CB-CB 4.18Å; L194-A198 HydrophobicContact CD2-CB 4.26Å; S195-A198 PolarHBondContact O-N 2.97Å; S195-A198 WeakPolarHBondContact OG-CB 3.26Å; S195-A198 PolarHBondContact OG-N 3.39Å; A198-S200 VanDerWaalsContact C-N 3.35Å; A198-S200 PolarHBondContact O-N 3.04Å; A198-L201 PolarHBondContact O-N 3.38Å; A198-M202 WeakPolarHBondContact O-CB 3.49Å; A198-M202 PolarHBondContact O-N 3.48Å |
| 199 | Q | 84 | Confident | 79.7 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 174.3 | -167.8 | 66.2 | 68.1 | 0 | 0 | 112 | L194 S195 M202 N203 | L194-Q199 HydrophobicContact CB-CB 4.36Å; S195-Q199 PolarHBondContact O-N 3.33Å; Q199-M202 WeakPolarHBondContact O-CB 3.47Å; Q199-M202 PolarHBondContact O-N 3.38Å; Q199-N203 PolarHBondContact NE2-OD1 3.38Å; Q199-N203 PolarHBondContact O-N 3.33Å; Q199-N203 PolarHBondContact O-OD1 2.86Å |
| 200 | S | 83.8 | Confident | 79.6 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.8 | -168.5 | 0 | 0 | 0 | 0 | 112.2 | P196 G197 A198 N203 M204 | P196-S200 WeakPolarHBondContact O-CB 3.48Å; P196-S200 PolarHBondContact O-N 3Å; P196-S200 VanDerWaalsContact O-N 3.08Å; G197-S200 PolarHBondContact O-N 2.87Å; A198-S200 VanDerWaalsContact C-N 3.35Å; A198-S200 PolarHBondContact O-N 3.04Å; S200-N203 PolarHBondContact O-N 3.46Å; S200-M204 WeakPolarHBondContact O-CB 3.23Å; S200-M204 PolarHBondContact O-N 3.49Å |
| 201 | L | 87.1 | Confident | 79.5 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 63% | 0.628 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 173.3 | -71.5 | 170.4 | 0 | 0 | 0 | 112.1 | G197 A198 N203 M204 V205 | G197-L201 WeakPolarHBondContact O-CG 3.43Å; G197-L201 PolarHBondContact O-N 3.4Å; A198-L201 PolarHBondContact O-N 3.38Å; L201-N203 PolarHBondContact O-N 2.84Å; L201-M204 WeakPolarHBondContact O-CB 3.49Å; L201-M204 PolarHBondContact O-N 3.49Å; L201-V205 WeakPolarHBondContact O-CG2 3.22Å; L201-V205 PolarHBondContact O-N 2.82Å |
| 202 | M | 84.6 | Confident | 79.4 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 7% | 0.074 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 175.9 | -165.6 | -177.5 | -168.6 | 0 | 0 | 111.1 | M180 V183 Q184 L194 A198 Q199 M204 V205 Q206 | M180-M202 HydrophobicContact CE-CB 4.26Å; M180-M202 HydrophobicContact CE-CE 4.31Å; M180-M202 HydrophobicContact CE-CG 3.39Å; V183-M202 HydrophobicContact CB-CE 4.48Å; V183-M202 HydrophobicContact CG1-CE 4.09Å; Q184-M202 HydrophobicContact CB-CE 3.66Å; Q184-M202 HydrophobicContact CG-CE 4.21Å; L194-M202 HydrophobicContact CD1-SD 3.64Å; A198-M202 WeakPolarHBondContact O-CB 3.49Å; A198-M202 PolarHBondContact O-N 3.48Å; Q199-M202 WeakPolarHBondContact O-CB 3.47Å; Q199-M202 PolarHBondContact O-N 3.38Å; M202-M204 VanDerWaalsContact C-N 3.34Å; M202-M204 PolarHBondContact O-N 3.11Å; M202-V205 PolarHBondContact O-N 3.39Å; M202-Q206 WeakPolarHBondContact O-CG 3.35Å; M202-Q206 PolarHBondContact O-N 3Å |
| 203 | N | 84.4 | Confident | 79 | Confident | 82 Ų | 82 | 82.7 Ų | 82.7 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 177.3 | -62.6 | -2.1 | 0 | 0 | 0 | 111.8 | Q199 S200 L201 Q206 F207 | Q199-N203 PolarHBondContact NE2-OD1 3.38Å; Q199-N203 PolarHBondContact O-N 3.33Å; Q199-N203 PolarHBondContact O-OD1 2.86Å; S200-N203 PolarHBondContact O-N 3.46Å; L201-N203 PolarHBondContact O-N 2.84Å; N203-Q206 PolarHBondContact O-N 2.92Å; N203-F207 WeakPolarHBondContact O-CB 3.35Å; N203-F207 PolarHBondContact O-N 3.28Å |
| 204 | M | 83.7 | Confident | 78 | Confident | 98 Ų | 98 | 80.9 Ų | 80.9 | 48% | 0.483 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.8 | -178.2 | 62.3 | 67 | 0 | 0 | 112 | S200 L201 M202 F207 Q208 | S200-M204 WeakPolarHBondContact O-CB 3.23Å; S200-M204 PolarHBondContact O-N 3.49Å; L201-M204 WeakPolarHBondContact O-CB 3.49Å; L201-M204 PolarHBondContact O-N 3.49Å; M202-M204 VanDerWaalsContact C-N 3.34Å; M202-M204 PolarHBondContact O-N 3.11Å; M204-F207 PolarHBondContact O-N 2.87Å; M204-Q208 WeakPolarHBondContact O-CG 3.38Å; M204-Q208 PolarHBondContact O-N 3.27Å |
| 205 | V | 83.1 | Confident | 76.8 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 32% | 0.321 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | M180 L201 M202 F207 Q208 Q209 | M180-V205 HydrophobicContact CE-CB 4.13Å; M180-V205 HydrophobicContact CE-CG1 4.12Å; M180-V205 HydrophobicContact CG-CG1 4.35Å; M180-V205 HydrophobicContact SD-CB 4.27Å; M180-V205 HydrophobicContact SD-CG1 3.59Å; M180-V205 VanDerWaalsContact SD-CG1 3.59Å; L201-V205 WeakPolarHBondContact O-CG2 3.22Å; L201-V205 PolarHBondContact O-N 2.82Å; M202-V205 PolarHBondContact O-N 3.39Å; V205-F207 VanDerWaalsContact C-N 3.34Å; V205-F207 PolarHBondContact O-N 3.43Å; V205-Q208 PolarHBondContact O-N 3Å; V205-Q209 HydrophobicContact CG1-CG 4.32Å; V205-Q209 WeakPolarHBondContact O-CB 3.48Å; V205-Q209 WeakPolarHBondContact O-CG 3.24Å; V205-Q209 PolarHBondContact O-N 3.46Å |
| 206 | Q | 83.5 | Confident | 75.4 | Confident | 66 Ų | 66 | 83.2 Ų | 83.2 | 31% | 0.308 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.1 | -45 | 173.8 | -73.1 | 175.1 | -2.3 | 0 | 0 | 112 | M180 M202 N203 Q209 K210 | M180-Q206 HydrophobicContact CB-CG 3.76Å; M180-Q206 HydrophobicContact CE-CG 4.2Å; M180-Q206 HydrophobicContact CG-CG 3.78Å; M202-Q206 WeakPolarHBondContact O-CG 3.35Å; M202-Q206 PolarHBondContact O-N 3Å; N203-Q206 PolarHBondContact O-N 2.92Å; Q206-Q209 PolarHBondContact O-N 2.85Å; Q206-K210 WeakPolarHBondContact O-CB 3.46Å; Q206-K210 PolarHBondContact O-N 2.66Å |
| 207 | F | 81.2 | Confident | 73.8 | Confident | 127 Ų | 127 | 81.6 Ų | 81.6 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.6 | -41.5 | 177.8 | -172.4 | -114.9 | 0 | 0 | 0 | 112.2 | N203 M204 V205 N211 | N203-F207 WeakPolarHBondContact O-CB 3.35Å; N203-F207 PolarHBondContact O-N 3.28Å; M204-F207 PolarHBondContact O-N 2.87Å; V205-F207 VanDerWaalsContact C-N 3.34Å; V205-F207 PolarHBondContact O-N 3.43Å; F207-N211 WeakPolarHBondContact CD1-ND2 3.36Å; F207-N211 WeakPolarHBondContact CE1-ND2 3.28Å; F207-N211 WeakPolarHBondContact CE2-ND2 3.34Å; F207-N211 WeakPolarHBondContact CZ-ND2 3.33Å; F207-N211 WeakPolarHBondContact O-CB 3.33Å; F207-N211 PolarHBondContact O-N 3.23Å; F207-N211 PolarHBondContact O-ND2 2.85Å; F207-N211 VanDerWaalsContact O-ND2 3.14Å |
| 208 | Q | 79.6 | Confident | 72.3 | Confident | 100 Ų | 100 | 81.8 Ų | 81.8 | 47% | 0.467 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.4 | -73 | -176 | 31 | 0 | 0 | 113.1 | M204 V205 K212 | M204-Q208 WeakPolarHBondContact O-CG 3.38Å; M204-Q208 PolarHBondContact O-N 3.27Å; V205-Q208 PolarHBondContact O-N 3Å; Q208-K212 WeakPolarHBondContact O-CB 3.49Å; Q208-K212 VanDerWaalsContact O-CG 3.27Å; Q208-K212 WeakPolarHBondContact O-CG 3.32Å; Q208-K212 PolarHBondContact O-N 2.76Å |
| 209 | Q | 76.4 | Confident | 70.7 | Confident | 59 Ų | 59 | 87.1 Ų | 87.1 | 28% | 0.276 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65 | -48.8 | 175.6 | -74.3 | 178 | -5 | 0 | 0 | 111.2 | I178 M180 V205 Q206 N211 K212 A213 | I178-Q209 PolarHBondContact O-NE2 3.34Å; M180-Q209 VanDerWaalsContact CG-OE1 3.26Å; V205-Q209 HydrophobicContact CG1-CG 4.32Å; V205-Q209 WeakPolarHBondContact O-CB 3.48Å; V205-Q209 WeakPolarHBondContact O-CG 3.24Å; V205-Q209 PolarHBondContact O-N 3.46Å; Q206-Q209 PolarHBondContact O-N 2.85Å; Q209-N211 PolarHBondContact O-N 3.34Å; Q209-K212 PolarHBondContact O-N 3.36Å; Q209-A213 PolarHBondContact O-N 2.85Å |
| 210 | K | 76.8 | Confident | 69.1 | Low | 139 Ų | 139 | 88.8 Ų | 88.8 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.4 | -51.3 | 177.8 | -177.7 | 167.3 | -177.6 | 170.8 | 0 | 111.8 | Q206 K212 A213 D214 | Q206-K210 WeakPolarHBondContact O-CB 3.46Å; Q206-K210 PolarHBondContact O-N 2.66Å; K210-K212 VanDerWaalsContact C-N 3.27Å; K210-K212 PolarHBondContact O-N 2.99Å; K210-A213 PolarHBondContact O-N 2.87Å; K210-A213 VanDerWaalsContact O-N 3.14Å; K210-D214 PolarHBondContact O-N 2.86Å |
| 211 | N | 69.2 | Low | 67.5 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 35% | 0.353 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.7 | -27.9 | 179.5 | -65 | -23.8 | 0 | 0 | 0 | 112.9 | F207 Q209 S215 | F207-N211 WeakPolarHBondContact CD1-ND2 3.36Å; F207-N211 WeakPolarHBondContact CE1-ND2 3.28Å; F207-N211 WeakPolarHBondContact CE2-ND2 3.34Å; F207-N211 WeakPolarHBondContact CZ-ND2 3.33Å; F207-N211 WeakPolarHBondContact O-CB 3.33Å; F207-N211 PolarHBondContact O-N 3.23Å; F207-N211 PolarHBondContact O-ND2 2.85Å; F207-N211 VanDerWaalsContact O-ND2 3.14Å; Q209-N211 PolarHBondContact O-N 3.34Å; N211-S215 WeakPolarHBondContact O-CB 3.42Å; N211-S215 PolarHBondContact O-N 3Å |
| 212 | K | 63.2 | Low | 65.5 | Low | 146 Ų | 146 | 89.3 Ų | 89.3 | 64% | 0.635 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.9 | -38.6 | 172.7 | -82.7 | 175.9 | 176.6 | 178.5 | 0 | 112.5 | Q208 Q209 K210 | Q208-K212 WeakPolarHBondContact O-CB 3.49Å; Q208-K212 VanDerWaalsContact O-CG 3.27Å; Q208-K212 WeakPolarHBondContact O-CG 3.32Å; Q208-K212 PolarHBondContact O-N 2.76Å; Q209-K212 PolarHBondContact O-N 3.36Å; K210-K212 VanDerWaalsContact C-N 3.27Å; K210-K212 PolarHBondContact O-N 2.99Å |
