| 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 | 34 | Very low | 43.7 | Very low | 243 Ų | 243 | 143.8 Ų | 143.8 | 100% | 1.197 | 77% | 0.768 | S | S | * | * | 0 | 98.2 | 0 | -79.1 | 171.5 | 174.5 | 0 | 0 | 107.7 | |||||
| 2 | V | 29.9 | Very low | 47 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -92.2 | 121.9 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 106.1 | N4 | V2-N4 PolarHBondContact O-N 3.29Š| ||
| 3 | P | 37.3 | Very low | 50 | Low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -74.4 | 117.5 | 176.8 | 25.1 | -23.7 | 0 | 0 | 0 | 109.4 | Y5 | P3-Y5 PolarHBondContact O-N 3.32Š| ||
| 4 | N | 32.7 | Very low | 52.4 | Low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | trans | -63.5 | 107.4 | 168.6 | -116.8 | -2.6 | 0 | 0 | 0 | 108.9 | V2 S6 | V2-N4 PolarHBondContact O-N 3.29Å; N4-S6 PolarHBondContact O-N 2.84Å | ||
| 5 | Y | 35 | Very low | 54.3 | Low | 212 Ų | 212 | 138.3 Ų | 138.3 | 83% | 0.831 | 70% | 0.698 | S | S | * | * | trans | -94.2 | 71.7 | 165.2 | -123.6 | -85.4 | 0 | 0 | 0 | 108.6 | P3 T7 | P3-Y5 PolarHBondContact O-N 3.32Å; Y5-T7 PolarHBondContact O-N 3.18Å | ||
| 6 | S | 37 | Very low | 55.8 | Low | 91 Ų | 91 | 132.4 Ų | 132.4 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | trans | -94.8 | 81.9 | 168.8 | 56.9 | 0 | 0 | 0 | 0 | 109 | N4 | N4-S6 PolarHBondContact O-N 2.84Š| ||
| 7 | T | 37 | Very low | 56.9 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 68% | 0.678 | S | S | * | * | trans | -106.7 | 61 | 157.2 | 48.6 | 0 | 0 | 0 | 0 | 108.5 | Y5 E9 | Y5-T7 PolarHBondContact O-N 3.18Å; T7-E9 PolarHBondContact O-N 2.93Å | ||
| 8 | E | 43.1 | Very low | 58.1 | Low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | -74.3 | 103.7 | 153.9 | -79.8 | -176.9 | 158.5 | 0 | 0 | 106.3 | T10 | E8-T10 VanDerWaalsContact C-N 3.3Å; E8-T10 PolarHBondContact O-N 3.19Å | ||
| 9 | E | 52 | Low | 59 | Low | 157 Ų | 157 | 123.1 Ų | 123.1 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | trans | -53 | 103.3 | 158.6 | -81.3 | -175 | 150.3 | 0 | 0 | 106.7 | T7 V11 | T7-E9 PolarHBondContact O-N 2.93Å; E9-V11 PolarHBondContact O-N 3.1Å | ||
| 10 | T | 64.8 | Low | 60 | Low | 129 Ų | 129 | 122.5 Ų | 122.5 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -58 | 114.5 | 179.4 | 24.9 | 0 | 0 | 0 | 0 | 108.3 | E8 K12 | E8-T10 VanDerWaalsContact C-N 3.3Å; E8-T10 PolarHBondContact O-N 3.19Å; T10-K12 PolarHBondContact O-N 2.85Å; T10-K12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | V | 77.8 | Confident | 61 | Low | 59 Ų | 59 | 117.4 Ų | 117.4 | 36% | 0.358 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 121 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | E9 R13 I169 F171 | E9-V11 PolarHBondContact O-N 3.1Å; V11-R13 PolarHBondContact O-N 3.2Å; V11-I169 HydrophobicContact CG1-CG1 4.3Å; V11-I169 HydrophobicContact CG2-CD1 3.71Å; V11-I169 HydrophobicContact CG2-CG1 4.24Å; V11-F171 HydrophobicContact CG1-CB 4.02Å |
| 12 | K | 84.1 | Confident | 63.2 | Low | 95 Ų | 95 | 105.9 Ų | 105.9 | 41% | 0.413 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.2 | 135 | 179.9 | -77.2 | -167.4 | 173.4 | -153.4 | 0 | 110.2 | T10 F170 F171 D185 | T10-K12 PolarHBondContact O-N 2.85Å; T10-K12 VanDerWaalsContact O-N 3.13Å; K12-F170 HydrophobicContact CB-CD1 3.88Å; K12-F170 HydrophobicContact CB-CE1 4.04Å; K12-F170 HydrophobicContact CD-CE1 4.46Å; K12-F170 WeakPolarHBondContact O-CA 3.49Å; K12-F171 PolarHBondContact O-N 3.38Å; K12-D185 IonicContact NZ-OD1 3.69Å |
| 13 | R | 85.1 | Confident | 65.9 | Low | 173 Ų | 173 | 102.2 Ų | 102.2 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 139.6 | 176.8 | -54.4 | -167.2 | -172.9 | -161.2 | -1.6 | 110.2 | V11 F171 E173 | V11-R13 PolarHBondContact O-N 3.2Å; R13-F171 CarbonylContact C-O 3.26Å; R13-F171 VanDerWaalsContact CA-O 3.31Å; R13-F171 WeakPolarHBondContact CA-O 3.42Å; R13-F171 HydrophobicContact CG-CB 4.4Å; R13-F171 HydrophobicContact CG-CD1 4.31Å; R13-E173 HydrophobicContact CB-CG 3.98Å; R13-E173 WeakPolarHBondContact CD-OE1 3.25Å; R13-E173 IonicContact NH1-OE1 2.97Å; R13-E173 PolarHBondContact NH1-OE1 2.84Å |
| 14 | I | 83.9 | Confident | 68.4 | Low | 59 Ų | 59 | 99.4 Ų | 99.4 | 30% | 0.303 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152.2 | 180 | 63.5 | 173.5 | 0 | 0 | 0 | 110.4 | F170 F171 A172 E173 V179 | I14-F170 HydrophobicContact CD1-CB 3.59Å; I14-F170 HydrophobicContact CD1-CG 4.01Å; I14-F170 HydrophobicContact CG1-CB 3.91Å; I14-F170 HydrophobicContact CG2-CB 4.27Å; I14-F170 HydrophobicContact CG2-CD1 3.66Å; I14-F170 HydrophobicContact CG2-CE1 4.38Å; I14-F170 HydrophobicContact CG2-CG 4.16Å; I14-F171 PolarHBondContact N-O 3.07Å; I14-A172 HydrophobicContact CG1-CB 4.45Å; I14-A172 WeakPolarHBondContact O-CA 3.48Å; I14-E173 PolarHBondContact O-N 3.25Å; I14-V179 HydrophobicContact CD1-CG2 4.44Å |
| 15 | Y | 80.6 | Confident | 71.2 | Confident | 165 Ų | 165 | 96.8 Ų | 96.8 | 65% | 0.647 | 49% | 0.494 | S | S | * | . | trans | -105.1 | 134.4 | 167.9 | -163 | -89.9 | 0 | 0 | 0 | 108.7 | N174 | Y15-N174 HydrophobicContact CD2-CB 4.14Å; Y15-N174 HydrophobicContact CE2-CB 3.72Å | ||
| 16 | V | 78.9 | Confident | 74 | Confident | 45 Ų | 45 | 91.1 Ų | 91.1 | 27% | 0.273 | 47% | 0.472 | S | S | . | . | trans | -100.6 | 122.6 | -178.2 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | A172 N174 L175 | V16-A172 HydrophobicContact CG2-CB 4.1Å; V16-N174 PolarHBondContact O-ND2 2.98Å; V16-L175 HydrophobicContact CB-CD1 4.46Å; V16-L175 HydrophobicContact CG2-CD1 4.18Å | ||
| 17 | D | 74.3 | Confident | 76.8 | Confident | 147 Ų | 147 | 86.8 Ų | 86.8 | 79% | 0.786 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -66.8 | -41.3 | -172.6 | -62.4 | -39.6 | 0 | 0 | 0 | 113.8 | P19 | D17-P19 WeakPolarHBondContact O-CD 3.21Š|
| 18 | C | 78.3 | Confident | 79.5 | Confident | 29 Ų | 29 | 82.4 Ų | 82.4 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -118.3 | 79.6 | 173.8 | -46.8 | 0 | 0 | 0 | 0 | 109.5 | V20 S21 C274 | C18-V20 VanDerWaalsContact C-N 3.28Å; C18-V20 PolarHBondContact O-N 2.92Å; C18-S21 WeakPolarHBondContact O-CB 3.48Å; C18-S21 PolarHBondContact O-N 3.22Å; C18-C274 HydrophobicContact CB-CB 4.17Å; C18-C274 WeakPolarHBondContact CB-SG 3.22Å; C18-C274 WeakPolarHBondContact SG-CB 3.09Å; C18-C274 CovalentContact SG-SG 2.09Å; C18-C274 PolarHBondContact SG-SG 3.34Å |
| 19 | P | 74.9 | Confident | 82 | Confident | 43 Ų | 43 | 78.8 Ų | 78.8 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.5 | -168 | 25.7 | -33.7 | 0 | 0 | 0 | 115.2 | D17 R23 L175 | D17-P19 WeakPolarHBondContact O-CD 3.21Å; P19-R23 WeakPolarHBondContact O-CD 3.35Å; P19-L175 HydrophobicContact CB-CD1 4.28Å; P19-L175 HydrophobicContact CB-CD2 4.08Å; P19-L175 HydrophobicContact CB-CG 4.23Å |