| 213 | A | 59.3 | Low | 63.8 | Low | 68 Ų | 68 | 95.8 Ų | 95.8 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -50.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | Q209 K210 S215 L216 | Q209-A213 PolarHBondContact O-N 2.85Å; K210-A213 PolarHBondContact O-N 2.87Å; K210-A213 VanDerWaalsContact O-N 3.14Å; A213-S215 VanDerWaalsContact C-N 3.33Å; A213-S215 PolarHBondContact O-N 3.48Å; A213-L216 PolarHBondContact O-N 2.84Å |
| 214 | D | 54.5 | Low | 62 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | -179.2 | -69 | -30.9 | 0 | 0 | 0 | 112 | K210 L216 S217 | K210-D214 PolarHBondContact O-N 2.86Å; D214-L216 VanDerWaalsContact C-N 3.27Å; D214-L216 PolarHBondContact O-N 2.84Å; D214-S217 WeakPolarHBondContact O-CB 3.29Å; D214-S217 PolarHBondContact O-N 2.85Å; D214-S217 PolarHBondContact O-OG 2.88Å |
| 215 | S | 49.9 | Very low | 60.2 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -26.2 | 179.6 | -173 | 0 | 0 | 0 | 0 | 114.3 | N211 A213 | N211-S215 WeakPolarHBondContact O-CB 3.42Å; N211-S215 PolarHBondContact O-N 3Å; A213-S215 VanDerWaalsContact C-N 3.33Å; A213-S215 PolarHBondContact O-N 3.48Å |
| 216 | L | 52 | Low | 58.5 | Low | 102 Ų | 102 | 100.6 Ų | 100.6 | 53% | 0.534 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -80.5 | -22.2 | 174.2 | -69.8 | 177.9 | 0 | 0 | 0 | 113.1 | L174 A213 D214 L220 | L174-L216 HydrophobicContact CD2-CD1 4.04Å; A213-L216 PolarHBondContact O-N 2.84Å; D214-L216 VanDerWaalsContact C-N 3.27Å; D214-L216 PolarHBondContact O-N 2.84Å; L216-L220 WeakPolarHBondContact O-CD1 3.39Å; L216-L220 WeakPolarHBondContact O-CG 3.44Å |
| 217 | S | 47.9 | Very low | 57 | Low | 83 Ų | 83 | 101.5 Ų | 101.5 | 58% | 0.58 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.1 | -32.5 | 176.3 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | D214 P221 | D214-S217 WeakPolarHBondContact O-CB 3.29Å; D214-S217 PolarHBondContact O-N 2.85Å; D214-S217 PolarHBondContact O-OG 2.88Å; S217-P221 WeakPolarHBondContact O-CD 3.29Å |
| 218 | G | 50.6 | Low | 55.2 | Low | 49 Ų | 49 | 99.3 Ų | 99.3 | 51% | 0.505 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78.2 | -24.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 219 | F | 50.1 | Low | 53.4 | Low | 146 Ų | 146 | 102.4 Ų | 102.4 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -107.9 | -19.9 | -172 | -75.9 | -78.7 | 0 | 0 | 0 | 115.2 | P221 L222 | F219-P221 VanDerWaalsContact C-N 3.35Å; F219-L222 HydrophobicContact CD1-CD1 4.42Å; F219-L222 PolarHBondContact O-N 3.14Å |
| 220 | L | 50.4 | Low | 51.6 | Low | 115 Ų | 115 | 106 Ų | 106 | 60% | 0.602 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.1 | -29.4 | 175.1 | -67.9 | 175.9 | 0 | 0 | 0 | 114.9 | L216 L222 | L216-L220 WeakPolarHBondContact O-CD1 3.39Å; L216-L220 WeakPolarHBondContact O-CG 3.44Å; L220-L222 PolarHBondContact O-N 2.8Å |
| 221 | P | 49.4 | Very low | 49.7 | Very low | 86 Ų | 86 | 103.2 Ų | 103.2 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.5 | -24.3 | 174.5 | -26.6 | 36.5 | 0 | 0 | 0 | 115.1 | S217 F219 | S217-P221 WeakPolarHBondContact O-CD 3.29Å; F219-P221 VanDerWaalsContact C-N 3.35Å |
| 222 | L | 45.3 | Very low | 48.1 | Very low | 120 Ų | 120 | 108.5 Ų | 108.5 | 63% | 0.628 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -84.8 | -33.2 | -174.6 | -66.3 | 176.1 | 0 | 0 | 0 | 113.2 | F219 L220 V224 S225 | F219-L222 HydrophobicContact CD1-CD1 4.42Å; F219-L222 PolarHBondContact O-N 3.14Å; L220-L222 PolarHBondContact O-N 2.8Å; L222-V224 VanDerWaalsContact C-N 3.31Å; L222-V224 PolarHBondContact O-N 2.89Å; L222-S225 PolarHBondContact O-N 3.29Å |
| 223 | L | 49.2 | Very low | 46.8 | Very low | 151 Ų | 151 | 106.1 Ų | 106.1 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.6 | -15 | 179.4 | -81.1 | 166.4 | 0 | 0 | 0 | 114 | ||
| 224 | V | 47.1 | Very low | 45.5 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -6 | 176.8 | -167.4 | 0 | 0 | 0 | 0 | 112 | L222 | L222-V224 VanDerWaalsContact C-N 3.31Å; L222-V224 PolarHBondContact O-N 2.89Å |
| 225 | S | 46.3 | Very low | 44.4 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -19.6 | -177.3 | -166.5 | 0 | 0 | 0 | 0 | 114.1 | L222 G227 | L222-S225 PolarHBondContact O-N 3.29Å; S225-G227 PolarHBondContact O-N 3.42Å |
| 226 | S | 45.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -90.8 | 84.4 | 178.2 | -155.5 | 0 | 0 | 0 | 0 | 111.6 | A228 | S226-A228 PolarHBondContact O-N 3.03Å; S226-A228 VanDerWaalsContact O-N 3.08Å | ||
| 227 | G | 51.9 | Low | 42.4 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | -73.6 | 94.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S225 | S225-G227 PolarHBondContact O-N 3.42Š| ||
| 228 | A | 45 | Very low | 41.4 | Very low | 81 Ų | 81 | 120.7 Ų | 120.7 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | -143.1 | 138.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S226 | S226-A228 PolarHBondContact O-N 3.03Å; S226-A228 VanDerWaalsContact O-N 3.08Å | ||
| 229 | L | 40.4 | Very low | 40.9 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | 66.9 | 51.6 | 167.5 | -50.3 | -173.8 | 0 | 0 | 0 | 118.3 | A231 | L229-A231 PolarHBondContact O-N 2.99Š| ||
| 230 | S | 38.7 | Very low | 39.8 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | -69.8 | 71.4 | 154.7 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 231 | A | 36.5 | Very low | 38.6 | Very low | 79 Ų | 79 | 123.1 Ų | 123.1 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | trans | -153.7 | 128.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L229 | L229-A231 PolarHBondContact O-N 2.99Š| ||
| 232 | L | 37.2 | Very low | 37.6 | Very low | 177 Ų | 177 | 123.5 Ų | 123.5 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | cis | -133.4 | 129.4 | 26 | -74.1 | 144.7 | 0 | 0 | 0 | 112.2 | ||||
| 233 | A | 34.8 | Very low | 37.6 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -150.9 | 81 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 234 | R | 31.9 | Very low | 36.4 | Very low | 242 Ų | 242 | 121.3 Ų | 121.3 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -162.7 | 86.9 | 163.2 | -114 | 178.7 | -154.9 | 113.5 | 4.6 | 113.9 | ||||
| 235 | V | 31.5 | Very low | 35.3 | Very low | 131 Ų | 131 | 122 Ų | 122 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | 10.2 | 111.7 | 128.7 | -171.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 236 | T | 31.9 | Very low | 34.4 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | 168.2 | 141 | 120.7 | 32.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 237 | N | 29.1 | Very low | 33.4 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | 59.8 | 140.4 | 148.5 | -54.7 | -10.8 | 0 | 0 | 0 | 121.6 | ||||
| 238 | G | 25.7 | Very low | 32.3 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -97.1 | -156.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 239 | P | 40 | Very low | 31.7 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | cis | -136.8 | 177 | 14.8 | 43.7 | -27.1 | 0 | 0 | 0 | 117.1 | ||||
| 240 | S | 27 | Very low | 31.1 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 48.9 | 110.8 | 147.4 | -163.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 241 | S | 26.7 | Very low | 30.5 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | -171.9 | 157.7 | 126.8 | 46.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 242 | A | 27.2 | Very low | 30 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -140.5 | -176.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 243 | P | 45.1 | Very low | 29.4 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -131.8 | 179 | -6.2 | 42.3 | -27.2 | 0 | 0 | 0 | 114.2 | ||||
| 244 | A | 25 | Very low | 28.8 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 151.3 | 161.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 245 | D | 22.9 | Very low | 28.5 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -167.3 | 172.5 | -45.2 | -159.2 | -2.6 | 0 | 0 | 0 | 108.6 | ||||
| 246 | I | 27.7 | Very low | 28.4 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | 80.3 | 109.6 | 155.4 | -65.2 | 174.3 | 0 | 0 | 0 | 120.2 | ||||
| 247 | Q | 25.1 | Very low | 28.6 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 83.1 | 124.7 | 140 | -76.1 | 168.2 | 9.4 | 0 | 0 | 124.9 | ||||
| 248 | H | 29.3 | Very low | 28.3 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -75.3 | 169.4 | 147 | -66.9 | -112 | 0 | 0 | 0 | 111 | ||||
| 249 | P | 32 | Very low | 28.4 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | -141.1 | 160.4 | 100.8 | 38 | -26.3 | 0 | 0 | 0 | 115.4 | |||||
| 250 | S | 28.6 | Very low | 27.8 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -97.5 | 158 | 172.1 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 251 | V | 25 | Very low | 27.9 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -137.6 | 131 | 162 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 252 | N | 26.5 | Very low | 27.7 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -101.7 | 157 | 173.9 | -80.6 | -9.4 | 0 | 0 | 0 | 111.4 | ||||
| 253 | T | 24.6 | Very low | 27.7 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -170 | 111.8 | 146.3 | -72 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 254 | S | 22.5 | Very low | 26.8 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | 64.7 | 139 | 72.7 | -137.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 255 | L | 25.4 | Very low | 27.2 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | cis | -144.3 | 174.8 | 35.6 | -80.6 | 158.1 | 0 | 0 | 0 | 114.2 | ||||
| 256 | Q | 28.7 | Very low | 27.3 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -84.9 | -169.8 | 174.6 | -85.8 | 178.2 | -85.2 | 0 | 0 | 112 | ||||
| 257 | P | 36.8 | Very low | 27.3 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | -148.9 | 175.6 | 20.5 | 44.3 | -22.4 | 0 | 0 | 0 | 120.8 | ||||
| 258 | D | 22.9 | Very low | 28.1 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 34.1 | 156.7 | 136.1 | -45.5 | -23.3 | 0 | 0 | 0 | 121.5 | ||||
| 259 | E | 27.3 | Very low | 27.8 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | cis | -160.2 | -174.9 | 4.4 | -137.8 | -172.4 | 174.7 | 0 | 0 | 107.8 | ||||
| 260 | M | 28.3 | Very low | 28.1 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | -163.6 | 155.4 | -1.8 | -159.7 | -168.8 | -155.8 | 0 | 0 | 109.5 | ||||
| 261 | S | 27.8 | Very low | 28.1 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | 59.1 | 157.5 | 149.8 | -83.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 262 | D | 23.2 | Very low | 28.1 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -153.9 | -175.5 | -14.6 | -133.6 | -65.4 | 0 | 0 | 0 | 113.8 | ||||
| 263 | S | 27 | Very low | 28.1 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -69.7 | 173.3 | -166.4 | -52.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 264 | A | 25.6 | Very low | 28.2 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | 102.8 | 163.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 265 | S | 34.5 | Very low | 28.4 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -115 | 150.3 | -155.5 | 56 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 266 | S | 24.5 | Very low | 28.5 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -167.2 | 134 | 150.6 | -78 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 267 | D | 28.6 | Very low | 28.9 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -79.6 | -177.1 | 155.2 | -72.6 | -60.2 | 0 | 0 | 0 | 110.3 | ||||
| 268 | P | 41.7 | Very low | 28.9 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | -130.2 | -171.8 | -6.3 | 30.4 | -8 | 0 | 0 | 0 | 113.5 | ||||
| 269 | W | 22.1 | Very low | 29.8 | Very low | 241 Ų | 241 | 137.9 Ų | 137.9 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | 171.6 | 167.8 | 139.2 | -93.7 | 27.1 | 0 | 0 | 0 | 111.3 | ||||
| 270 | P | 38 | Very low | 30.6 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | -126.8 | 175 | -87.8 | 26.3 | -2.1 | 0 | 0 | 0 | 115.4 | |||||
| 271 | Q | 28.7 | Very low | 31.4 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -92.5 | 138.8 | 177.5 | -67.9 | 179.9 | -14.7 | 0 | 0 | 114 | ||||
| 272 | S | 24.5 | Very low | 32.4 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -162.9 | 102.7 | 146.2 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 273 | R | 27.2 | Very low | 33.9 | Very low | 237 Ų | 237 | 127.8 Ų | 127.8 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | 57.5 | 97.1 | 91.2 | -74.9 | -169.3 | 174.9 | -167.6 | -1 | 115.6 | |||||
| 274 | A | 26.5 | Very low | 35 | Very low | 110 Ų | 110 | 128 Ų | 128 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -137.9 | 146.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 275 | A | 27.8 | Very low | 36.3 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -131.3 | 151.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 276 | C | 26.1 | Very low | 37.1 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 89% | 0.892 | 73% | 0.731 | S | S | * | * | trans | -134.9 | 108.7 | 167.3 | -63.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 277 | D | 36.9 | Very low | 38.3 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -83 | 141.4 | -175.9 | -63.2 | -71.3 | 0 | 0 | 0 | 112.7 | ||||
| 278 | T | 38.3 | Very low | 39.5 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -163.1 | -11.5 | 159.2 | -7.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 279 | H | 41.4 | Very low | 40 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 84% | 0.843 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -97.8 | -2.1 | -169.8 | -76.3 | -75 | 0 | 0 | 0 | 116.8 | ||
| 280 | T | 44.1 | Very low | 41.5 | Very low | 80 Ų | 80 | 117.6 Ų | 117.6 | 49% | 0.491 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -74.2 | -33.8 | -168.6 | 44 | 0 | 0 | 0 | 0 | 115.3 | L282 A283 D284 | T280-L282 PolarHBondContact O-N 3.44Å; T280-L282 VanDerWaalsContact O-N 3.15Å; T280-A283 PolarHBondContact O-N 3.26Å; T280-D284 PolarHBondContact O-N 2.82Å; T280-D284 VanDerWaalsContact O-N 3.15Å |
| 281 | G | 44.9 | Very low | 42 | Very low | 49 Ų | 49 | 118.9 Ų | 118.9 | 51% | 0.505 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -57.4 | -36.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | M285 | G281-M285 WeakPolarHBondContact O-CG 3.43Å |
| 282 | L | 49.4 | Very low | 42.6 | Very low | 134 Ų | 134 | 112.9 Ų | 112.9 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -82.8 | -28.4 | 177.1 | -80.3 | 170.3 | 0 | 0 | 0 | 113.2 | T280 M286 | T280-L282 PolarHBondContact O-N 3.44Å; T280-L282 VanDerWaalsContact O-N 3.15Å; L282-M286 VanDerWaalsContact O-CE 3.32Å; L282-M286 WeakPolarHBondContact O-CE 3.22Å |
| 283 | A | 53.3 | Low | 43.5 | Very low | 52 Ų | 52 | 116.2 Ų | 116.2 | 43% | 0.43 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -68.9 | -48.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T280 M285 M286 S287 | T280-A283 PolarHBondContact O-N 3.26Å; A283-M285 VanDerWaalsContact C-N 3.27Å; A283-M285 PolarHBondContact O-N 3.34Å; A283-M286 PolarHBondContact O-N 3.48Å; A283-S287 PolarHBondContact O-N 2.82Å; A283-S287 PolarHBondContact O-OG 3.24Å |
| 284 | D | 51.6 | Low | 44.2 | Very low | 108 Ų | 108 | 111.6 Ų | 111.6 | 58% | 0.578 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.6 | -30.3 | -178.4 | -74.2 | -38.8 | 0 | 0 | 0 | 113.4 | T280 M286 | T280-D284 PolarHBondContact O-N 2.82Å; T280-D284 VanDerWaalsContact O-N 3.15Å; D284-M286 VanDerWaalsContact C-N 3.29Å; D284-M286 PolarHBondContact O-N 2.96Å |
| 285 | M | 52 | Low | 45 | Very low | 144 Ų | 144 | 109.4 Ų | 109.4 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.4 | -22.2 | 172.9 | -69.6 | -173.1 | 72.7 | 0 | 0 | 113.6 | G281 A283 | G281-M285 WeakPolarHBondContact O-CG 3.43Å; A283-M285 VanDerWaalsContact C-N 3.27Å; A283-M285 PolarHBondContact O-N 3.34Å |
| 286 | M | 51.3 | Low | 45.9 | Very low | 105 Ų | 105 | 109.5 Ų | 109.5 | 52% | 0.517 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -97.6 | -21.6 | 177.6 | -67 | -171.3 | -72.8 | 0 | 0 | 113.4 | L282 A283 D284 F289 | L282-M286 VanDerWaalsContact O-CE 3.32Å; L282-M286 WeakPolarHBondContact O-CE 3.22Å; A283-M286 PolarHBondContact O-N 3.48Å; D284-M286 VanDerWaalsContact C-N 3.29Å; D284-M286 PolarHBondContact O-N 2.96Å; M286-F289 PolarHBondContact O-N 3.35Å |
| 287 | S | 50.4 | Low | 46.6 | Very low | 62 Ų | 62 | 115.1 Ų | 115.1 | 43% | 0.434 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -44.1 | -42.4 | 176.1 | -69.8 | 0 | 0 | 0 | 0 | 116.1 | A283 F289 | A283-S287 PolarHBondContact O-N 2.82Å; A283-S287 PolarHBondContact O-OG 3.24Å; S287-F289 VanDerWaalsContact C-N 3.27Å; S287-F289 PolarHBondContact O-N 2.87Å |
| 288 | P | 53.5 | Low | 47.1 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.3 | -16.4 | -179.5 | 23.6 | -28.5 | 0 | 0 | 0 | 114.5 | ||
| 289 | F | 52 | Low | 47.2 | Very low | 78 Ų | 78 | 120 Ų | 120 | 34% | 0.342 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -94.3 | -10.3 | -177.8 | -61.8 | -84.5 | 0 | 0 | 0 | 114 | M286 S287 L305 M308 | M286-F289 PolarHBondContact O-N 3.35Å; S287-F289 VanDerWaalsContact C-N 3.27Å; S287-F289 PolarHBondContact O-N 2.87Å; F289-L305 HydrophobicContact CD1-CD1 4.49Å; F289-M308 HydrophobicContact CE1-CE 3.96Å; F289-M308 HydrophobicContact CE2-CE 4.06Å; F289-M308 HydrophobicContact CZ-CE 3.53Å |
| 290 | L | 54.8 | Low | 47.3 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -121.3 | -0.4 | -170.4 | -63 | 176.1 | 0 | 0 | 0 | 114.4 | G292 | L290-G292 PolarHBondContact O-N 3.43Å |
| 291 | N | 48.4 | Very low | 47.5 | Very low | 144 Ų | 144 | 120.1 Ų | 120.1 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | -78.3 | 79.1 | -172.1 | -168 | 7.5 | 0 | 0 | 0 | 113.5 | ||||
| 292 | G | 40.8 | Very low | 48 | Very low | 66 Ų | 66 | 119.4 Ų | 119.4 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | trans | -89 | 123.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L290 | L290-G292 PolarHBondContact O-N 3.43Š| ||
| 293 | Q | 43.9 | Very low | 48.3 | Very low | 179 Ų | 179 | 117.8 Ų | 117.8 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | trans | -64.7 | 148.4 | 173.1 | -93.4 | -165.3 | -7.1 | 0 | 0 | 112.5 | G295 | Q293-G295 VanDerWaalsContact C-N 3.32Å; Q293-G295 PolarHBondContact O-N 2.89Å | ||
| 294 | P | 41.5 | Very low | 48.5 | Very low | 140 Ų | 140 | 120.6 Ų | 120.6 | 91% | 0.909 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -73.9 | 81.2 | 176.8 | 31.5 | -35 | 0 | 0 | 0 | 111 | ||
| 295 | G | 41.9 | Very low | 48.9 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -155.5 | 34.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q293 R297 | Q293-G295 VanDerWaalsContact C-N 3.32Å; Q293-G295 PolarHBondContact O-N 2.89Å; G295-R297 PolarHBondContact O-N 3.36Å |