| 20 | V | 79.4 | Confident | 84.1 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 67% | 0.673 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -13 | 179.7 | -169.2 | 0 | 0 | 0 | 0 | 111.9 | C18 G22 R23 | C18-V20 VanDerWaalsContact C-N 3.28Å; C18-V20 PolarHBondContact O-N 2.92Å; V20-G22 PolarHBondContact O-N 3.45Å; V20-R23 PolarHBondContact O-N 3.4Å |
| 21 | S | 80.8 | Confident | 85.5 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 11% | 0.112 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 126.1 | -175 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | C18 R23 T277 D278 D281 | C18-S21 WeakPolarHBondContact O-CB 3.48Å; C18-S21 PolarHBondContact O-N 3.22Å; S21-R23 PolarHBondContact O-N 3.21Å; S21-R23 VanDerWaalsContact O-N 3.17Å; S21-T277 PolarHBondContact OG-O 2.89Å; S21-D278 WeakPolarHBondContact CA-OD1 3.42Å; S21-D278 WeakPolarHBondContact OG-CA 3.4Å; S21-D278 PolarHBondContact OG-N 3.43Å; S21-D281 WeakPolarHBondContact CB-OD2 3.25Å; S21-D281 WeakPolarHBondContact OG-CB 3.27Å; S21-D281 PolarHBondContact OG-OD2 2.98Å |
| 22 | G | 80.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 12.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V20 I27 Y92 D278 | V20-G22 PolarHBondContact O-N 3.45Å; G22-I27 WeakPolarHBondContact O-CD1 3.24Å; G22-Y92 WeakPolarHBondContact O-CE2 3.38Å; G22-Y92 PolarHBondContact O-OH 3.49Å; G22-D278 PolarHBondContact N-OD1 3.27Å |
| 23 | R | 86.3 | Confident | 87 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | trans | -102.8 | 81.2 | -178.4 | -65.7 | -173.4 | 85.5 | 117.8 | 3.1 | 111.2 | P19 V20 S21 Y28 E91 Y92 L175 M177 | P19-R23 WeakPolarHBondContact O-CD 3.35Å; V20-R23 PolarHBondContact O-N 3.4Å; S21-R23 PolarHBondContact O-N 3.21Å; S21-R23 VanDerWaalsContact O-N 3.17Å; R23-Y28 VanDerWaalsContact CA-OH 3.24Å; R23-Y28 WeakPolarHBondContact CA-OH 3.46Å; R23-Y28 WeakPolarHBondContact CB-OH 3.41Å; R23-Y28 WeakPolarHBondContact CG-OH 3.06Å; R23-E91 PolarHBondContact NH2-O 3.12Å; R23-E91 VanDerWaalsContact NH2-O 3.08Å; R23-Y92 HydrophobicContact CG-CD2 4.38Å; R23-Y92 HydrophobicContact CG-CE2 4.39Å; R23-L175 VanDerWaalsContact NH1-CD1 3.31Å; R23-M177 PolarHBondContact NH1-SD 2.93Å; R23-M177 PolarHBondContact NH2-SD 3.12Å | ||
| 24 | H | 89.9 | Confident | 87.5 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 25% | 0.25 | 33% | 0.328 | C | S | . | . | trans | -122.1 | 139.5 | 179.2 | -55.4 | -75 | 0 | 0 | 0 | 112.5 | Y26 I27 Y28 D278 T282 | H24-Y26 HydrophobicContact CB-CD1 3.55Å; H24-Y26 HydrophobicContact CB-CE1 3.15Å; H24-Y26 HydrophobicContact CB-CG 4.37Å; H24-Y26 AromaticContact CD2-CZ 4Å; H24-Y26 PolarHBondContact CD2-OH 3.02Å; H24-Y26 AromaticContact CG-CE1 3.54Å; H24-Y26 AromaticContact CG-CZ 3.92Å; H24-Y26 PolarHBondContact O-N 2.92Å; H24-I27 HydrophobicContact CB-CD1 4.06Å; H24-I27 HydrophobicContact CB-CG1 4.13Å; H24-I27 WeakPolarHBondContact O-CB 3.39Å; H24-I27 PolarHBondContact O-N 3.27Å; H24-Y28 PolarHBondContact O-N 3.32Å; H24-D278 IonicContact NE2-OD1 2.74Å; H24-T282 PolarHBondContact CD2-OG1 3.42Å; H24-T282 PolarHBondContact NE2-OG1 3.25Å | ||
| 25 | S | 92.1 | Very high | 88.1 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 67% | 0.671 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -55.4 | -36.8 | -178.3 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | I27 Y28 V29 | S25-I27 VanDerWaalsContact C-N 3.31Å; S25-I27 PolarHBondContact O-N 3.07Å; S25-Y28 PolarHBondContact O-N 3.44Å; S25-V29 PolarHBondContact O-N 3.08Å |
| 26 | Y | 94 | Very high | 88.8 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 37% | 0.365 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67 | -30.8 | 177.7 | 67.2 | -93.9 | 0 | 0 | 0 | 112.7 | H24 V29 M30 T282 F286 | H24-Y26 HydrophobicContact CB-CD1 3.55Å; H24-Y26 HydrophobicContact CB-CE1 3.15Å; H24-Y26 HydrophobicContact CB-CG 4.37Å; H24-Y26 AromaticContact CD2-CZ 4Å; H24-Y26 PolarHBondContact CD2-OH 3.02Å; H24-Y26 AromaticContact CG-CE1 3.54Å; H24-Y26 AromaticContact CG-CZ 3.92Å; H24-Y26 PolarHBondContact O-N 2.92Å; Y26-V29 PolarHBondContact O-N 3.35Å; Y26-M30 HydrophobicContact CD2-SD 4.37Å; Y26-M30 VanDerWaalsContact O-CB 3.26Å; Y26-M30 WeakPolarHBondContact O-CB 3.21Å; Y26-M30 VanDerWaalsContact O-CG 3.27Å; Y26-M30 WeakPolarHBondContact O-CG 3.26Å; Y26-M30 PolarHBondContact O-N 3.25Å; Y26-T282 VanDerWaalsContact OH-CG2 3.23Å; Y26-T282 WeakPolarHBondContact OH-CG2 3.48Å; Y26-F286 HydrophobicContact CD2-CZ 4.01Å; Y26-F286 AromaticContact CE2-CE2 3.89Å; Y26-F286 HydrophobicContact CE2-CE2 3.89Å; Y26-F286 AromaticContact CE2-CZ 3.71Å; Y26-F286 HydrophobicContact CE2-CZ 3.71Å |
| 27 | I | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 177 | -63.6 | 177.1 | 0 | 0 | 0 | 109.7 | G22 H24 S25 V29 M30 V31 P32 T88 Y92 T282 P285 F286 | G22-I27 WeakPolarHBondContact O-CD1 3.24Å; H24-I27 HydrophobicContact CB-CD1 4.06Å; H24-I27 HydrophobicContact CB-CG1 4.13Å; H24-I27 WeakPolarHBondContact O-CB 3.39Å; H24-I27 PolarHBondContact O-N 3.27Å; S25-I27 VanDerWaalsContact C-N 3.31Å; S25-I27 PolarHBondContact O-N 3.07Å; I27-V29 PolarHBondContact O-N 3Å; I27-V29 VanDerWaalsContact O-N 3.12Å; I27-M30 PolarHBondContact O-N 2.73Å; I27-V31 HydrophobicContact CG2-CB 4.35Å; I27-V31 HydrophobicContact CG2-CG2 3.76Å; I27-V31 WeakPolarHBondContact O-CB 3.1Å; I27-V31 PolarHBondContact O-N 2.8Å; I27-P32 WeakPolarHBondContact O-CD 3.36Å; I27-T88 HydrophobicContact CG2-CG2 4.16Å; I27-Y92 WeakPolarHBondContact CG2-OH 3.29Å; I27-T282 HydrophobicContact CD1-CG2 4.21Å; I27-P285 HydrophobicContact CG2-CB 4.4Å; I27-P285 HydrophobicContact CG2-CG 4.34Å; I27-F286 HydrophobicContact CD1-CE2 4.37Å; I27-F286 HydrophobicContact CG1-CE2 3.97Å; I27-F286 HydrophobicContact CG1-CZ 4.09Å |
| 28 | Y | 94.5 | Very high | 90.5 | Very high | 26 Ų | 26 | 49 Ų | 49 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -15.8 | -179.4 | -51.5 | -34.4 | 0 | 0 | 0 | 113.8 | R23 H24 S25 P32 T88 E91 Y92 | R23-Y28 VanDerWaalsContact CA-OH 3.24Å; R23-Y28 WeakPolarHBondContact CA-OH 3.46Å; R23-Y28 WeakPolarHBondContact CB-OH 3.41Å; R23-Y28 WeakPolarHBondContact CG-OH 3.06Å; H24-Y28 PolarHBondContact O-N 3.32Å; S25-Y28 PolarHBondContact O-N 3.44Å; Y28-P32 WeakPolarHBondContact O-CD 2.96Å; Y28-P32 VanDerWaalsContact O-CG 3.29Å; Y28-P32 WeakPolarHBondContact O-CG 3.29Å; Y28-T88 VanDerWaalsContact CD1-O 3.25Å; Y28-T88 WeakPolarHBondContact CD1-O 3.38Å; Y28-E91 HydrophobicContact CD2-CB 4.31Å; Y28-E91 HydrophobicContact CD2-CG 3.68Å; Y28-E91 HydrophobicContact CE1-CB 4.19Å; Y28-E91 HydrophobicContact CE2-CB 3.89Å; Y28-E91 HydrophobicContact CE2-CG 3.61Å; Y28-E91 HydrophobicContact CG-CG 4.19Å; Y28-Y92 AromaticContact CE1-CD2 3.81Å; Y28-Y92 HydrophobicContact CE1-CD2 3.81Å; Y28-Y92 AromaticContact CE1-CE2 3.59Å; Y28-Y92 HydrophobicContact CE1-CE2 3.59Å |
| 29 | V | 95.1 | Very high | 91.3 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -102.4 | -50.8 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | S25 Y26 I27 T33 | S25-V29 PolarHBondContact O-N 3.08Å; Y26-V29 PolarHBondContact O-N 3.35Å; I27-V29 PolarHBondContact O-N 3Å; I27-V29 VanDerWaalsContact O-N 3.12Å; V29-T33 WeakPolarHBondContact O-CB 3.31Å; V29-T33 PolarHBondContact O-N 3.15Å; V29-T33 PolarHBondContact O-OG1 3.02Å |
| 30 | M | 95.9 | Very high | 92.2 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 52% | 0.522 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | -173.3 | -68.5 | -176.6 | 175.9 | 0 | 0 | 112.4 | Y26 I27 T33 V34 | Y26-M30 HydrophobicContact CD2-SD 4.37Å; Y26-M30 VanDerWaalsContact O-CB 3.26Å; Y26-M30 WeakPolarHBondContact O-CB 3.21Å; Y26-M30 VanDerWaalsContact O-CG 3.27Å; Y26-M30 WeakPolarHBondContact O-CG 3.26Å; Y26-M30 PolarHBondContact O-N 3.25Å; I27-M30 PolarHBondContact O-N 2.73Å; M30-T33 WeakPolarHBondContact O-CB 3.32Å; M30-T33 PolarHBondContact O-N 2.68Å; M30-V34 WeakPolarHBondContact O-CG2 3.44Å; M30-V34 PolarHBondContact O-N 2.72Å |
| 31 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | -174.8 | 172.5 | 0 | 0 | 0 | 0 | 112 | I27 T33 V34 Y35 T88 P285 F286 | I27-V31 HydrophobicContact CG2-CB 4.35Å; I27-V31 HydrophobicContact CG2-CG2 3.76Å; I27-V31 WeakPolarHBondContact O-CB 3.1Å; I27-V31 PolarHBondContact O-N 2.8Å; V31-T33 VanDerWaalsContact C-N 3.29Å; V31-T33 PolarHBondContact O-N 3.18Å; V31-V34 PolarHBondContact O-N 3.21Å; V31-Y35 HydrophobicContact CG1-CD1 4.36Å; V31-Y35 HydrophobicContact CG1-CD2 4.02Å; V31-Y35 HydrophobicContact CG1-CE1 3.96Å; V31-Y35 HydrophobicContact CG1-CE2 3.55Å; V31-Y35 HydrophobicContact CG1-CG 4.4Å; V31-Y35 PolarHBondContact O-N 3.5Å; V31-T88 HydrophobicContact CB-CG2 3.94Å; V31-T88 HydrophobicContact CG1-CG2 3.92Å; V31-P285 HydrophobicContact CG1-CB 4.26Å; V31-P285 HydrophobicContact CG2-CB 3.73Å; V31-F286 HydrophobicContact CG2-CE1 4.33Å |
| 32 | P | 96.7 | Very high | 93.4 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 173.7 | -27.2 | 37.5 | 0 | 0 | 0 | 112.8 | I27 Y28 V34 Y35 S36 A85 T88 A89 | I27-P32 WeakPolarHBondContact O-CD 3.36Å; Y28-P32 WeakPolarHBondContact O-CD 2.96Å; Y28-P32 VanDerWaalsContact O-CG 3.29Å; Y28-P32 WeakPolarHBondContact O-CG 3.29Å; P32-V34 PolarHBondContact O-N 3.12Å; P32-Y35 PolarHBondContact O-N 3.42Å; P32-S36 PolarHBondContact O-N 3.48Å; P32-S36 PolarHBondContact O-OG 3.46Å; P32-S36 VanDerWaalsContact O-OG 3.11Å; P32-A85 HydrophobicContact CB-CB 4.31Å; P32-A85 WeakPolarHBondContact CG-O 3.36Å; P32-T88 HydrophobicContact CG-CG2 4.23Å; P32-A89 HydrophobicContact CB-CB 4.2Å; P32-A89 HydrophobicContact CG-CB 3.8Å |
| 33 | T | 96.3 | Very high | 94 | Very high | 75 Ų | 75 | 53 Ų | 53 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | V29 M30 V31 S36 I37 | V29-T33 WeakPolarHBondContact O-CB 3.31Å; V29-T33 PolarHBondContact O-N 3.15Å; V29-T33 PolarHBondContact O-OG1 3.02Å; M30-T33 WeakPolarHBondContact O-CB 3.32Å; M30-T33 PolarHBondContact O-N 2.68Å; V31-T33 VanDerWaalsContact C-N 3.29Å; V31-T33 PolarHBondContact O-N 3.18Å; T33-S36 PolarHBondContact O-N 2.87Å; T33-I37 HydrophobicContact CG2-CD1 4.23Å; T33-I37 WeakPolarHBondContact O-CG1 3.37Å; T33-I37 PolarHBondContact O-N 3.18Å |
| 34 | V | 95.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | M30 V31 P32 S36 I37 I38 C289 | M30-V34 WeakPolarHBondContact O-CG2 3.44Å; M30-V34 PolarHBondContact O-N 2.72Å; V31-V34 PolarHBondContact O-N 3.21Å; P32-V34 PolarHBondContact O-N 3.12Å; V34-S36 VanDerWaalsContact C-N 3.33Å; V34-S36 PolarHBondContact O-N 3.03Å; V34-I37 PolarHBondContact O-N 3.11Å; V34-I38 HydrophobicContact CG1-CD1 3.78Å; V34-I38 HydrophobicContact CG1-CG1 4.31Å; V34-I38 WeakPolarHBondContact O-CB 3.47Å; V34-I38 VanDerWaalsContact O-CG1 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.22Å; V34-I38 PolarHBondContact O-N 2.94Å; V34-C289 HydrophobicContact CG1-CB 3.79Å |
| 35 | Y | 95.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 174.6 | -72.8 | -7.1 | 0 | 0 | 0 | 112.6 | V31 P32 I38 F39 L81 W84 A85 I288 C289 Y292 | V31-Y35 HydrophobicContact CG1-CD1 4.36Å; V31-Y35 HydrophobicContact CG1-CD2 4.02Å; V31-Y35 HydrophobicContact CG1-CE1 3.96Å; V31-Y35 HydrophobicContact CG1-CE2 3.55Å; V31-Y35 HydrophobicContact CG1-CG 4.4Å; V31-Y35 PolarHBondContact O-N 3.5Å; P32-Y35 PolarHBondContact O-N 3.42Å; Y35-I38 PolarHBondContact O-N 2.94Å; Y35-F39 VanDerWaalsContact O-CB 3.31Å; Y35-F39 WeakPolarHBondContact O-CB 3.43Å; Y35-F39 PolarHBondContact O-N 2.86Å; Y35-L81 HydrophobicContact CD1-CD1 4.04Å; Y35-L81 HydrophobicContact CD2-CD1 4.12Å; Y35-L81 HydrophobicContact CE1-CD1 4.45Å; Y35-L81 HydrophobicContact CG-CD1 3.86Å; Y35-L81 HydrophobicContact CG-CG 4.3Å; Y35-L81 WeakPolarHBondContact O-CD2 3.49Å; Y35-W84 HydrophobicContact CD2-CB 4.14Å; Y35-W84 HydrophobicContact CE2-CB 3.9Å; Y35-A85 HydrophobicContact CD2-CB 4.18Å; Y35-I288 HydrophobicContact CE1-CG2 4.27Å; Y35-I288 WeakPolarHBondContact OH-CG2 3.21Å; Y35-C289 WeakPolarHBondContact CE1-SG 3.24Å; Y35-Y292 HydrophobicContact CE1-CD2 4.02Å; Y35-Y292 HydrophobicContact CE1-CE2 4.38Å |
| 36 | S | 95.7 | Very high | 94.1 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 174 | -63 | 0 | 0 | 0 | 0 | 112.2 | P32 T33 V34 F39 I40 | P32-S36 PolarHBondContact O-N 3.48Å; P32-S36 PolarHBondContact O-OG 3.46Å; P32-S36 VanDerWaalsContact O-OG 3.11Å; T33-S36 PolarHBondContact O-N 2.87Å; V34-S36 VanDerWaalsContact C-N 3.33Å; V34-S36 PolarHBondContact O-N 3.03Å; S36-F39 PolarHBondContact O-N 3.11Å; S36-I40 WeakPolarHBondContact O-CG1 3.13Å; S36-I40 PolarHBondContact O-N 3.46Å |
| 37 | I | 94.8 | Very high | 94 | Very high | 81 Ų | 81 | 47.5 Ų | 47.5 | 42% | 0.415 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 174.9 | -67.4 | 165.8 | 0 | 0 | 0 | 110.4 | T33 V34 F39 I40 I41 | T33-I37 HydrophobicContact CG2-CD1 4.23Å; T33-I37 WeakPolarHBondContact O-CG1 3.37Å; T33-I37 PolarHBondContact O-N 3.18Å; V34-I37 PolarHBondContact O-N 3.11Å; I37-F39 VanDerWaalsContact C-N 3.3Å; I37-F39 PolarHBondContact O-N 2.96Å; I37-I40 PolarHBondContact O-N 3.03Å; I37-I41 HydrophobicContact CG2-CD1 3.55Å; I37-I41 HydrophobicContact CG2-CG1 4.32Å; I37-I41 WeakPolarHBondContact O-CB 3.46Å; I37-I41 WeakPolarHBondContact O-CG1 3.34Å; I37-I41 PolarHBondContact O-N 3.26Å |
| 38 | I | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 177.5 | -71.4 | 171.1 | 0 | 0 | 0 | 110.6 | V34 Y35 G42 L78 L81 F293 C296 | V34-I38 HydrophobicContact CG1-CD1 3.78Å; V34-I38 HydrophobicContact CG1-CG1 4.31Å; V34-I38 WeakPolarHBondContact O-CB 3.47Å; V34-I38 VanDerWaalsContact O-CG1 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.22Å; V34-I38 PolarHBondContact O-N 2.94Å; Y35-I38 PolarHBondContact O-N 2.94Å; I38-G42 VanDerWaalsContact O-CA 3.28Å; I38-G42 WeakPolarHBondContact O-CA 3.45Å; I38-G42 PolarHBondContact O-N 3.38Å; I38-L78 HydrophobicContact CG2-CD2 3.86Å; I38-L81 HydrophobicContact CB-CD2 3.88Å; I38-L81 HydrophobicContact CG2-CD2 3.43Å; I38-L81 VanDerWaalsContact CG2-CD2 3.43Å; I38-F293 HydrophobicContact CD1-CB 4.49Å; I38-F293 HydrophobicContact CG1-CD2 4.02Å; I38-C296 VanDerWaalsContact CA-SG 3.52Å; I38-C296 VanDerWaalsContact CG2-SG 3.58Å; I38-C296 PolarHBondContact O-SG 2.98Å |