| 296 | G | 46.4 | Very low | 49.2 | Very low | 85 Ų | 85 | 116.2 Ų | 116.2 | 88% | 0.876 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 64.6 | 41.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 297 | R | 42.7 | Very low | 49.9 | Very low | 250 Ų | 250 | 114.6 Ų | 114.6 | 94% | 0.943 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -149.9 | 167.7 | 161.4 | -122.8 | 172.3 | 175.5 | -166.3 | -2.6 | 112.6 | G295 | G295-R297 PolarHBondContact O-N 3.36Š|
| 298 | R | 46.4 | Very low | 50.7 | Low | 232 Ų | 232 | 115.9 Ų | 115.9 | 88% | 0.875 | 66% | 0.661 | S | S | * | * | trans | -51.1 | 142.4 | -173.4 | -76.7 | 178.8 | 171.2 | 153.5 | -3.8 | 112.5 | C300 | R298-C300 PolarHBondContact O-N 2.9Š| ||
| 299 | P | 40.5 | Very low | 51.4 | Low | 130 Ų | 130 | 115.8 Ų | 115.8 | 84% | 0.844 | 66% | 0.655 | S | S | * | * | trans | -63 | 125.9 | 170.7 | 28 | -33.8 | 0 | 0 | 0 | 109.5 | ||||
| 300 | C | 43 | Very low | 52 | Low | 127 Ų | 127 | 118.2 Ų | 118.2 | 86% | 0.858 | 67% | 0.667 | S | S | * | * | trans | -105.1 | 116.3 | 174.7 | -160.3 | 0 | 0 | 0 | 0 | 108.1 | R298 | R298-C300 PolarHBondContact O-N 2.9Š| ||
| 301 | I | 48.1 | Very low | 52.8 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 70% | 0.697 | 65% | 0.653 | S | S | * | * | trans | -68.1 | 132.1 | 176.4 | -59.7 | 169.9 | 0 | 0 | 0 | 107.8 | L305 | I301-L305 HydrophobicContact CG2-CB 4.29Å; I301-L305 HydrophobicContact CG2-CD2 3.84Å | ||
| 302 | S | 55 | Low | 53.7 | Low | 35 Ų | 35 | 111.4 Ų | 111.4 | 25% | 0.245 | 64% | 0.639 | C | S | . | * | trans | -65.6 | 140.5 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | D304 L305 | S302-D304 PolarHBondContact O-N 2.83Å; S302-L305 PolarHBondContact O-N 2.82Å | ||
| 303 | P | 57.4 | Low | 55 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -28.5 | -173 | 24.4 | -34 | 0 | 0 | 0 | 112.9 | L305 L306 P307 | P303-L305 VanDerWaalsContact C-N 3.31Å; P303-L305 PolarHBondContact O-N 2.96Å; P303-L306 PolarHBondContact O-N 2.88Å; P303-P307 WeakPolarHBondContact O-CD 3.36Å |
| 304 | D | 55.8 | Low | 56.1 | Low | 110 Ų | 110 | 105.1 Ų | 105.1 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -15.2 | -175.9 | -51.1 | -68.1 | 0 | 0 | 0 | 114.4 | S302 L306 P307 M308 | S302-D304 PolarHBondContact O-N 2.83Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 2.67Å; D304-P307 WeakPolarHBondContact O-CD 3.45Å; D304-M308 PolarHBondContact O-N 2.71Å |
| 305 | L | 61.1 | Low | 57 | Low | 53 Ų | 53 | 103.7 Ų | 103.7 | 28% | 0.277 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69 | -30.7 | 174.3 | -170.4 | 66.5 | 0 | 0 | 0 | 111.8 | F289 I301 S302 P303 M308 L309 | F289-L305 HydrophobicContact CD1-CD1 4.49Å; I301-L305 HydrophobicContact CG2-CB 4.29Å; I301-L305 HydrophobicContact CG2-CD2 3.84Å; S302-L305 PolarHBondContact O-N 2.82Å; P303-L305 VanDerWaalsContact C-N 3.31Å; P303-L305 PolarHBondContact O-N 2.96Å; L305-M308 HydrophobicContact CD1-SD 4.39Å; L305-M308 PolarHBondContact O-N 2.81Å; L305-L309 HydrophobicContact CD2-CD1 4.49Å; L305-L309 HydrophobicContact CG-CD1 4.04Å; L305-L309 HydrophobicContact CG-CG 4.46Å; L305-L309 WeakPolarHBondContact O-CB 3.23Å; L305-L309 WeakPolarHBondContact O-CG 3.22Å; L305-L309 PolarHBondContact O-N 3.06Å |
| 306 | L | 58.9 | Low | 57.7 | Low | 107 Ų | 107 | 103.9 Ų | 103.9 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68 | -50.4 | 179 | -106.4 | 166.9 | 0 | 0 | 0 | 112.5 | P303 D304 M308 L309 Q310 | P303-L306 PolarHBondContact O-N 2.88Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 2.67Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.34Å; L306-L309 PolarHBondContact O-N 3.4Å; L306-Q310 WeakPolarHBondContact O-CB 3.39Å; L306-Q310 VanDerWaalsContact O-CG 3.28Å; L306-Q310 WeakPolarHBondContact O-CG 3.24Å; L306-Q310 PolarHBondContact O-N 3.22Å |
| 307 | P | 65.6 | Low | 58.4 | Low | 72 Ų | 72 | 103.5 Ų | 103.5 | 47% | 0.468 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56 | -38.6 | 170.3 | -28.6 | 35.9 | 0 | 0 | 0 | 113.7 | P303 D304 Q310 S311 | P303-P307 WeakPolarHBondContact O-CD 3.36Å; D304-P307 WeakPolarHBondContact O-CD 3.45Å; P307-Q310 PolarHBondContact O-N 3.21Å; P307-S311 WeakPolarHBondContact O-CB 3.12Å; P307-S311 PolarHBondContact O-N 2.63Å |
| 308 | M | 65.8 | Low | 59 | Low | 88 Ų | 88 | 97.8 Ų | 97.8 | 43% | 0.433 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 176.4 | -170.7 | -164.5 | -61 | 0 | 0 | 111.4 | F289 D304 L305 L306 Q310 S311 V312 | F289-M308 HydrophobicContact CE1-CE 3.96Å; F289-M308 HydrophobicContact CE2-CE 4.06Å; F289-M308 HydrophobicContact CZ-CE 3.53Å; D304-M308 PolarHBondContact O-N 2.71Å; L305-M308 HydrophobicContact CD1-SD 4.39Å; L305-M308 PolarHBondContact O-N 2.81Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.34Å; M308-Q310 PolarHBondContact O-N 2.95Å; M308-S311 WeakPolarHBondContact O-CB 3.4Å; M308-S311 PolarHBondContact O-N 3.01Å; M308-V312 WeakPolarHBondContact O-CG2 3.42Å; M308-V312 PolarHBondContact O-N 2.86Å |
| 309 | L | 68.4 | Low | 59.4 | Low | 96 Ų | 96 | 92.4 Ų | 92.4 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 177.4 | -71.8 | 169.5 | 0 | 0 | 0 | 111.9 | L305 L306 S311 V312 C313 | L305-L309 HydrophobicContact CD2-CD1 4.49Å; L305-L309 HydrophobicContact CG-CD1 4.04Å; L305-L309 HydrophobicContact CG-CG 4.46Å; L305-L309 WeakPolarHBondContact O-CB 3.23Å; L305-L309 WeakPolarHBondContact O-CG 3.22Å; L305-L309 PolarHBondContact O-N 3.06Å; L306-L309 PolarHBondContact O-N 3.4Å; L309-S311 VanDerWaalsContact C-N 3.34Å; L309-S311 PolarHBondContact O-N 3.38Å; L309-V312 PolarHBondContact O-N 3.03Å; L309-C313 WeakPolarHBondContact O-CB 3.49Å; L309-C313 PolarHBondContact O-N 2.85Å; L309-C313 PolarHBondContact O-SG 2.92Å; L309-C313 VanDerWaalsContact O-SG 3.33Å |
| 310 | Q | 65 | Low | 60.1 | Low | 129 Ų | 129 | 95 Ų | 95 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -36.2 | 174.6 | -74.8 | 176 | -11.5 | 0 | 0 | 112.4 | L306 P307 M308 G314 | L306-Q310 WeakPolarHBondContact O-CB 3.39Å; L306-Q310 VanDerWaalsContact O-CG 3.28Å; L306-Q310 WeakPolarHBondContact O-CG 3.24Å; L306-Q310 PolarHBondContact O-N 3.22Å; P307-Q310 PolarHBondContact O-N 3.21Å; M308-Q310 PolarHBondContact O-N 2.95Å; Q310-G314 WeakPolarHBondContact O-CA 3.43Å; Q310-G314 PolarHBondContact O-N 2.86Å |
| 311 | S | 71.8 | Confident | 60.7 | Low | 62 Ų | 62 | 94.4 Ų | 94.4 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | P307 M308 L309 G314 Q315 | P307-S311 WeakPolarHBondContact O-CB 3.12Å; P307-S311 PolarHBondContact O-N 2.63Å; M308-S311 WeakPolarHBondContact O-CB 3.4Å; M308-S311 PolarHBondContact O-N 3.01Å; L309-S311 VanDerWaalsContact C-N 3.34Å; L309-S311 PolarHBondContact O-N 3.38Å; S311-G314 PolarHBondContact O-N 3.45Å; S311-Q315 VanDerWaalsContact O-CG 3.29Å; S311-Q315 WeakPolarHBondContact O-CG 3.35Å; S311-Q315 PolarHBondContact O-N 2.95Å; S311-Q315 PolarHBondContact OG-NE2 2.86Å |
| 312 | V | 67.6 | Low | 60.6 | Low | 79 Ų | 79 | 93.1 Ų | 93.1 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | M308 L309 G314 Q315 V316 | M308-V312 WeakPolarHBondContact O-CG2 3.42Å; M308-V312 PolarHBondContact O-N 2.86Å; L309-V312 PolarHBondContact O-N 3.03Å; V312-G314 VanDerWaalsContact C-N 3.31Å; V312-G314 PolarHBondContact O-N 2.87Å; V312-Q315 PolarHBondContact O-N 2.82Å; V312-V316 WeakPolarHBondContact O-CG2 3.37Å; V312-V316 PolarHBondContact O-N 2.85Å |
| 313 | C | 67.2 | Low | 60.4 | Low | 80 Ų | 80 | 98.1 Ų | 98.1 | 54% | 0.541 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -35.3 | 175.5 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | L309 T317 | L309-C313 WeakPolarHBondContact O-CB 3.49Å; L309-C313 PolarHBondContact O-N 2.85Å; L309-C313 PolarHBondContact O-SG 2.92Å; L309-C313 VanDerWaalsContact O-SG 3.33Å; C313-T317 WeakPolarHBondContact O-CB 3.33Å; C313-T317 PolarHBondContact O-N 2.82Å; C313-T317 PolarHBondContact O-OG1 2.95Å |
| 314 | G | 67.9 | Low | 59.9 | Low | 33 Ų | 33 | 97.4 Ų | 97.4 | 34% | 0.34 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -53.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q310 S311 V312 V316 T317 Q318 | Q310-G314 WeakPolarHBondContact O-CA 3.43Å; Q310-G314 PolarHBondContact O-N 2.86Å; S311-G314 PolarHBondContact O-N 3.45Å; V312-G314 VanDerWaalsContact C-N 3.31Å; V312-G314 PolarHBondContact O-N 2.87Å; G314-V316 PolarHBondContact O-N 3.37Å; G314-T317 WeakPolarHBondContact O-CA 3.41Å; G314-T317 WeakPolarHBondContact O-CB 3.29Å; G314-T317 PolarHBondContact O-N 2.89Å; G314-Q318 WeakPolarHBondContact O-CB 3.31Å; G314-Q318 PolarHBondContact O-N 2.78Å |
| 315 | Q | 59.9 | Low | 59.4 | Low | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 178.1 | -69.3 | 168.9 | 22.5 | 0 | 0 | 112.2 | S311 V312 T317 Q318 L319 | S311-Q315 VanDerWaalsContact O-CG 3.29Å; S311-Q315 WeakPolarHBondContact O-CG 3.35Å; S311-Q315 PolarHBondContact O-N 2.95Å; S311-Q315 PolarHBondContact OG-NE2 2.86Å; V312-Q315 PolarHBondContact O-N 2.82Å; Q315-T317 VanDerWaalsContact C-N 3.28Å; Q315-T317 PolarHBondContact O-N 2.66Å; Q315-Q318 PolarHBondContact O-N 2.61Å; Q315-L319 WeakPolarHBondContact O-CG 3.33Å; Q315-L319 PolarHBondContact O-N 3.09Å |
| 316 | V | 57.5 | Low | 58.6 | Low | 68 Ų | 68 | 100.3 Ų | 100.3 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -31.1 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 112.4 | V312 G314 | V312-V316 WeakPolarHBondContact O-CG2 3.37Å; V312-V316 PolarHBondContact O-N 2.85Å; G314-V316 PolarHBondContact O-N 3.37Å |