| 39 | F | 95 | Very high | 93.3 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 31% | 0.307 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -53.7 | 176.9 | 174.9 | -104.4 | 0 | 0 | 0 | 111.7 | Y35 S36 I37 G42 I43 L78 L81 P82 | Y35-F39 VanDerWaalsContact O-CB 3.31Å; Y35-F39 WeakPolarHBondContact O-CB 3.43Å; Y35-F39 PolarHBondContact O-N 2.86Å; S36-F39 PolarHBondContact O-N 3.11Å; I37-F39 VanDerWaalsContact C-N 3.3Å; I37-F39 PolarHBondContact O-N 2.96Å; F39-G42 PolarHBondContact O-N 3.21Å; F39-I43 HydrophobicContact CD2-CG1 3.86Å; F39-I43 HydrophobicContact CE2-CD1 4.14Å; F39-I43 HydrophobicContact CE2-CG1 3.64Å; F39-I43 HydrophobicContact CG-CG1 4.47Å; F39-I43 HydrophobicContact CZ-CG1 4.07Å; F39-I43 VanDerWaalsContact O-CB 3.3Å; F39-I43 WeakPolarHBondContact O-CB 3.43Å; F39-I43 VanDerWaalsContact O-CG1 3.23Å; F39-I43 WeakPolarHBondContact O-CG1 3.09Å; F39-I43 PolarHBondContact O-N 3.33Å; F39-L78 VanDerWaalsContact CD2-O 3.24Å; F39-L78 WeakPolarHBondContact CD2-O 3.35Å; F39-L81 HydrophobicContact CB-CD2 4.25Å; F39-P82 HydrophobicContact CD2-CG 3.88Å; F39-P82 HydrophobicContact CE2-CG 3.83Å; F39-P82 HydrophobicContact CG-CG 4.31Å; F39-P82 HydrophobicContact CZ-CG 4.23Å |
| 40 | I | 93.9 | Very high | 93.1 | Very high | 112 Ų | 112 | 44.2 Ų | 44.2 | 57% | 0.574 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.9 | -52.6 | -176.7 | -66.5 | 167.2 | 0 | 0 | 0 | 110.7 | S36 I37 G42 F44 | S36-I40 WeakPolarHBondContact O-CG1 3.13Å; S36-I40 PolarHBondContact O-N 3.46Å; I37-I40 PolarHBondContact O-N 3.03Å; I40-G42 PolarHBondContact O-N 2.85Å; I40-F44 VanDerWaalsContact O-CB 3.31Å; I40-F44 WeakPolarHBondContact O-CB 3.25Å; I40-F44 PolarHBondContact O-N 3.24Å; I40-F44 VanDerWaalsContact O-N 3.11Å |
| 41 | I | 92 | Very high | 92.7 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.1 | -43.6 | -177.8 | -62.6 | 176.2 | 0 | 0 | 0 | 110.2 | I37 G45 C296 F300 | I37-I41 HydrophobicContact CG2-CD1 3.55Å; I37-I41 HydrophobicContact CG2-CG1 4.32Å; I37-I41 WeakPolarHBondContact O-CB 3.46Å; I37-I41 WeakPolarHBondContact O-CG1 3.34Å; I37-I41 PolarHBondContact O-N 3.26Å; I41-G45 PolarHBondContact O-N 3.02Å; I41-C296 HydrophobicContact CB-CB 4.38Å; I41-C296 HydrophobicContact CG2-CB 3.83Å; I41-F300 HydrophobicContact CG2-CE2 3.87Å; I41-F300 HydrophobicContact CG2-CZ 4.43Å |
| 42 | G | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -47.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I38 F39 I40 N46 | I38-G42 VanDerWaalsContact O-CA 3.28Å; I38-G42 WeakPolarHBondContact O-CA 3.45Å; I38-G42 PolarHBondContact O-N 3.38Å; F39-G42 PolarHBondContact O-N 3.21Å; I40-G42 PolarHBondContact O-N 2.85Å; G42-N46 VanDerWaalsContact O-CB 3.29Å; G42-N46 WeakPolarHBondContact O-CB 3.42Å; G42-N46 PolarHBondContact O-N 2.9Å; G42-N46 PolarHBondContact O-ND2 3.26Å |
| 43 | I | 93.4 | Very high | 91.7 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -49.9 | 179.1 | -71.3 | -65.9 | 0 | 0 | 0 | 109.9 | F39 S47 L75 L78 I79 | F39-I43 HydrophobicContact CD2-CG1 3.86Å; F39-I43 HydrophobicContact CE2-CD1 4.14Å; F39-I43 HydrophobicContact CE2-CG1 3.64Å; F39-I43 HydrophobicContact CG-CG1 4.47Å; F39-I43 HydrophobicContact CZ-CG1 4.07Å; F39-I43 VanDerWaalsContact O-CB 3.3Å; F39-I43 WeakPolarHBondContact O-CB 3.43Å; F39-I43 VanDerWaalsContact O-CG1 3.23Å; F39-I43 WeakPolarHBondContact O-CG1 3.09Å; F39-I43 PolarHBondContact O-N 3.33Å; I43-S47 WeakPolarHBondContact O-CB 3.31Å; I43-S47 PolarHBondContact O-N 3.38Å; I43-S47 PolarHBondContact O-OG 3.06Å; I43-L75 HydrophobicContact CD1-CD2 3.84Å; I43-L78 HydrophobicContact CD1-CB 3.72Å; I43-L78 HydrophobicContact CD1-CD1 4.45Å; I43-L78 HydrophobicContact CG1-CB 4.17Å; I43-I79 HydrophobicContact CD1-CG1 4.39Å |
| 44 | F | 90.2 | Very high | 91.2 | Very high | 140 Ų | 140 | 45.9 Ų | 45.9 | 61% | 0.614 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.1 | -53.3 | 179 | 173.1 | -100.7 | 0 | 0 | 0 | 111.2 | I40 L48 | I40-F44 VanDerWaalsContact O-CB 3.31Å; I40-F44 WeakPolarHBondContact O-CB 3.25Å; I40-F44 PolarHBondContact O-N 3.24Å; I40-F44 VanDerWaalsContact O-N 3.11Å; F44-L48 WeakPolarHBondContact O-CB 3.43Å; F44-L48 PolarHBondContact O-N 3.19Å; F44-L48 VanDerWaalsContact O-N 3.13Å |
| 45 | G | 88.9 | Confident | 90.6 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -47.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I41 L48 V49 P299 | I41-G45 PolarHBondContact O-N 3.02Å; G45-L48 WeakPolarHBondContact O-CB 3.4Å; G45-L48 PolarHBondContact O-N 2.9Å; G45-V49 WeakPolarHBondContact O-CG2 3.45Å; G45-V49 PolarHBondContact O-N 2.96Å; G45-P299 VanDerWaalsContact CA-CG 3.43Å; G45-P299 WeakPolarHBondContact O-CG 3.41Å |
| 46 | N | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.4 | -33.2 | -178.5 | -69.9 | -60.3 | 0 | 0 | 0 | 112.4 | G42 L48 V49 V50 A71 L75 N295 | G42-N46 VanDerWaalsContact O-CB 3.29Å; G42-N46 WeakPolarHBondContact O-CB 3.42Å; G42-N46 PolarHBondContact O-N 2.9Å; G42-N46 PolarHBondContact O-ND2 3.26Å; N46-L48 VanDerWaalsContact C-N 3.31Å; N46-L48 PolarHBondContact O-N 3.24Å; N46-V49 WeakPolarHBondContact O-CB 3.35Å; N46-V49 PolarHBondContact O-N 3.15Å; N46-V50 WeakPolarHBondContact O-CG2 3.32Å; N46-V50 PolarHBondContact O-N 3.13Å; N46-A71 HydrophobicContact CB-CB 4.27Å; N46-L75 HydrophobicContact CB-CD1 4.34Å; N46-L75 HydrophobicContact CB-CD2 3.77Å; N46-L75 HydrophobicContact CB-CG 3.74Å; N46-N295 PolarHBondContact ND2-O 3.01Å |
| 47 | S | 91.3 | Very high | 89.1 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 173 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | I43 V49 V50 I51 | I43-S47 WeakPolarHBondContact O-CB 3.31Å; I43-S47 PolarHBondContact O-N 3.38Å; I43-S47 PolarHBondContact O-OG 3.06Å; S47-V49 VanDerWaalsContact C-N 3.35Å; S47-V49 PolarHBondContact O-N 2.86Å; S47-V50 WeakPolarHBondContact O-CB 3.43Å; S47-V50 PolarHBondContact O-N 3.11Å; S47-I51 VanDerWaalsContact O-CG1 3.31Å; S47-I51 WeakPolarHBondContact O-CG1 3.45Å; S47-I51 PolarHBondContact O-N 3.47Å |
| 48 | L | 87.4 | Confident | 88.5 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 174.6 | 170.7 | 73.9 | 0 | 0 | 0 | 112.4 | F44 G45 N46 V50 I51 V52 F313 L316 | F44-L48 WeakPolarHBondContact O-CB 3.43Å; F44-L48 PolarHBondContact O-N 3.19Å; F44-L48 VanDerWaalsContact O-N 3.13Å; G45-L48 WeakPolarHBondContact O-CB 3.4Å; G45-L48 PolarHBondContact O-N 2.9Å; N46-L48 VanDerWaalsContact C-N 3.31Å; N46-L48 PolarHBondContact O-N 3.24Å; L48-V50 VanDerWaalsContact C-N 3.32Å; L48-V50 PolarHBondContact O-N 3.04Å; L48-I51 PolarHBondContact O-N 3.2Å; L48-V52 HydrophobicContact CD1-CG2 4.11Å; L48-V52 HydrophobicContact CG-CG2 4.42Å; L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.25Å; L48-F313 HydrophobicContact CD1-CD2 3.94Å; L48-F313 HydrophobicContact CD1-CE2 4.32Å; L48-F313 HydrophobicContact CD2-CD2 3.34Å; L48-F313 HydrophobicContact CD2-CE2 3.16Å; L48-F313 HydrophobicContact CD2-CZ 4.32Å; L48-F313 HydrophobicContact CG-CD2 4.03Å; L48-F313 HydrophobicContact CG-CE2 4.25Å; L48-L316 HydrophobicContact CD1-CD1 3.97Å |