| 317 | T | 61.2 | Low | 58.1 | Low | 77 Ų | 77 | 102.1 Ų | 102.1 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.9 | -39.5 | 174.2 | -57 | 0 | 0 | 0 | 0 | 111.2 | C313 G314 Q315 R320 I321 | C313-T317 WeakPolarHBondContact O-CB 3.33Å; C313-T317 PolarHBondContact O-N 2.82Å; C313-T317 PolarHBondContact O-OG1 2.95Å; G314-T317 WeakPolarHBondContact O-CA 3.41Å; G314-T317 WeakPolarHBondContact O-CB 3.29Å; G314-T317 PolarHBondContact O-N 2.89Å; Q315-T317 VanDerWaalsContact C-N 3.28Å; Q315-T317 PolarHBondContact O-N 2.66Å; T317-R320 PolarHBondContact O-N 2.87Å; T317-I321 HydrophobicContact CG2-CD1 3.99Å; T317-I321 WeakPolarHBondContact O-CG1 3.34Å; T317-I321 PolarHBondContact O-N 3.45Å |
| 318 | Q | 55.3 | Low | 56.9 | Low | 129 Ų | 129 | 103.9 Ų | 103.9 | 60% | 0.603 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.8 | -43.2 | -178.9 | -153 | 162.1 | 8.9 | 0 | 0 | 111.6 | G314 Q315 R320 I321 E322 | G314-Q318 WeakPolarHBondContact O-CB 3.31Å; G314-Q318 PolarHBondContact O-N 2.78Å; Q315-Q318 PolarHBondContact O-N 2.61Å; Q318-R320 VanDerWaalsContact C-N 3.32Å; Q318-R320 PolarHBondContact O-N 2.77Å; Q318-I321 PolarHBondContact O-N 3.28Å; Q318-I321 VanDerWaalsContact O-N 3.09Å; Q318-E322 PolarHBondContact O-N 3.14Å; Q318-E322 VanDerWaalsContact O-N 3.14Å |
| 319 | L | 53.9 | Low | 55.8 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 62% | 0.623 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -55.9 | -43.7 | 172.8 | -71.8 | 166.9 | 0 | 0 | 0 | 112.4 | Q315 I321 E322 D323 | Q315-L319 WeakPolarHBondContact O-CG 3.33Å; Q315-L319 PolarHBondContact O-N 3.09Å; L319-I321 VanDerWaalsContact C-N 3.27Å; L319-I321 PolarHBondContact O-N 2.82Å; L319-E322 PolarHBondContact O-N 2.81Å; L319-D323 PolarHBondContact O-N 2.87Å |
| 320 | R | 55.7 | Low | 54.4 | Low | 186 Ų | 186 | 106.2 Ų | 106.2 | 70% | 0.702 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.8 | -20.7 | 178 | -73.6 | 178.3 | 175.3 | 163.2 | 1.7 | 114.4 | T317 Q318 | T317-R320 PolarHBondContact O-N 2.87Å; Q318-R320 VanDerWaalsContact C-N 3.32Å; Q318-R320 PolarHBondContact O-N 2.77Å |
| 321 | I | 56.3 | Low | 53.5 | Low | 114 Ų | 114 | 106.2 Ų | 106.2 | 59% | 0.585 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -85.8 | -34.6 | 178.2 | -69 | 167.7 | 0 | 0 | 0 | 110.6 | T317 Q318 L319 A324 | T317-I321 HydrophobicContact CG2-CD1 3.99Å; T317-I321 WeakPolarHBondContact O-CG1 3.34Å; T317-I321 PolarHBondContact O-N 3.45Å; Q318-I321 PolarHBondContact O-N 3.28Å; Q318-I321 VanDerWaalsContact O-N 3.09Å; L319-I321 VanDerWaalsContact C-N 3.27Å; L319-I321 PolarHBondContact O-N 2.82Å; I321-A324 PolarHBondContact O-N 2.69Å |
| 322 | E | 46.2 | Very low | 52.6 | Low | 109 Ų | 109 | 115.2 Ų | 115.2 | 51% | 0.509 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.4 | -41.9 | 176.1 | -72.2 | -151.4 | -166.7 | 0 | 0 | 113.1 | Q318 L319 A324 S325 K326 | Q318-E322 PolarHBondContact O-N 3.14Å; Q318-E322 VanDerWaalsContact O-N 3.14Å; L319-E322 PolarHBondContact O-N 2.81Å; E322-A324 PolarHBondContact O-N 3.24Å; E322-S325 PolarHBondContact O-N 3.01Å; E322-S325 PolarHBondContact O-OG 2.87Å; E322-K326 IonicContact OE2-NZ 2.89Å; E322-K326 PolarHBondContact OE2-NZ 3.38Å |
| 323 | D | 49.7 | Very low | 51.7 | Low | 139 Ų | 139 | 120 Ų | 120 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -56.9 | -33.9 | 176.9 | -79.2 | -22.8 | 0 | 0 | 0 | 112.6 | L319 S325 | L319-D323 PolarHBondContact O-N 2.87Å; D323-S325 PolarHBondContact O-N 2.73Å |
| 324 | A | 47.8 | Very low | 51 | Low | 85 Ų | 85 | 122 Ų | 122 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -8.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I321 E322 | I321-A324 PolarHBondContact O-N 2.69Å; E322-A324 PolarHBondContact O-N 3.24Å |
| 325 | S | 45.2 | Very low | 50.7 | Low | 81 Ų | 81 | 126.8 Ų | 126.8 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -5.2 | -171.8 | 70.5 | 0 | 0 | 0 | 0 | 115.6 | E322 D323 | E322-S325 PolarHBondContact O-N 3.01Å; E322-S325 PolarHBondContact O-OG 2.87Å; D323-S325 PolarHBondContact O-N 2.73Å |
| 326 | K | 43.1 | Very low | 50.6 | Low | 144 Ų | 144 | 125.7 Ų | 125.7 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | trans | -123.9 | 58.1 | -167.2 | -70 | 168.3 | -171.3 | 156.4 | 0 | 113.9 | E322 S328 | E322-K326 IonicContact OE2-NZ 2.89Å; E322-K326 PolarHBondContact OE2-NZ 3.38Å; K326-S328 PolarHBondContact O-N 2.85Å; K326-S328 VanDerWaalsContact O-N 3.1Å | ||
| 327 | T | 48 | Very low | 50.8 | Low | 144 Ų | 144 | 127.2 Ų | 127.2 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | -75.3 | 88.1 | 166.1 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 328 | S | 42.1 | Very low | 50.8 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | -154.9 | 152.8 | 163.2 | -164.9 | 0 | 0 | 0 | 0 | 112 | K326 | K326-S328 PolarHBondContact O-N 2.85Å; K326-S328 VanDerWaalsContact O-N 3.1Å | ||
| 329 | N | 43 | Very low | 51.5 | Low | 170 Ų | 170 | 126.7 Ų | 126.7 | 91% | 0.909 | 69% | 0.685 | S | S | * | * | trans | -79.1 | 135.2 | -173.3 | -59.2 | -77.2 | 0 | 0 | 0 | 112 | ||||
| 330 | G | 39 | Very low | 52.5 | Low | 62 Ų | 62 | 122.8 Ų | 122.8 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | trans | -168.8 | 158.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 331 | P | 44.8 | Very low | 53.7 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | trans | -64.8 | 146.3 | 177.3 | 28.1 | -34.3 | 0 | 0 | 0 | 111.2 | Q333 | P331-Q333 PolarHBondContact O-N 2.83Š| ||
| 332 | R | 52.5 | Low | 54.8 | Low | 252 Ų | 252 | 119.5 Ų | 119.5 | 95% | 0.951 | 67% | 0.667 | S | S | * | * | trans | -62.2 | 95.3 | -171.1 | -164.9 | -176.2 | -161.5 | -175.5 | 5.3 | 111.6 | E334 | R332-E334 PolarHBondContact O-N 2.74Š| ||
| 333 | Q | 49.1 | Very low | 56.8 | Low | 180 Ų | 180 | 118.8 Ų | 118.8 | 84% | 0.841 | 66% | 0.664 | S | S | * | * | trans | -71.6 | 112.2 | 177.8 | -170 | 163.9 | 12.2 | 0 | 0 | 109.8 | P331 H335 | P331-Q333 PolarHBondContact O-N 2.83Å; Q333-H335 PolarHBondContact O-N 3.44Å | ||
| 334 | E | 53.3 | Low | 58.7 | Low | 120 Ų | 120 | 115.6 Ų | 115.6 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | trans | -57.2 | 120.5 | 177.8 | -69.2 | 171.3 | -159.8 | 0 | 0 | 110.7 | R332 A336 R339 | R332-E334 PolarHBondContact O-N 2.74Å; E334-A336 PolarHBondContact O-N 3.06Å; E334-R339 IonicContact OE1-NH2 3.91Å; E334-R339 IonicContact OE2-CZ 3.36Å; E334-R339 IonicContact OE2-NE 3.23Å; E334-R339 PolarHBondContact OE2-NE 3.11Å; E334-R339 IonicContact OE2-NH2 2.66Å; E334-R339 PolarHBondContact OE2-NH2 2.82Å | ||
| 335 | H | 60.3 | Low | 60.6 | Low | 134 Ų | 134 | 116.4 Ų | 116.4 | 62% | 0.62 | 64% | 0.641 | S | S | * | * | trans | -65.2 | 127.8 | 174.8 | -120.2 | -117.5 | 0 | 0 | 0 | 109.1 | Q333 C337 C338 R339 | Q333-H335 PolarHBondContact O-N 3.44Å; H335-C337 PolarHBondContact O-N 2.91Å; H335-C338 WeakPolarHBondContact O-CB 3.43Å; H335-C338 PolarHBondContact O-N 2.9Å; H335-R339 PolarHBondContact O-N 3.41Å | ||
| 336 | A | 59.2 | Low | 62.8 | Low | 87 Ų | 87 | 119.3 Ų | 119.3 | 72% | 0.719 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -56.6 | -25.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E334 G340 | E334-A336 PolarHBondContact O-N 3.06Å; A336-G340 PolarHBondContact O-N 3.42Å |
| 337 | C | 61.3 | Low | 65.2 | Low | 101 Ų | 101 | 119.7 Ų | 119.7 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.1 | -37 | 172.9 | -172.3 | 0 | 0 | 0 | 0 | 113.4 | H335 L341 | H335-C337 PolarHBondContact O-N 2.91Å; C337-L341 PolarHBondContact O-N 3.22Å |
| 338 | C | 60.6 | Low | 67.2 | Low | 63 Ų | 63 | 116.4 Ų | 116.4 | 43% | 0.426 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.8 | -49.9 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | H335 G340 L341 E342 | H335-C338 WeakPolarHBondContact O-CB 3.43Å; H335-C338 PolarHBondContact O-N 2.9Å; C338-G340 PolarHBondContact O-N 3.09Å; C338-L341 WeakPolarHBondContact O-CA 3.41Å; C338-L341 WeakPolarHBondContact O-CB 3.47Å; C338-L341 PolarHBondContact O-N 3.34Å; C338-E342 WeakPolarHBondContact O-CG 3.11Å; C338-E342 PolarHBondContact O-N 3.14Å |
| 339 | R | 70.3 | Confident | 69.6 | Low | 132 Ų | 132 | 115.4 Ų | 115.4 | 50% | 0.498 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -57.1 | -35.1 | 176.7 | -176.1 | 177.6 | -77.4 | -130 | -0.2 | 112.8 | E334 H335 E342 Q343 | E334-R339 IonicContact OE1-NH2 3.91Å; E334-R339 IonicContact OE2-CZ 3.36Å; E334-R339 IonicContact OE2-NE 3.23Å; E334-R339 PolarHBondContact OE2-NE 3.11Å; E334-R339 IonicContact OE2-NH2 2.66Å; E334-R339 PolarHBondContact OE2-NH2 2.82Å; H335-R339 PolarHBondContact O-N 3.41Å; R339-E342 WeakPolarHBondContact CA-OE2 3.5Å; R339-Q343 VanDerWaalsContact O-CG 3.31Å; R339-Q343 WeakPolarHBondContact O-CG 3.46Å; R339-Q343 PolarHBondContact O-N 3.06Å; R339-Q343 VanDerWaalsContact O-N 3.13Å |
| 340 | G | 75.4 | Confident | 72 | Confident | 36 Ų | 36 | 108.6 Ų | 108.6 | 37% | 0.371 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.7 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A336 C338 V344 | A336-G340 PolarHBondContact O-N 3.42Å; C338-G340 PolarHBondContact O-N 3.09Å; G340-V344 WeakPolarHBondContact O-CG2 3.48Å; G340-V344 PolarHBondContact O-N 3.4Å |