| 49 | V | 87.8 | Confident | 88 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 174.6 | 172 | 0 | 0 | 0 | 0 | 110.9 | G45 N46 S47 I51 V52 I53 A71 P299 Y302 F309 | G45-V49 WeakPolarHBondContact O-CG2 3.45Å; G45-V49 PolarHBondContact O-N 2.96Å; N46-V49 WeakPolarHBondContact O-CB 3.35Å; N46-V49 PolarHBondContact O-N 3.15Å; S47-V49 VanDerWaalsContact C-N 3.35Å; S47-V49 PolarHBondContact O-N 2.86Å; V49-I51 PolarHBondContact O-N 3.36Å; V49-V52 PolarHBondContact O-N 2.96Å; V49-I53 HydrophobicContact CG1-CD1 3.59Å; V49-I53 HydrophobicContact CG1-CG1 4.34Å; V49-I53 WeakPolarHBondContact O-CB 3.29Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.38Å; V49-I53 PolarHBondContact O-N 3.26Å; V49-A71 HydrophobicContact CB-CB 4.11Å; V49-A71 HydrophobicContact CG1-CB 3.77Å; V49-P299 HydrophobicContact CG2-CB 3.94Å; V49-P299 HydrophobicContact CG2-CG 3.88Å; V49-Y302 HydrophobicContact CB-CD2 4.4Å; V49-Y302 HydrophobicContact CG1-CD2 3.98Å; V49-Y302 HydrophobicContact CG1-CE2 3.84Å; V49-Y302 HydrophobicContact CG2-CD2 3.45Å; V49-Y302 VanDerWaalsContact CG2-CD2 3.45Å; V49-Y302 HydrophobicContact CG2-CE2 3.81Å; V49-F309 HydrophobicContact CB-CZ 4.43Å; V49-F309 HydrophobicContact CG1-CE2 4.47Å; V49-F309 HydrophobicContact CG2-CE2 4.37Å; V49-F309 HydrophobicContact CG2-CZ 3.87Å |
| 50 | V | 90.7 | Very high | 87.4 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | N46 S47 L48 V52 I53 Y54 L68 A71 L72 L75 | N46-V50 WeakPolarHBondContact O-CG2 3.32Å; N46-V50 PolarHBondContact O-N 3.13Å; S47-V50 WeakPolarHBondContact O-CB 3.43Å; S47-V50 PolarHBondContact O-N 3.11Å; L48-V50 VanDerWaalsContact C-N 3.32Å; L48-V50 PolarHBondContact O-N 3.04Å; V50-V52 PolarHBondContact O-N 3.49Å; V50-I53 PolarHBondContact O-N 3.01Å; V50-Y54 WeakPolarHBondContact O-CB 3.33Å; V50-Y54 PolarHBondContact O-N 2.87Å; V50-L68 HydrophobicContact CB-CD1 4.17Å; V50-L68 HydrophobicContact CG1-CD1 3.97Å; V50-L68 HydrophobicContact CG2-CD1 3.97Å; V50-A71 HydrophobicContact CG2-CB 3.93Å; V50-L72 HydrophobicContact CG2-CD2 4.07Å; V50-L72 HydrophobicContact CG2-CG 4.39Å; V50-L75 HydrophobicContact CG2-CD1 4Å |
| 51 | I | 88 | Confident | 86.9 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 38% | 0.379 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 179.4 | -68 | 164.1 | 0 | 0 | 0 | 111.4 | S47 L48 V49 I53 C55 Y56 L316 | S47-I51 VanDerWaalsContact O-CG1 3.31Å; S47-I51 WeakPolarHBondContact O-CG1 3.45Å; S47-I51 PolarHBondContact O-N 3.47Å; L48-I51 PolarHBondContact O-N 3.2Å; V49-I51 PolarHBondContact O-N 3.36Å; I51-I53 PolarHBondContact O-N 2.67Å; I51-C55 VanDerWaalsContact O-CB 3.22Å; I51-C55 WeakPolarHBondContact O-CB 3.17Å; I51-C55 PolarHBondContact O-N 3.04Å; I51-Y56 HydrophobicContact CG2-CE2 4.28Å; I51-L316 HydrophobicContact CG2-CD1 4.2Å; I51-L316 HydrophobicContact CG2-CD2 4.35Å |
| 52 | V | 84.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -62.6 | -45.9 | -179 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L48 V49 V50 Y56 M57 F309 L316 | L48-V52 HydrophobicContact CD1-CG2 4.11Å; L48-V52 HydrophobicContact CG-CG2 4.42Å; L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.25Å; V49-V52 PolarHBondContact O-N 2.96Å; V50-V52 PolarHBondContact O-N 3.49Å; V52-Y56 WeakPolarHBondContact O-CA 3.16Å; V52-Y56 WeakPolarHBondContact O-CB 3.35Å; V52-Y56 PolarHBondContact O-N 3.41Å; V52-Y56 VanDerWaalsContact O-N 3.12Å; V52-M57 HydrophobicContact CG1-CG 4.35Å; V52-M57 HydrophobicContact CG1-SD 4.39Å; V52-M57 PolarHBondContact O-N 3.47Å; V52-F309 HydrophobicContact CB-CD2 4.12Å; V52-F309 HydrophobicContact CB-CE2 3.59Å; V52-F309 HydrophobicContact CB-CZ 3.95Å; V52-F309 HydrophobicContact CG1-CD2 3.43Å; V52-F309 VanDerWaalsContact CG1-CD2 3.43Å; V52-F309 HydrophobicContact CG1-CE2 3.45Å; V52-F309 VanDerWaalsContact CG1-CE2 3.45Å; V52-F309 HydrophobicContact CG1-CG 4.04Å; V52-F309 HydrophobicContact CG1-CZ 4.07Å; V52-F309 HydrophobicContact CG2-CE2 4.24Å; V52-F309 HydrophobicContact CG2-CZ 4.09Å; V52-L316 HydrophobicContact CG2-CD1 3.54Å |
| 53 | I | 84.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -68.7 | -46 | -177.3 | -68.2 | 175 | 0 | 0 | 0 | 111.2 | V49 V50 I51 M57 K58 L59 L67 L68 F309 | V49-I53 HydrophobicContact CG1-CD1 3.59Å; V49-I53 HydrophobicContact CG1-CG1 4.34Å; V49-I53 WeakPolarHBondContact O-CB 3.29Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.38Å; V49-I53 PolarHBondContact O-N 3.26Å; V50-I53 PolarHBondContact O-N 3.01Å; I51-I53 PolarHBondContact O-N 2.67Å; I53-M57 HydrophobicContact CG1-SD 4.34Å; I53-M57 CarbonylContact O-C 3.52Å; I53-M57 WeakPolarHBondContact O-CB 2.9Å; I53-M57 PolarHBondContact O-N 2.94Å; I53-K58 PolarHBondContact O-N 3.07Å; I53-L59 HydrophobicContact CG2-CD2 3.47Å; I53-L59 VanDerWaalsContact CG2-CD2 3.47Å; I53-L59 HydrophobicContact CG2-CG 4.21Å; I53-L59 PolarHBondContact O-N 3.45Å; I53-L67 HydrophobicContact CD1-CB 3.74Å; I53-L68 HydrophobicContact CG2-CB 4.08Å; I53-F309 HydrophobicContact CG1-CE2 4.41Å |
| 54 | Y | 86.4 | Confident | 86 | Confident | 154 Ų | 154 | 52.1 Ų | 52.1 | 60% | 0.604 | 26% | 0.256 | S | S | * | . | I | π-helix | trans | -75.1 | -52.4 | -174.6 | -169.4 | -99.7 | 0 | 0 | 0 | 111.6 | V50 L59 | V50-Y54 WeakPolarHBondContact O-CB 3.33Å; V50-Y54 PolarHBondContact O-N 2.87Å; Y54-L59 HydrophobicContact CD2-CD1 4.11Å |
| 55 | C | 83.4 | Confident | 86.1 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 49% | 0.493 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -80.7 | -40 | -173.6 | -58 | 0 | 0 | 0 | 0 | 112.9 | I51 | I51-C55 VanDerWaalsContact O-CB 3.22Å; I51-C55 WeakPolarHBondContact O-CB 3.17Å; I51-C55 PolarHBondContact O-N 3.04Å |
| 56 | Y | 79.6 | Confident | 86.2 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -100.2 | -44.5 | -172.4 | -64.6 | -92.7 | 0 | 0 | 0 | 113.3 | I51 V52 Y312 L316 | I51-Y56 HydrophobicContact CG2-CE2 4.28Å; V52-Y56 WeakPolarHBondContact O-CA 3.16Å; V52-Y56 WeakPolarHBondContact O-CB 3.35Å; V52-Y56 PolarHBondContact O-N 3.41Å; V52-Y56 VanDerWaalsContact O-N 3.12Å; Y56-Y312 AromaticContact CD1-CD1 3.57Å; Y56-Y312 HydrophobicContact CD1-CD1 3.57Å; Y56-Y312 HydrophobicContact CD1-CE1 4.22Å; Y56-Y312 HydrophobicContact CD1-CG 4.15Å; Y56-Y312 HydrophobicContact CE1-CD1 4.5Å; Y56-Y312 AromaticContact CG-CD1 3.99Å; Y56-Y312 HydrophobicContact CG-CD1 3.99Å; Y56-Y312 HydrophobicContact CG-CG 4.12Å; Y56-L316 HydrophobicContact CD2-CD1 4.16Å; Y56-L316 HydrophobicContact CE2-CD1 3.59Å; Y56-L316 HydrophobicContact CE2-CD2 3.87Å; Y56-L316 HydrophobicContact CE2-CG 3.75Å; Y56-L316 WeakPolarHBondContact OH-CD2 3.46Å |
| 57 | M | 79.4 | Confident | 86 | Confident | 52 Ų | 52 | 47 Ų | 47 | 26% | 0.256 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -84.4 | -14.9 | -179.2 | -57.6 | -174.1 | 70.5 | 0 | 0 | 113.3 | V52 I53 L59 K60 F309 Y312 | V52-M57 HydrophobicContact CG1-CG 4.35Å; V52-M57 HydrophobicContact CG1-SD 4.39Å; V52-M57 PolarHBondContact O-N 3.47Å; I53-M57 HydrophobicContact CG1-SD 4.34Å; I53-M57 CarbonylContact O-C 3.52Å; I53-M57 WeakPolarHBondContact O-CB 2.9Å; I53-M57 PolarHBondContact O-N 2.94Å; M57-L59 PolarHBondContact O-N 2.64Å; M57-L59 VanDerWaalsContact O-N 3.11Å; M57-K60 WeakPolarHBondContact O-CG 3.37Å; M57-K60 PolarHBondContact O-N 2.88Å; M57-F309 HydrophobicContact SD-CD2 4.24Å; M57-Y312 HydrophobicContact CG-CD2 4.28Å; M57-Y312 HydrophobicContact CG-CE2 4.41Å |
| 58 | K | 82.6 | Confident | 85.9 | Confident | 146 Ų | 146 | 45.8 Ų | 45.8 | 64% | 0.635 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 33.8 | 176.8 | -56.7 | -171.5 | 177.9 | -171.9 | 0 | 113.7 | I53 K60 | I53-K58 PolarHBondContact O-N 3.07Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 HydrophobicContact CB-CG 4.44Å; K58-K60 PolarHBondContact O-N 3.49Å; K58-K60 VanDerWaalsContact O-N 3.13Å |
| 59 | L | 82.8 | Confident | 86.3 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 43.9 | 177 | -67.3 | 166.6 | 0 | 0 | 0 | 114.4 | I53 Y54 M57 T61 V65 L68 M142 | I53-L59 HydrophobicContact CG2-CD2 3.47Å; I53-L59 VanDerWaalsContact CG2-CD2 3.47Å; I53-L59 HydrophobicContact CG2-CG 4.21Å; I53-L59 PolarHBondContact O-N 3.45Å; Y54-L59 HydrophobicContact CD2-CD1 4.11Å; M57-L59 PolarHBondContact O-N 2.64Å; M57-L59 VanDerWaalsContact O-N 3.11Å; L59-T61 VanDerWaalsContact C-N 3.28Å; L59-T61 PolarHBondContact O-N 3.05Å; L59-V65 HydrophobicContact CD2-CG2 4.38Å; L59-L68 HydrophobicContact CD1-CD2 3.91Å; L59-L68 HydrophobicContact CD2-CB 4.1Å; L59-L68 HydrophobicContact CD2-CD2 3.74Å; L59-L68 HydrophobicContact CG-CD2 4.35Å; L59-M142 WeakPolarHBondContact O-CE 3.36Å |
| 60 | K | 82.6 | Confident | 86.4 | Confident | 164 Ų | 164 | 46 Ų | 46 | 71% | 0.713 | 23% | 0.225 | S | C | * | . | trans | -78.3 | -5.4 | -175.1 | -66.8 | -178.5 | -177.2 | -174.2 | 0 | 115 | M57 K58 | M57-K60 WeakPolarHBondContact O-CG 3.37Å; M57-K60 PolarHBondContact O-N 2.88Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 HydrophobicContact CB-CG 4.44Å; K58-K60 PolarHBondContact O-N 3.49Å; K58-K60 VanDerWaalsContact O-N 3.13Å | ||
| 61 | T | 85.1 | Confident | 86.5 | Confident | 66 Ų | 66 | 44.5 Ų | 44.5 | 41% | 0.405 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -133.2 | 151 | -175 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | L59 A63 S64 V65 | L59-T61 VanDerWaalsContact C-N 3.28Å; L59-T61 PolarHBondContact O-N 3.05Å; T61-A63 VanDerWaalsContact C-N 3.29Å; T61-A63 PolarHBondContact O-N 3.13Å; T61-S64 PolarHBondContact N-OG 3.34Å; T61-S64 PolarHBondContact O-N 3.45Å; T61-S64 VanDerWaalsContact O-N 3.12Å; T61-S64 PolarHBondContact O-OG 3.26Å; T61-S64 WeakPolarHBondContact OG1-CB 3.35Å; T61-S64 PolarHBondContact OG1-N 3.33Å; T61-S64 PolarHBondContact OG1-OG 3.23Å; T61-V65 PolarHBondContact O-N 3.36Å |
| 62 | V | 87.6 | Confident | 86.8 | Confident | 17 Ų | 17 | 44 Ų | 44 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.7 | -46.5 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 111 | S64 V65 F66 D125 R140 M142 A145 | V62-S64 PolarHBondContact O-N 2.91Å; V62-V65 WeakPolarHBondContact O-CB 3.34Å; V62-V65 PolarHBondContact O-N 3.09Å; V62-V65 VanDerWaalsContact O-N 3.08Å; V62-F66 HydrophobicContact CG1-CD2 4.11Å; V62-F66 HydrophobicContact CG1-CE2 3.46Å; V62-F66 VanDerWaalsContact CG1-CE2 3.46Å; V62-F66 HydrophobicContact CG1-CZ 3.94Å; V62-F66 PolarHBondContact O-N 3.48Å; V62-D125 VanDerWaalsContact CG1-OD1 3.27Å; V62-D125 WeakPolarHBondContact CG1-OD1 3.48Å; V62-R140 HydrophobicContact CG2-CB 4.48Å; V62-R140 WeakPolarHBondContact CG2-O 3.36Å; V62-M142 HydrophobicContact CG2-SD 4.47Å; V62-A145 HydrophobicContact CB-CB 4.28Å; V62-A145 HydrophobicContact CG1-CB 3.81Å; V62-A145 HydrophobicContact CG2-CB 4.2Å |
| 63 | A | 85.3 | Confident | 87.2 | Confident | 9 Ų | 9 | 44 Ų | 44 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T61 V65 F66 L67 L122 | T61-A63 VanDerWaalsContact C-N 3.29Å; T61-A63 PolarHBondContact O-N 3.13Å; A63-V65 PolarHBondContact O-N 2.85Å; A63-F66 PolarHBondContact O-N 3.27Å; A63-F66 VanDerWaalsContact O-N 3.1Å; A63-L67 VanDerWaalsContact O-CG 3.3Å; A63-L67 WeakPolarHBondContact O-CG 3.09Å; A63-L67 PolarHBondContact O-N 3.25Å; A63-L122 HydrophobicContact CB-CD1 3.8Å |
| 64 | S | 85.8 | Confident | 87.6 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -27.2 | 177.9 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | T61 V62 L68 | T61-S64 PolarHBondContact N-OG 3.34Å; T61-S64 PolarHBondContact O-N 3.45Å; T61-S64 VanDerWaalsContact O-N 3.12Å; T61-S64 PolarHBondContact O-OG 3.26Å; T61-S64 WeakPolarHBondContact OG1-CB 3.35Å; T61-S64 PolarHBondContact OG1-N 3.33Å; T61-S64 PolarHBondContact OG1-OG 3.23Å; V62-S64 PolarHBondContact O-N 2.91Å; S64-L68 WeakPolarHBondContact O-CB 3.48Å; S64-L68 PolarHBondContact O-N 3.2Å |
| 65 | V | 91.3 | Very high | 87.9 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.6 | -46.2 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | L59 T61 V62 A63 L68 N69 M142 A145 R146 | L59-V65 HydrophobicContact CD2-CG2 4.38Å; T61-V65 PolarHBondContact O-N 3.36Å; V62-V65 WeakPolarHBondContact O-CB 3.34Å; V62-V65 PolarHBondContact O-N 3.09Å; V62-V65 VanDerWaalsContact O-N 3.08Å; A63-V65 PolarHBondContact O-N 2.85Å; V65-L68 PolarHBondContact O-N 3.12Å; V65-N69 PolarHBondContact O-N 3.32Å; V65-N69 PolarHBondContact O-ND2 3.46Å; V65-M142 HydrophobicContact CG2-CE 3.19Å; V65-M142 HydrophobicContact CG2-SD 4.35Å; V65-A145 HydrophobicContact CB-CB 4.25Å; V65-A145 HydrophobicContact CG1-CB 4.37Å; V65-A145 HydrophobicContact CG2-CB 4.35Å; V65-R146 HydrophobicContact CG1-CG 4.46Å |
| 66 | F | 91 | Very high | 88.3 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 4% | 0.044 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 177.8 | -62 | -39.8 | 0 | 0 | 0 | 111.9 | V62 A63 L68 N69 L70 L118 C121 L122 D125 A145 T148 C149 | V62-F66 HydrophobicContact CG1-CD2 4.11Å; V62-F66 HydrophobicContact CG1-CE2 3.46Å; V62-F66 VanDerWaalsContact CG1-CE2 3.46Å; V62-F66 HydrophobicContact CG1-CZ 3.94Å; V62-F66 PolarHBondContact O-N 3.48Å; A63-F66 PolarHBondContact O-N 3.27Å; A63-F66 VanDerWaalsContact O-N 3.1Å; F66-L68 VanDerWaalsContact C-N 3.34Å; F66-L68 PolarHBondContact O-N 3.2Å; F66-N69 PolarHBondContact O-N 2.93Å; F66-L70 WeakPolarHBondContact O-CB 3.32Å; F66-L70 PolarHBondContact O-N 2.93Å; F66-L118 HydrophobicContact CB-CD2 4.36Å; F66-L118 HydrophobicContact CD1-CD2 4.04Å; F66-C121 HydrophobicContact CE1-CB 4.38Å; F66-C121 HydrophobicContact CE2-CB 4.3Å; F66-C121 HydrophobicContact CZ-CB 4.11Å; F66-L122 HydrophobicContact CB-CD1 4.49Å; F66-L122 HydrophobicContact CD2-CB 4.3Å; F66-L122 HydrophobicContact CD2-CD1 4.18Å; F66-D125 HydrophobicContact CE2-CB 4.17Å; F66-A145 HydrophobicContact CE1-CB 4.48Å; F66-A145 HydrophobicContact CZ-CB 4.4Å; F66-T148 HydrophobicContact CE1-CG2 3.95Å; F66-T148 HydrophobicContact CZ-CG2 4.17Å; F66-C149 VanDerWaalsContact CD1-SG 3.57Å |