| 341 | L | 80.2 | Confident | 74.7 | Confident | 123 Ų | 123 | 109.9 Ų | 109.9 | 64% | 0.644 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.1 | -42.6 | 176 | -179.5 | 62.8 | 0 | 0 | 0 | 111.6 | C337 C338 Q343 V344 L345 | C337-L341 PolarHBondContact O-N 3.22Å; C338-L341 WeakPolarHBondContact O-CA 3.41Å; C338-L341 WeakPolarHBondContact O-CB 3.47Å; C338-L341 PolarHBondContact O-N 3.34Å; L341-Q343 PolarHBondContact O-N 3.37Å; L341-V344 PolarHBondContact O-N 3.28Å; L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 PolarHBondContact O-N 3.21Å |
| 342 | E | 80.3 | Confident | 76.9 | Confident | 109 Ų | 109 | 109.5 Ų | 109.5 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58 | -47.9 | 176.7 | -71.6 | 155.3 | -168.9 | 0 | 0 | 111.3 | C338 R339 V344 L345 E346 | C338-E342 WeakPolarHBondContact O-CG 3.11Å; C338-E342 PolarHBondContact O-N 3.14Å; R339-E342 WeakPolarHBondContact CA-OE2 3.5Å; E342-V344 VanDerWaalsContact C-N 3.28Å; E342-V344 PolarHBondContact O-N 3.2Å; E342-L345 PolarHBondContact O-N 3.14Å; E342-E346 VanDerWaalsContact O-CB 3.31Å; E342-E346 WeakPolarHBondContact O-CB 3.45Å; E342-E346 PolarHBondContact O-N 3.13Å |
| 343 | Q | 87.6 | Confident | 78.9 | Confident | 94 Ų | 94 | 103.4 Ų | 103.4 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.8 | -23.4 | 176.8 | -72.5 | 178.2 | 6.5 | 0 | 0 | 114.6 | R339 L341 R347 | R339-Q343 VanDerWaalsContact O-CG 3.31Å; R339-Q343 WeakPolarHBondContact O-CG 3.46Å; R339-Q343 PolarHBondContact O-N 3.06Å; R339-Q343 VanDerWaalsContact O-N 3.13Å; L341-Q343 PolarHBondContact O-N 3.37Å; Q343-R347 WeakPolarHBondContact O-CB 3.41Å; Q343-R347 PolarHBondContact O-N 3.21Å; Q343-R347 PolarHBondContact O-NH2 3.38Å |
| 344 | V | 90.6 | Very high | 81.2 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -78.7 | -44.6 | 172 | 168.6 | 0 | 0 | 0 | 0 | 109.9 | G340 L341 E342 R347 C348 | G340-V344 WeakPolarHBondContact O-CG2 3.48Å; G340-V344 PolarHBondContact O-N 3.4Å; L341-V344 PolarHBondContact O-N 3.28Å; E342-V344 VanDerWaalsContact C-N 3.28Å; E342-V344 PolarHBondContact O-N 3.2Å; V344-R347 PolarHBondContact O-N 2.91Å; V344-C348 WeakPolarHBondContact O-CB 3.39Å; V344-C348 PolarHBondContact O-N 2.82Å; V344-C348 PolarHBondContact O-SG 3.05Å; V344-C348 VanDerWaalsContact O-SG 3.35Å |
| 345 | L | 87.3 | Confident | 83.2 | Confident | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 178.2 | -176.5 | 63.5 | 0 | 0 | 0 | 111.6 | L341 E342 R347 C348 L349 | L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 PolarHBondContact O-N 3.21Å; E342-L345 PolarHBondContact O-N 3.14Å; L345-R347 VanDerWaalsContact C-N 3.31Å; L345-R347 PolarHBondContact O-N 2.77Å; L345-C348 PolarHBondContact O-N 3.3Å; L345-L349 HydrophobicContact CD1-CD1 4.28Å; L345-L349 HydrophobicContact CD1-CG 4.34Å; L345-L349 HydrophobicContact CG-CD1 3.97Å; L345-L349 HydrophobicContact CG-CG 4.45Å; L345-L349 WeakPolarHBondContact O-CB 3.46Å; L345-L349 VanDerWaalsContact O-CG 3.27Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 3.04Å |
| 346 | E | 91.4 | Very high | 84.8 | Confident | 142 Ų | 142 | 102.7 Ų | 102.7 | 66% | 0.664 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -55.9 | -44.1 | 175.6 | -177.1 | 179 | -146.6 | 0 | 0 | 111.7 | E342 L349 G350 | E342-E346 VanDerWaalsContact O-CB 3.31Å; E342-E346 WeakPolarHBondContact O-CB 3.45Å; E342-E346 PolarHBondContact O-N 3.13Å; E346-L349 PolarHBondContact O-N 3.22Å; E346-G350 PolarHBondContact O-N 3.12Å |
| 347 | R | 93.5 | Very high | 86.6 | Confident | 152 Ų | 152 | 103.4 Ų | 103.4 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 177.6 | -168.8 | -177.3 | -52.7 | 124.5 | 15.4 | 112.6 | Q343 V344 L345 E351 | Q343-R347 WeakPolarHBondContact O-CB 3.41Å; Q343-R347 PolarHBondContact O-N 3.21Å; Q343-R347 PolarHBondContact O-NH2 3.38Å; V344-R347 PolarHBondContact O-N 2.91Å; L345-R347 VanDerWaalsContact C-N 3.31Å; L345-R347 PolarHBondContact O-N 2.77Å; R347-E351 WeakPolarHBondContact O-CB 3.3Å; R347-E351 PolarHBondContact O-N 3.12Å |
| 348 | C | 89.5 | Confident | 88.3 | Confident | 76 Ų | 76 | 103.1 Ų | 103.1 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 177.1 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | V344 L345 M352 | V344-C348 WeakPolarHBondContact O-CB 3.39Å; V344-C348 PolarHBondContact O-N 2.82Å; V344-C348 PolarHBondContact O-SG 3.05Å; V344-C348 VanDerWaalsContact O-SG 3.35Å; L345-C348 PolarHBondContact O-N 3.3Å; C348-M352 WeakPolarHBondContact O-CB 3.43Å; C348-M352 PolarHBondContact O-N 3.15Å |
| 349 | L | 91.5 | Very high | 90 | Very high | 88 Ų | 88 | 104.7 Ų | 104.7 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -49.5 | 174.8 | -72.3 | 171.8 | 0 | 0 | 0 | 111.2 | L345 E346 E351 M352 E353 | L345-L349 HydrophobicContact CD1-CD1 4.28Å; L345-L349 HydrophobicContact CD1-CG 4.34Å; L345-L349 HydrophobicContact CG-CD1 3.97Å; L345-L349 HydrophobicContact CG-CG 4.45Å; L345-L349 WeakPolarHBondContact O-CB 3.46Å; L345-L349 VanDerWaalsContact O-CG 3.27Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 3.04Å; E346-L349 PolarHBondContact O-N 3.22Å; L349-E351 VanDerWaalsContact C-N 3.29Å; L349-E351 PolarHBondContact O-N 3.42Å; L349-M352 HydrophobicContact CD2-CE 3.89Å; L349-M352 PolarHBondContact O-N 3.2Å; L349-E353 WeakPolarHBondContact O-CB 3.37Å; L349-E353 PolarHBondContact O-N 2.85Å |
| 350 | G | 95.1 | Very high | 91.1 | Very high | 28 Ų | 28 | 104 Ų | 104 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -26.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E346 R354 | E346-G350 PolarHBondContact O-N 3.12Å; G350-R354 WeakPolarHBondContact O-CB 3.32Å; G350-R354 PolarHBondContact O-N 2.85Å |
| 351 | E | 95.1 | Very high | 92.1 | Very high | 88 Ų | 88 | 106.2 Ų | 106.2 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.9 | -39.8 | 170.8 | -165.8 | -178.8 | 162.1 | 0 | 0 | 112 | R347 L349 R354 R355 | R347-E351 WeakPolarHBondContact O-CB 3.3Å; R347-E351 PolarHBondContact O-N 3.12Å; L349-E351 VanDerWaalsContact C-N 3.29Å; L349-E351 PolarHBondContact O-N 3.42Å; E351-R354 PolarHBondContact O-N 2.86Å; E351-R355 VanDerWaalsContact O-CG 3.29Å; E351-R355 WeakPolarHBondContact O-CG 3.37Å; E351-R355 PolarHBondContact O-N 2.87Å; E351-R355 IonicContact OE1-CZ 3.31Å; E351-R355 VanDerWaalsContact OE1-CZ 3.31Å; E351-R355 IonicContact OE1-NE 3.15Å; E351-R355 PolarHBondContact OE1-NE 2.88Å; E351-R355 VanDerWaalsContact OE1-NE 3.15Å; E351-R355 IonicContact OE1-NH2 2.67Å; E351-R355 PolarHBondContact OE1-NH2 3.31Å |
| 352 | M | 91.8 | Very high | 92.8 | Very high | 122 Ų | 122 | 106.1 Ų | 106.1 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 174.4 | -176.8 | 177.7 | 70.1 | 0 | 0 | 111.8 | C348 L349 R355 L356 | C348-M352 WeakPolarHBondContact O-CB 3.43Å; C348-M352 PolarHBondContact O-N 3.15Å; L349-M352 HydrophobicContact CD2-CE 3.89Å; L349-M352 PolarHBondContact O-N 3.2Å; M352-R355 PolarHBondContact O-N 2.99Å; M352-L356 WeakPolarHBondContact O-CB 3.31Å; M352-L356 PolarHBondContact O-N 2.84Å |
| 353 | E | 94.5 | Very high | 93.6 | Very high | 124 Ų | 124 | 108 Ų | 108 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.1 | -48.7 | 174 | -179.9 | -179.9 | -163 | 0 | 0 | 111.2 | L349 L356 M357 | L349-E353 WeakPolarHBondContact O-CB 3.37Å; L349-E353 PolarHBondContact O-N 2.85Å; E353-L356 WeakPolarHBondContact O-CB 3.46Å; E353-L356 PolarHBondContact O-N 2.95Å; E353-M357 WeakPolarHBondContact O-CB 3.12Å; E353-M357 PolarHBondContact O-N 3.19Å |
| 354 | R | 96.4 | Very high | 94.1 | Very high | 154 Ų | 154 | 107.9 Ų | 107.9 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -46.9 | 178.1 | -166.8 | -168 | -53.3 | 167.8 | 6.6 | 112.3 | G350 E351 L356 M357 E358 | G350-R354 WeakPolarHBondContact O-CB 3.32Å; G350-R354 PolarHBondContact O-N 2.85Å; E351-R354 PolarHBondContact O-N 2.86Å; R354-L356 VanDerWaalsContact C-N 3.26Å; R354-L356 PolarHBondContact O-N 3.29Å; R354-M357 WeakPolarHBondContact O-CB 3.4Å; R354-M357 PolarHBondContact O-N 2.97Å; R354-E358 VanDerWaalsContact CD-OE1 3.27Å; R354-E358 WeakPolarHBondContact CD-OE1 3.24Å; R354-E358 HydrophobicContact CG-CG 4.38Å; R354-E358 VanDerWaalsContact CG-OE1 3.32Å; R354-E358 WeakPolarHBondContact CG-OE1 3.09Å; R354-E358 WeakPolarHBondContact O-CB 3.25Å; R354-E358 VanDerWaalsContact O-CG 3.32Å; R354-E358 WeakPolarHBondContact O-CG 3.39Å; R354-E358 PolarHBondContact O-N 3.14Å |
| 355 | R | 95.3 | Very high | 94.3 | Very high | 159 Ų | 159 | 109.5 Ų | 109.5 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -34.5 | 177.2 | -70.3 | 169.9 | 179.8 | -136.7 | 8.4 | 112 | E351 M352 H359 | E351-R355 VanDerWaalsContact O-CG 3.29Å; E351-R355 WeakPolarHBondContact O-CG 3.37Å; E351-R355 PolarHBondContact O-N 2.87Å; E351-R355 IonicContact OE1-CZ 3.31Å; E351-R355 VanDerWaalsContact OE1-CZ 3.31Å; E351-R355 IonicContact OE1-NE 3.15Å; E351-R355 PolarHBondContact OE1-NE 2.88Å; E351-R355 VanDerWaalsContact OE1-NE 3.15Å; E351-R355 IonicContact OE1-NH2 2.67Å; E351-R355 PolarHBondContact OE1-NH2 3.31Å; M352-R355 PolarHBondContact O-N 2.99Å; R355-H359 VanDerWaalsContact O-CB 3.3Å; R355-H359 WeakPolarHBondContact O-CB 3.48Å; R355-H359 PolarHBondContact O-N 2.82Å; R355-H359 VanDerWaalsContact O-N 3.11Å |
| 356 | L | 95 | Very high | 94.7 | Very high | 105 Ų | 105 | 107 Ų | 107 | 55% | 0.55 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 174.7 | 179.2 | 61.3 | 0 | 0 | 0 | 111.6 | M352 E353 R354 H359 M360 | M352-L356 WeakPolarHBondContact O-CB 3.31Å; M352-L356 PolarHBondContact O-N 2.84Å; E353-L356 WeakPolarHBondContact O-CB 3.46Å; E353-L356 PolarHBondContact O-N 2.95Å; R354-L356 VanDerWaalsContact C-N 3.26Å; R354-L356 PolarHBondContact O-N 3.29Å; L356-H359 PolarHBondContact O-N 3.36Å; L356-M360 HydrophobicContact CD1-CG 4.43Å; L356-M360 HydrophobicContact CD1-SD 4.49Å; L356-M360 HydrophobicContact CG-SD 4.5Å; L356-M360 WeakPolarHBondContact O-CB 3Å; L356-M360 WeakPolarHBondContact O-CG 3.37Å; L356-M360 PolarHBondContact O-N 3.24Å |
| 357 | M | 96 | Very high | 94.8 | Very high | 103 Ų | 103 | 105.7 Ų | 105.7 | 51% | 0.507 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -54.8 | 175.3 | -171.4 | 177.2 | -61.4 | 0 | 0 | 110.9 | E353 R354 H359 M360 D361 | E353-M357 WeakPolarHBondContact O-CB 3.12Å; E353-M357 PolarHBondContact O-N 3.19Å; R354-M357 WeakPolarHBondContact O-CB 3.4Å; R354-M357 PolarHBondContact O-N 2.97Å; M357-H359 PolarHBondContact O-N 3.21Å; M357-M360 PolarHBondContact O-N 2.7Å; M357-D361 PolarHBondContact O-N 3.1Å |
| 358 | E | 97.2 | Very high | 94.9 | Very high | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -53.6 | -39.6 | 175.9 | -71.7 | 169.3 | -171.3 | 0 | 0 | 112.3 | R354 Q362 | R354-E358 VanDerWaalsContact CD-OE1 3.27Å; R354-E358 WeakPolarHBondContact CD-OE1 3.24Å; R354-E358 HydrophobicContact CG-CG 4.38Å; R354-E358 VanDerWaalsContact CG-OE1 3.32Å; R354-E358 WeakPolarHBondContact CG-OE1 3.09Å; R354-E358 WeakPolarHBondContact O-CB 3.25Å; R354-E358 VanDerWaalsContact O-CG 3.32Å; R354-E358 WeakPolarHBondContact O-CG 3.39Å; R354-E358 PolarHBondContact O-N 3.14Å; E358-Q362 WeakPolarHBondContact O-CB 3.48Å; E358-Q362 WeakPolarHBondContact O-CG 3.4Å; E358-Q362 PolarHBondContact O-N 2.71Å; E358-Q362 PolarHBondContact O-NE2 3.44Å |
| 359 | H | 95.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 104.7 Ų | 104.7 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.9 | -33 | 177.4 | -174.9 | 65.4 | 0 | 0 | 0 | 113.6 | R355 L356 M357 R363 | R355-H359 VanDerWaalsContact O-CB 3.3Å; R355-H359 WeakPolarHBondContact O-CB 3.48Å; R355-H359 PolarHBondContact O-N 2.82Å; R355-H359 VanDerWaalsContact O-N 3.11Å; L356-H359 PolarHBondContact O-N 3.36Å; M357-H359 PolarHBondContact O-N 3.21Å; H359-R363 VanDerWaalsContact NE2-CD 3.32Å; H359-R363 WeakPolarHBondContact NE2-CD 3.39Å; H359-R363 WeakPolarHBondContact O-CB 3.09Å; H359-R363 VanDerWaalsContact O-CG 3.31Å; H359-R363 WeakPolarHBondContact O-CG 3.11Å; H359-R363 PolarHBondContact O-N 2.97Å |
| 360 | M | 94.2 | Very high | 95.3 | Very high | 118 Ų | 118 | 109.8 Ų | 109.8 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.1 | -43.9 | 173.4 | -79 | -172.6 | 58.9 | 0 | 0 | 111.3 | L356 M357 R363 L364 | L356-M360 HydrophobicContact CD1-CG 4.43Å; L356-M360 HydrophobicContact CD1-SD 4.49Å; L356-M360 HydrophobicContact CG-SD 4.5Å; L356-M360 WeakPolarHBondContact O-CB 3Å; L356-M360 WeakPolarHBondContact O-CG 3.37Å; L356-M360 PolarHBondContact O-N 3.24Å; M357-M360 PolarHBondContact O-N 2.7Å; M360-R363 PolarHBondContact O-N 2.93Å; M360-L364 WeakPolarHBondContact O-CB 3.23Å; M360-L364 PolarHBondContact O-N 3.12Å |
| 361 | D | 95.9 | Very high | 95.2 | Very high | 82 Ų | 82 | 113.8 Ų | 113.8 | 44% | 0.439 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 178.1 | -64.9 | -25 | 0 | 0 | 0 | 110.8 | M357 R363 L364 D365 | M357-D361 PolarHBondContact O-N 3.1Å; D361-R363 PolarHBondContact O-N 3.02Å; D361-L364 WeakPolarHBondContact O-CA 3.43Å; D361-L364 WeakPolarHBondContact O-CB 3.15Å; D361-L364 PolarHBondContact O-N 2.79Å; D361-D365 PolarHBondContact O-N 3.12Å |
| 362 | Q | 95.4 | Very high | 95.1 | Very high | 122 Ų | 122 | 113.6 Ų | 113.6 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -55.7 | -36.1 | 174.1 | -74.8 | 167.3 | 30.7 | 0 | 0 | 113.1 | E358 A366 | E358-Q362 WeakPolarHBondContact O-CB 3.48Å; E358-Q362 WeakPolarHBondContact O-CG 3.4Å; E358-Q362 PolarHBondContact O-N 2.71Å; E358-Q362 PolarHBondContact O-NE2 3.44Å; Q362-A366 VanDerWaalsContact O-CB 3.22Å; Q362-A366 WeakPolarHBondContact O-CB 3.46Å; Q362-A366 PolarHBondContact O-N 3.17Å; Q362-A366 VanDerWaalsContact O-N 3.09Å |
| 363 | R | 96.7 | Very high | 95.1 | Very high | 147 Ų | 147 | 110.7 Ų | 110.7 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -74.5 | -34.3 | 175.5 | -78.9 | -178.8 | 59.1 | -167.9 | -5.1 | 112.4 | H359 M360 D361 M367 | H359-R363 VanDerWaalsContact NE2-CD 3.32Å; H359-R363 WeakPolarHBondContact NE2-CD 3.39Å; H359-R363 WeakPolarHBondContact O-CB 3.09Å; H359-R363 VanDerWaalsContact O-CG 3.31Å; H359-R363 WeakPolarHBondContact O-CG 3.11Å; H359-R363 PolarHBondContact O-N 2.97Å; M360-R363 PolarHBondContact O-N 2.93Å; D361-R363 PolarHBondContact O-N 3.02Å; R363-M367 VanDerWaalsContact O-CG 3.28Å; R363-M367 WeakPolarHBondContact O-CG 3.44Å; R363-M367 PolarHBondContact O-N 2.89Å |
| 364 | L | 97 | Very high | 94.9 | Very high | 93 Ų | 93 | 107 Ų | 107 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -49.1 | 176.3 | -166.8 | 155 | 0 | 0 | 0 | 110.2 | M360 D361 A366 M367 Q368 | M360-L364 WeakPolarHBondContact O-CB 3.23Å; M360-L364 PolarHBondContact O-N 3.12Å; D361-L364 WeakPolarHBondContact O-CA 3.43Å; D361-L364 WeakPolarHBondContact O-CB 3.15Å; D361-L364 PolarHBondContact O-N 2.79Å; L364-A366 VanDerWaalsContact C-N 3.34Å; L364-A366 PolarHBondContact O-N 2.72Å; L364-M367 CarbonylContact O-C 3.56Å; L364-M367 PolarHBondContact O-N 3Å; L364-Q368 PolarHBondContact O-N 3.44Å |
| 365 | D | 96.3 | Very high | 94.5 | Very high | 104 Ų | 104 | 104 Ų | 104 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -55.6 | -46.9 | 173.3 | -72.8 | -20.1 | 0 | 0 | 0 | 111.6 | D361 M367 Q368 L369 | D361-D365 PolarHBondContact O-N 3.12Å; D365-M367 VanDerWaalsContact C-N 3.28Å; D365-M367 PolarHBondContact O-N 3.36Å; D365-Q368 PolarHBondContact O-N 3.22Å; D365-L369 WeakPolarHBondContact O-CB 3.37Å; D365-L369 PolarHBondContact O-N 2.87Å |
| 366 | A | 95 | Very high | 94.2 | Very high | 50 Ų | 50 | 102.2 Ų | 102.2 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -28.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q362 L364 R370 | Q362-A366 VanDerWaalsContact O-CB 3.22Å; Q362-A366 WeakPolarHBondContact O-CB 3.46Å; Q362-A366 PolarHBondContact O-N 3.17Å; Q362-A366 VanDerWaalsContact O-N 3.09Å; L364-A366 VanDerWaalsContact C-N 3.34Å; L364-A366 PolarHBondContact O-N 2.72Å; A366-R370 WeakPolarHBondContact O-CB 3.43Å; A366-R370 WeakPolarHBondContact O-CD 3.44Å; A366-R370 WeakPolarHBondContact O-CG 3.31Å; A366-R370 PolarHBondContact O-N 3.18Å |
| 367 | M | 94.3 | Very high | 93.5 | Very high | 115 Ų | 115 | 103.4 Ų | 103.4 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -77.7 | -41.4 | 171.7 | -74 | -174.6 | -56.6 | 0 | 0 | 111.9 | R363 L364 D365 R370 L371 | R363-M367 VanDerWaalsContact O-CG 3.28Å; R363-M367 WeakPolarHBondContact O-CG 3.44Å; R363-M367 PolarHBondContact O-N 2.89Å; L364-M367 CarbonylContact O-C 3.56Å; L364-M367 PolarHBondContact O-N 3Å; D365-M367 VanDerWaalsContact C-N 3.28Å; D365-M367 PolarHBondContact O-N 3.36Å; M367-R370 PolarHBondContact O-N 2.68Å; M367-L371 PolarHBondContact O-N 3.03Å |
| 368 | Q | 94.6 | Very high | 92.6 | Very high | 96 Ų | 96 | 102.8 Ų | 102.8 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 176.8 | 177.7 | 172.2 | -27.1 | 0 | 0 | 111 | L364 D365 R370 L371 E372 | L364-Q368 PolarHBondContact O-N 3.44Å; D365-Q368 PolarHBondContact O-N 3.22Å; Q368-R370 VanDerWaalsContact C-N 3.25Å; Q368-R370 PolarHBondContact O-N 3.05Å; Q368-L371 WeakPolarHBondContact O-CA 3.38Å; Q368-L371 WeakPolarHBondContact O-CB 3.49Å; Q368-L371 PolarHBondContact O-N 3.22Å; Q368-E372 HydrophobicContact CG-CG 4.33Å; Q368-E372 VanDerWaalsContact CG-OE1 3.31Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.4Å; Q368-E372 PolarHBondContact NE2-OE1 3Å; Q368-E372 WeakPolarHBondContact O-CG 3.4Å; Q368-E372 PolarHBondContact O-N 2.82Å |
| 369 | L | 94.9 | Very high | 91.5 | Very high | 110 Ų | 110 | 105 Ų | 105 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.5 | -35.1 | 178.1 | -176.6 | 63.4 | 0 | 0 | 0 | 112.1 | D365 T373 | D365-L369 WeakPolarHBondContact O-CB 3.37Å; D365-L369 PolarHBondContact O-N 2.87Å; L369-T373 VanDerWaalsContact O-CB 3.25Å; L369-T373 WeakPolarHBondContact O-CB 3.31Å; L369-T373 PolarHBondContact O-N 3.25Å; L369-T373 PolarHBondContact O-OG1 3.39Å |
| 370 | R | 94.4 | Very high | 90 | Very high | 195 Ų | 195 | 103.9 Ų | 103.9 | 74% | 0.736 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 172.5 | -79.2 | 174.3 | 175.6 | -163.7 | -1.5 | 112.3 | A366 M367 Q368 A374 | A366-R370 WeakPolarHBondContact O-CB 3.43Å; A366-R370 WeakPolarHBondContact O-CD 3.44Å; A366-R370 WeakPolarHBondContact O-CG 3.31Å; A366-R370 PolarHBondContact O-N 3.18Å; M367-R370 PolarHBondContact O-N 2.68Å; Q368-R370 VanDerWaalsContact C-N 3.25Å; Q368-R370 PolarHBondContact O-N 3.05Å; R370-A374 WeakPolarHBondContact O-CB 3.09Å; R370-A374 PolarHBondContact O-N 2.84Å |