| 67 | L | 87.8 | Confident | 88.9 | Confident | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.094 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 177.3 | -61.5 | -176.9 | 0 | 0 | 0 | 112.4 | I53 A63 L70 A71 L122 M241 Y302 | I53-L67 HydrophobicContact CD1-CB 3.74Å; A63-L67 VanDerWaalsContact O-CG 3.3Å; A63-L67 WeakPolarHBondContact O-CG 3.09Å; A63-L67 PolarHBondContact O-N 3.25Å; L67-L70 PolarHBondContact O-N 3.01Å; L67-A71 PolarHBondContact O-N 3.37Å; L67-A71 VanDerWaalsContact O-N 3.09Å; L67-L122 HydrophobicContact CD2-CD2 3.69Å; L67-M241 HydrophobicContact CD1-CE 4.19Å; L67-Y302 HydrophobicContact CB-CE1 4.48Å; L67-Y302 HydrophobicContact CD1-CD1 4.04Å; L67-Y302 HydrophobicContact CD1-CE1 3.62Å; L67-Y302 HydrophobicContact CD2-CE1 3.57Å; L67-Y302 WeakPolarHBondContact CD2-OH 3.46Å; L67-Y302 HydrophobicContact CG-CE1 4.05Å |
| 68 | L | 90.6 | Very high | 89.6 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 10% | 0.099 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 174 | 177.4 | 66.1 | 0 | 0 | 0 | 111.2 | V50 I53 L59 S64 V65 F66 L70 A71 L72 | V50-L68 HydrophobicContact CB-CD1 4.17Å; V50-L68 HydrophobicContact CG1-CD1 3.97Å; V50-L68 HydrophobicContact CG2-CD1 3.97Å; I53-L68 HydrophobicContact CG2-CB 4.08Å; L59-L68 HydrophobicContact CD1-CD2 3.91Å; L59-L68 HydrophobicContact CD2-CB 4.1Å; L59-L68 HydrophobicContact CD2-CD2 3.74Å; L59-L68 HydrophobicContact CG-CD2 4.35Å; S64-L68 WeakPolarHBondContact O-CB 3.48Å; S64-L68 PolarHBondContact O-N 3.2Å; V65-L68 PolarHBondContact O-N 3.12Å; F66-L68 VanDerWaalsContact C-N 3.34Å; F66-L68 PolarHBondContact O-N 3.2Å; L68-L70 VanDerWaalsContact C-N 3.25Å; L68-L70 PolarHBondContact O-N 2.9Å; L68-A71 PolarHBondContact O-N 3.01Å; L68-L72 HydrophobicContact CD1-CD1 4.45Å; L68-L72 HydrophobicContact CG-CD1 4.13Å; L68-L72 WeakPolarHBondContact O-CG 3.34Å; L68-L72 PolarHBondContact O-N 3.35Å |
| 69 | N | 94.1 | Very high | 90.1 | Very high | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -32.9 | 179.7 | -79.1 | -93.7 | 0 | 0 | 0 | 111.9 | V65 F66 L72 A73 L118 C149 W153 | V65-N69 PolarHBondContact O-N 3.32Å; V65-N69 PolarHBondContact O-ND2 3.46Å; F66-N69 PolarHBondContact O-N 2.93Å; N69-L72 PolarHBondContact O-N 3.12Å; N69-A73 WeakPolarHBondContact O-CB 3.35Å; N69-A73 PolarHBondContact O-N 2.88Å; N69-L118 HydrophobicContact CB-CD1 3.98Å; N69-L118 HydrophobicContact CB-CD2 3.9Å; N69-C149 PolarHBondContact ND2-SG 3.28Å; N69-C149 VanDerWaalsContact ND2-SG 3.41Å; N69-W153 PolarHBondContact OD1-NE1 3.34Å |
| 70 | L | 91.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -49.7 | 175.2 | -174.7 | 62.7 | 0 | 0 | 0 | 110.6 | F66 L67 L68 L72 A73 D74 S115 L118 L119 | F66-L70 WeakPolarHBondContact O-CB 3.32Å; F66-L70 PolarHBondContact O-N 2.93Å; L67-L70 PolarHBondContact O-N 3.01Å; L68-L70 VanDerWaalsContact C-N 3.25Å; L68-L70 PolarHBondContact O-N 2.9Å; L70-L72 VanDerWaalsContact C-N 3.3Å; L70-L72 PolarHBondContact O-N 3.47Å; L70-A73 PolarHBondContact O-N 3.5Å; L70-D74 VanDerWaalsContact O-CG 3.24Å; L70-D74 PolarHBondContact O-N 2.81Å; L70-S115 WeakPolarHBondContact CD1-OG 3.33Å; L70-L118 HydrophobicContact CB-CD1 4.08Å; L70-L118 HydrophobicContact CD1-CB 4.44Å; L70-L118 HydrophobicContact CD1-CD1 4.25Å; L70-L119 HydrophobicContact CD2-CD2 4.02Å |
| 71 | A | 92.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N46 V49 V50 L67 L68 D74 L75 | N46-A71 HydrophobicContact CB-CB 4.27Å; V49-A71 HydrophobicContact CB-CB 4.11Å; V49-A71 HydrophobicContact CG1-CB 3.77Å; V50-A71 HydrophobicContact CG2-CB 3.93Å; L67-A71 PolarHBondContact O-N 3.37Å; L67-A71 VanDerWaalsContact O-N 3.09Å; L68-A71 PolarHBondContact O-N 3.01Å; A71-D74 PolarHBondContact O-N 2.98Å; A71-L75 VanDerWaalsContact O-CG 3.25Å; A71-L75 WeakPolarHBondContact O-CG 3.45Å; A71-L75 PolarHBondContact O-N 3.42Å |
| 72 | L | 93.7 | Very high | 91.7 | Very high | 65 Ų | 65 | 22.2 Ų | 22.2 | 34% | 0.34 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 175.6 | -70.2 | 172.2 | 0 | 0 | 0 | 112.1 | V50 L68 N69 L70 D74 L75 C76 W153 | V50-L72 HydrophobicContact CG2-CD2 4.07Å; V50-L72 HydrophobicContact CG2-CG 4.39Å; L68-L72 HydrophobicContact CD1-CD1 4.45Å; L68-L72 HydrophobicContact CG-CD1 4.13Å; L68-L72 WeakPolarHBondContact O-CG 3.34Å; L68-L72 PolarHBondContact O-N 3.35Å; N69-L72 PolarHBondContact O-N 3.12Å; L70-L72 VanDerWaalsContact C-N 3.3Å; L70-L72 PolarHBondContact O-N 3.47Å; L72-D74 VanDerWaalsContact C-N 3.3Å; L72-D74 PolarHBondContact O-N 2.9Å; L72-L75 PolarHBondContact O-N 3.31Å; L72-C76 PolarHBondContact O-N 3.35Å; L72-C76 PolarHBondContact O-SG 3.49Å; L72-W153 HydrophobicContact CB-CZ2 4.44Å |
| 73 | A | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N69 L70 F77 N111 A114 W153 | N69-A73 WeakPolarHBondContact O-CB 3.35Å; N69-A73 PolarHBondContact O-N 2.88Å; L70-A73 PolarHBondContact O-N 3.5Å; A73-F77 PolarHBondContact O-N 2.99Å; A73-N111 VanDerWaalsContact C-ND2 3.25Å; A73-N111 PolarHBondContact O-ND2 2.93Å; A73-A114 HydrophobicContact CB-CB 4.17Å; A73-W153 HydrophobicContact CB-CH2 4.1Å; A73-W153 HydrophobicContact CB-CZ2 4.31Å |
| 74 | D | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 176.8 | -66.1 | -12.8 | 0 | 0 | 0 | 111.4 | L70 A71 L72 C76 F77 L78 N111 S115 N295 N298 | L70-D74 VanDerWaalsContact O-CG 3.24Å; L70-D74 PolarHBondContact O-N 2.81Å; A71-D74 PolarHBondContact O-N 2.98Å; L72-D74 VanDerWaalsContact C-N 3.3Å; L72-D74 PolarHBondContact O-N 2.9Å; D74-C76 PolarHBondContact O-N 3.41Å; D74-F77 PolarHBondContact O-N 3.45Å; D74-L78 WeakPolarHBondContact O-CB 3.47Å; D74-L78 WeakPolarHBondContact O-CD1 2.87Å; D74-L78 WeakPolarHBondContact O-CG 3.08Å; D74-L78 PolarHBondContact O-N 3.3Å; D74-N111 WeakPolarHBondContact CA-ND2 3.33Å; D74-N111 PolarHBondContact N-ND2 2.79Å; D74-N111 PolarHBondContact OD1-ND2 2.74Å; D74-S115 PolarHBondContact OD1-OG 3.41Å; D74-N295 HydrophobicContact CB-CB 4.26Å; D74-N295 PolarHBondContact OD1-OD1 2.97Å; D74-N295 VanDerWaalsContact OD1-OD1 3.08Å; D74-N298 PolarHBondContact OD2-ND2 3.07Å |