| 371 | L | 93.7 | Very high | 88.3 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 59% | 0.586 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.8 | -48 | 176.2 | -169.3 | 99.7 | 0 | 0 | 0 | 111.1 | M367 Q368 T373 A374 L375 | M367-L371 PolarHBondContact O-N 3.03Å; Q368-L371 WeakPolarHBondContact O-CA 3.38Å; Q368-L371 WeakPolarHBondContact O-CB 3.49Å; Q368-L371 PolarHBondContact O-N 3.22Å; L371-T373 VanDerWaalsContact C-N 3.35Å; L371-T373 PolarHBondContact O-N 3.41Å; L371-A374 PolarHBondContact O-N 3.18Å; L371-L375 HydrophobicContact CD2-CD1 3.97Å; L371-L375 HydrophobicContact CG-CD1 4.12Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.45Å; L371-L375 PolarHBondContact O-N 3.5Å |
| 372 | E | 93.6 | Very high | 86.4 | Confident | 84 Ų | 84 | 105 Ų | 105 | 39% | 0.393 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 175.8 | -71.3 | 175.8 | -170.7 | 0 | 0 | 111.4 | Q368 A374 L375 L376 | Q368-E372 HydrophobicContact CG-CG 4.33Å; Q368-E372 VanDerWaalsContact CG-OE1 3.31Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.4Å; Q368-E372 PolarHBondContact NE2-OE1 3Å; Q368-E372 WeakPolarHBondContact O-CG 3.4Å; Q368-E372 PolarHBondContact O-N 2.82Å; E372-A374 PolarHBondContact O-N 3.42Å; E372-L375 PolarHBondContact O-N 2.92Å; E372-L376 WeakPolarHBondContact O-CB 3.44Å; E372-L376 VanDerWaalsContact O-CG 3.3Å; E372-L376 WeakPolarHBondContact O-CG 3.4Å; E372-L376 PolarHBondContact O-N 2.86Å |
| 373 | T | 91.4 | Very high | 84.4 | Confident | 61 Ų | 61 | 106.5 Ų | 106.5 | 37% | 0.374 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.3 | -44.7 | 175 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | L369 L371 L376 Q377 | L369-T373 VanDerWaalsContact O-CB 3.25Å; L369-T373 WeakPolarHBondContact O-CB 3.31Å; L369-T373 PolarHBondContact O-N 3.25Å; L369-T373 PolarHBondContact O-OG1 3.39Å; L371-T373 VanDerWaalsContact C-N 3.35Å; L371-T373 PolarHBondContact O-N 3.41Å; T373-L376 PolarHBondContact O-N 3.29Å; T373-Q377 WeakPolarHBondContact O-CB 3.24Å; T373-Q377 VanDerWaalsContact O-CG 3.26Å; T373-Q377 WeakPolarHBondContact O-CG 3.3Å; T373-Q377 PolarHBondContact O-N 2.74Å |
| 374 | A | 89.3 | Confident | 82 | Confident | 48 Ų | 48 | 106 Ų | 106 | 40% | 0.397 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.3 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R370 L371 E372 Q377 T378 | R370-A374 WeakPolarHBondContact O-CB 3.09Å; R370-A374 PolarHBondContact O-N 2.84Å; L371-A374 PolarHBondContact O-N 3.18Å; E372-A374 PolarHBondContact O-N 3.42Å; A374-Q377 PolarHBondContact O-N 2.89Å; A374-T378 WeakPolarHBondContact O-CG2 3.21Å; A374-T378 PolarHBondContact O-N 3.27Å; A374-T378 PolarHBondContact O-OG1 3.06Å |
| 375 | L | 88.9 | Confident | 79.8 | Confident | 90 Ų | 90 | 110.7 Ų | 110.7 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -45.3 | 174.4 | -73.8 | 169.8 | 0 | 0 | 0 | 111.4 | L371 E372 Q377 T378 L379 | L371-L375 HydrophobicContact CD2-CD1 3.97Å; L371-L375 HydrophobicContact CG-CD1 4.12Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.45Å; L371-L375 PolarHBondContact O-N 3.5Å; E372-L375 PolarHBondContact O-N 2.92Å; L375-Q377 VanDerWaalsContact C-N 3.31Å; L375-Q377 PolarHBondContact O-N 3.26Å; L375-T378 PolarHBondContact O-N 3.05Å; L375-T378 PolarHBondContact O-OG1 2.79Å; L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 WeakPolarHBondContact O-CD1 3.34Å; L375-L379 WeakPolarHBondContact O-CG 3.02Å; L375-L379 PolarHBondContact O-N 3.1Å |
| 376 | L | 87.9 | Confident | 77.4 | Confident | 121 Ų | 121 | 112.8 Ų | 112.8 | 63% | 0.634 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.2 | -37.3 | 175.4 | -72.9 | 170.4 | 0 | 0 | 0 | 111.7 | E372 T373 A380 | E372-L376 WeakPolarHBondContact O-CB 3.44Å; E372-L376 VanDerWaalsContact O-CG 3.3Å; E372-L376 WeakPolarHBondContact O-CG 3.4Å; E372-L376 PolarHBondContact O-N 2.86Å; T373-L376 PolarHBondContact O-N 3.29Å; L376-A380 WeakPolarHBondContact O-CB 3.33Å; L376-A380 PolarHBondContact O-N 2.87Å |
| 377 | Q | 81.7 | Confident | 75 | Confident | 131 Ų | 131 | 119.5 Ų | 119.5 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.1 | -38.4 | 174.5 | -75.5 | 173.5 | 3.2 | 0 | 0 | 112.8 | T373 A374 L375 | T373-Q377 WeakPolarHBondContact O-CB 3.24Å; T373-Q377 VanDerWaalsContact O-CG 3.26Å; T373-Q377 WeakPolarHBondContact O-CG 3.3Å; T373-Q377 PolarHBondContact O-N 2.74Å; A374-Q377 PolarHBondContact O-N 2.89Å; L375-Q377 VanDerWaalsContact C-N 3.31Å; L375-Q377 PolarHBondContact O-N 3.26Å |
| 378 | T | 75.9 | Confident | 72.2 | Confident | 90 Ų | 90 | 120.4 Ų | 120.4 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.8 | -33.8 | 175.6 | 56 | 0 | 0 | 0 | 0 | 113 | A374 L375 | A374-T378 WeakPolarHBondContact O-CG2 3.21Å; A374-T378 PolarHBondContact O-N 3.27Å; A374-T378 PolarHBondContact O-OG1 3.06Å; L375-T378 PolarHBondContact O-N 3.05Å; L375-T378 PolarHBondContact O-OG1 2.79Å |
| 379 | L | 75.3 | Confident | 69.5 | Low | 139 Ų | 139 | 122.2 Ų | 122.2 | 73% | 0.728 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.6 | -25.5 | 174.1 | -79.5 | 157.2 | 0 | 0 | 0 | 113.4 | L375 L381 | L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 WeakPolarHBondContact O-CD1 3.34Å; L375-L379 WeakPolarHBondContact O-CG 3.02Å; L375-L379 PolarHBondContact O-N 3.1Å; L379-L381 VanDerWaalsContact C-N 3.29Å; L379-L381 PolarHBondContact O-N 3.16Å |
| 380 | A | 64 | Low | 66.6 | Low | 73 Ų | 73 | 121.2 Ų | 121.2 | 60% | 0.603 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -2.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L376 P382 | L376-A380 WeakPolarHBondContact O-CB 3.33Å; L376-A380 PolarHBondContact O-N 2.87Å; A380-P382 WeakPolarHBondContact O-CD 3.46Å |
| 381 | L | 58.4 | Low | 64.2 | Low | 132 Ų | 132 | 117.9 Ų | 117.9 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | trans | -76.6 | 112.3 | 172.2 | -71.8 | 170.4 | 0 | 0 | 0 | 110.4 | L379 | L379-L381 VanDerWaalsContact C-N 3.29Å; L379-L381 PolarHBondContact O-N 3.16Å | ||
| 382 | P | 55 | Low | 61.4 | Low | 92 Ų | 92 | 119.3 Ų | 119.3 | 60% | 0.597 | 67% | 0.673 | S | S | * | * | trans | -75.5 | 159.3 | -179.9 | -14 | 31.8 | 0 | 0 | 0 | 112.3 | A380 N384 | A380-P382 WeakPolarHBondContact O-CD 3.46Å; P382-N384 PolarHBondContact O-N 2.84Å | ||
| 383 | L | 54.8 | Low | 59 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | trans | -65.2 | 66.9 | 173.6 | -87.6 | 158 | 0 | 0 | 0 | 113.3 | H385 | L383-H385 VanDerWaalsContact C-N 3.26Å; L383-H385 PolarHBondContact O-N 3.41Å | ||
| 384 | N | 46.6 | Very low | 56.4 | Low | 138 Ų | 138 | 124.8 Ų | 124.8 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -1.7 | -179.7 | -73.9 | -12.2 | 0 | 0 | 0 | 114.2 | P382 | P382-N384 PolarHBondContact O-N 2.84Š|
| 385 | H | 49.2 | Very low | 53.8 | Low | 190 Ų | 190 | 131.1 Ų | 131.1 | 88% | 0.88 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 7.5 | 177.3 | -73.2 | -58.8 | 0 | 0 | 0 | 114.8 | L383 | L383-H385 VanDerWaalsContact C-N 3.26Å; L383-H385 PolarHBondContact O-N 3.41Å |
| 386 | L | 47.1 | Very low | 52.1 | Low | 149 Ų | 149 | 131.2 Ų | 131.2 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -123.1 | 50.4 | -175.3 | -151.2 | 77.3 | 0 | 0 | 0 | 114.9 | ||
| 387 | K | 43.9 | Very low | 49.6 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | -154.4 | 142.2 | 161.1 | -147.3 | 163.9 | -172.5 | 172.2 | 0 | 112.2 | ||||
| 388 | T | 36.4 | Very low | 47.2 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 77.7 | 119.6 | -178.5 | -34.6 | 0 | 0 | 0 | 0 | 112 | ||
| 389 | T | 36.7 | Very low | 45.5 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | cis | -121.8 | 165.4 | 6.1 | 43.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 390 | A | 34.1 | Very low | 43.8 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -94.2 | 158.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 391 | P | 45.5 | Very low | 42.8 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -88 | 157.3 | -179.7 | 35.5 | -35.8 | 0 | 0 | 0 | 113.8 | ||||
| 392 | T | 34 | Very low | 42 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -141.1 | 156.9 | 162.6 | 25.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 393 | P | 43.5 | Very low | 41.3 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | trans | -106.4 | 175.4 | -148 | 40.4 | -37.2 | 0 | 0 | 0 | 116.6 | ||||
| 394 | D | 36.2 | Very low | 40.5 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -3.1 | 143.9 | 157.7 | -56.1 | -58.7 | 0 | 0 | 0 | 118.2 | ||||
| 395 | Q | 35 | Very low | 40.1 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | -166.6 | -150.9 | 52.4 | -147.6 | -165.7 | 1 | 0 | 0 | 111.8 | |||||
| 396 | P | 53.8 | Low | 39.5 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 59% | 0.591 | 82% | 0.82 | S | S | * | * | -127.2 | -170.7 | -123.6 | 45.8 | -27.9 | 0 | 0 | 0 | 117.5 | |||||
| 397 | Q | 34.1 | Very low | 38.9 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | 73.1 | 159.2 | 167.4 | -62.4 | 177.8 | -10.8 | 0 | 0 | 115.4 | ||||
| 398 | A | 32.7 | Very low | 38.6 | Very low | 91 Ų | 91 | 142.7 Ų | 142.7 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | cis | -139.5 | -179.2 | 7.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 399 | L | 39.1 | Very low | 38.7 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -60.8 | 148.5 | 169.2 | -50.6 | 102.5 | 0 | 0 | 0 | 112 | ||||
| 400 | H | 40.3 | Very low | 38.9 | Very low | 255 Ų | 255 | 144.2 Ų | 144.2 | 100% | 1.181 | 82% | 0.822 | S | S | * | * | -157 | 0 | 101.9 | -137.4 | -54.5 | 0 | 0 | 0 | 113.7 |
Retrieved 400 of 400 residues in 86.2 ms
(Link to these results)