| 75 | L | 93.5 | Very high | 93.2 | Very high | 25 Ų | 25 | 23.9 Ų | 23.9 | 13% | 0.131 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.7 | -73.2 | 170.4 | 0 | 0 | 0 | 112.4 | I43 N46 V50 A71 L72 F77 L78 I79 | I43-L75 HydrophobicContact CD1-CD2 3.84Å; N46-L75 HydrophobicContact CB-CD1 4.34Å; N46-L75 HydrophobicContact CB-CD2 3.77Å; N46-L75 HydrophobicContact CB-CG 3.74Å; V50-L75 HydrophobicContact CG2-CD1 4Å; A71-L75 VanDerWaalsContact O-CG 3.25Å; A71-L75 WeakPolarHBondContact O-CG 3.45Å; A71-L75 PolarHBondContact O-N 3.42Å; L72-L75 PolarHBondContact O-N 3.31Å; L75-F77 VanDerWaalsContact C-N 3.28Å; L75-F77 PolarHBondContact O-N 2.97Å; L75-L78 PolarHBondContact O-N 3.09Å; L75-I79 WeakPolarHBondContact O-CG1 3.34Å; L75-I79 PolarHBondContact O-N 3.38Å; L75-I79 VanDerWaalsContact O-N 3.1Å |
| 76 | C | 91.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 25.1 Ų | 25.1 | 47% | 0.466 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 177 | -71.3 | 0 | 0 | 0 | 0 | 112 | L72 D74 | L72-C76 PolarHBondContact O-N 3.35Å; L72-C76 PolarHBondContact O-SG 3.49Å; D74-C76 PolarHBondContact O-N 3.41Å |
| 77 | F | 92.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.5 | -46.3 | 175.5 | 154.7 | -103.7 | 0 | 0 | 0 | 112.1 | A73 D74 L75 I79 T80 L81 I108 N111 Y292 N295 | A73-F77 PolarHBondContact O-N 2.99Å; D74-F77 PolarHBondContact O-N 3.45Å; L75-F77 VanDerWaalsContact C-N 3.28Å; L75-F77 PolarHBondContact O-N 2.97Å; F77-I79 PolarHBondContact O-N 3.46Å; F77-T80 WeakPolarHBondContact O-CA 3.2Å; F77-T80 PolarHBondContact O-N 3.35Å; F77-T80 PolarHBondContact O-OG1 3.06Å; F77-L81 HydrophobicContact CE2-CD1 4.38Å; F77-L81 HydrophobicContact CZ-CD1 3.91Å; F77-L81 PolarHBondContact O-N 3.44Å; F77-I108 HydrophobicContact CD2-CG1 4.01Å; F77-I108 HydrophobicContact CE2-CG1 3.81Å; F77-N111 HydrophobicContact CB-CB 3.55Å; F77-N111 HydrophobicContact CG-CB 4.11Å; F77-Y292 HydrophobicContact CE1-CD1 4.23Å; F77-Y292 HydrophobicContact CE1-CD2 4.32Å; F77-Y292 HydrophobicContact CE1-CG 4.06Å; F77-Y292 HydrophobicContact CE2-CD1 4.36Å; F77-Y292 HydrophobicContact CE2-CD2 4.18Å; F77-Y292 HydrophobicContact CE2-CE1 4.01Å; F77-Y292 AromaticContact CE2-CE2 3.76Å; F77-Y292 HydrophobicContact CE2-CE2 3.76Å; F77-Y292 HydrophobicContact CE2-CG 4.45Å; F77-Y292 AromaticContact CE2-CZ 3.69Å; F77-Y292 AromaticContact CZ-CD1 3.72Å; F77-Y292 HydrophobicContact CZ-CD1 3.72Å; F77-Y292 AromaticContact CZ-CD2 3.42Å; F77-Y292 HydrophobicContact CZ-CD2 3.42Å; F77-Y292 VanDerWaalsContact CZ-CD2 3.42Å; F77-Y292 AromaticContact CZ-CE1 3.83Å; F77-Y292 HydrophobicContact CZ-CE1 3.83Å; F77-Y292 AromaticContact CZ-CE2 3.48Å; F77-Y292 HydrophobicContact CZ-CE2 3.48Å; F77-Y292 VanDerWaalsContact CZ-CE2 3.48Å; F77-Y292 AromaticContact CZ-CG 3.52Å; F77-Y292 HydrophobicContact CZ-CG 3.52Å; F77-Y292 AromaticContact CZ-CZ 3.71Å; F77-N295 VanDerWaalsContact CD1-ND2 3.26Å; F77-N295 WeakPolarHBondContact CD1-ND2 3.38Å; F77-N295 VanDerWaalsContact CE1-ND2 3.32Å; F77-N295 WeakPolarHBondContact CE1-ND2 3.46Å |
| 78 | L | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -33.8 | -176.9 | -72.2 | 163 | 0 | 0 | 0 | 112.3 | I38 F39 I43 D74 L75 T80 L81 P82 | I38-L78 HydrophobicContact CG2-CD2 3.86Å; F39-L78 VanDerWaalsContact CD2-O 3.24Å; F39-L78 WeakPolarHBondContact CD2-O 3.35Å; I43-L78 HydrophobicContact CD1-CB 3.72Å; I43-L78 HydrophobicContact CD1-CD1 4.45Å; I43-L78 HydrophobicContact CG1-CB 4.17Å; D74-L78 WeakPolarHBondContact O-CB 3.47Å; D74-L78 WeakPolarHBondContact O-CD1 2.87Å; D74-L78 WeakPolarHBondContact O-CG 3.08Å; D74-L78 PolarHBondContact O-N 3.3Å; L75-L78 PolarHBondContact O-N 3.09Å; L78-T80 PolarHBondContact O-N 3.3Å; L78-L81 HydrophobicContact CD2-CD2 4.08Å; L78-L81 VanDerWaalsContact O-CB 3.27Å; L78-L81 WeakPolarHBondContact O-CB 3.4Å; L78-L81 PolarHBondContact O-N 3.07Å; L78-L81 VanDerWaalsContact O-N 3.07Å; L78-P82 WeakPolarHBondContact O-CD 3.5Å |
| 79 | I | 93.1 | Very high | 94.3 | Very high | 115 Ų | 115 | 27.3 Ų | 27.3 | 59% | 0.59 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -59.2 | -29.3 | 174.1 | -69.2 | 164.5 | 0 | 0 | 0 | 112.2 | I43 L75 F77 P82 | I43-I79 HydrophobicContact CD1-CG1 4.39Å; L75-I79 WeakPolarHBondContact O-CG1 3.34Å; L75-I79 PolarHBondContact O-N 3.38Å; L75-I79 VanDerWaalsContact O-N 3.1Å; F77-I79 PolarHBondContact O-N 3.46Å; I79-P82 WeakPolarHBondContact O-CD 3.23Å |
| 80 | T | 93.5 | Very high | 94.3 | Very high | 24 Ų | 24 | 31 Ų | 31 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -86.8 | -14.2 | 178 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | F77 L78 P82 L83 | F77-T80 WeakPolarHBondContact O-CA 3.2Å; F77-T80 PolarHBondContact O-N 3.35Å; F77-T80 PolarHBondContact O-OG1 3.06Å; L78-T80 PolarHBondContact O-N 3.3Å; T80-P82 VanDerWaalsContact C-CD 3.49Å; T80-L83 WeakPolarHBondContact O-CB 3.3Å; T80-L83 WeakPolarHBondContact O-CD1 3.39Å; T80-L83 PolarHBondContact O-N 2.86Å; T80-L83 VanDerWaalsContact O-N 3.16Å |
| 81 | L | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -36.2 | -174.7 | -166.9 | 59.2 | 0 | 0 | 0 | 114.6 | Y35 I38 F39 F77 L78 L83 W84 A85 Y292 | Y35-L81 HydrophobicContact CD1-CD1 4.04Å; Y35-L81 HydrophobicContact CD2-CD1 4.12Å; Y35-L81 HydrophobicContact CE1-CD1 4.45Å; Y35-L81 HydrophobicContact CG-CD1 3.86Å; Y35-L81 HydrophobicContact CG-CG 4.3Å; Y35-L81 WeakPolarHBondContact O-CD2 3.49Å; I38-L81 HydrophobicContact CB-CD2 3.88Å; I38-L81 HydrophobicContact CG2-CD2 3.43Å; I38-L81 VanDerWaalsContact CG2-CD2 3.43Å; F39-L81 HydrophobicContact CB-CD2 4.25Å; F77-L81 HydrophobicContact CE2-CD1 4.38Å; F77-L81 HydrophobicContact CZ-CD1 3.91Å; F77-L81 PolarHBondContact O-N 3.44Å; L78-L81 HydrophobicContact CD2-CD2 4.08Å; L78-L81 VanDerWaalsContact O-CB 3.27Å; L78-L81 WeakPolarHBondContact O-CB 3.4Å; L78-L81 PolarHBondContact O-N 3.07Å; L78-L81 VanDerWaalsContact O-N 3.07Å; L81-L83 PolarHBondContact O-N 2.94Å; L81-W84 PolarHBondContact O-N 3.1Å; L81-W84 VanDerWaalsContact O-N 3.07Å; L81-A85 PolarHBondContact O-N 3.19Å; L81-Y292 HydrophobicContact CD1-CD2 3.99Å; L81-Y292 HydrophobicContact CD1-CE2 4.1Å |
| 82 | P | 96.3 | Very high | 94.4 | Very high | 56 Ų | 56 | 37.4 Ų | 37.4 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.3 | -31.5 | 174.4 | -27.8 | 36.9 | 0 | 0 | 0 | 114.1 | F39 L78 I79 T80 W84 A85 A86 | F39-P82 HydrophobicContact CD2-CG 3.88Å; F39-P82 HydrophobicContact CE2-CG 3.83Å; F39-P82 HydrophobicContact CG-CG 4.31Å; F39-P82 HydrophobicContact CZ-CG 4.23Å; L78-P82 WeakPolarHBondContact O-CD 3.5Å; I79-P82 WeakPolarHBondContact O-CD 3.23Å; T80-P82 VanDerWaalsContact C-CD 3.49Å; P82-W84 VanDerWaalsContact C-N 3.33Å; P82-W84 PolarHBondContact O-N 3.3Å; P82-A85 PolarHBondContact O-N 3.08Å; P82-A86 WeakPolarHBondContact O-CB 3.28Å; P82-A86 PolarHBondContact O-N 3.12Å |
| 83 | L | 96.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 38.8 Ų | 38.8 | 17% | 0.168 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.9 | -68.3 | 93.6 | 0 | 0 | 0 | 111 | T80 L81 Y87 W94 F96 L100 | T80-L83 WeakPolarHBondContact O-CB 3.3Å; T80-L83 WeakPolarHBondContact O-CD1 3.39Å; T80-L83 PolarHBondContact O-N 2.86Å; T80-L83 VanDerWaalsContact O-N 3.16Å; L81-L83 PolarHBondContact O-N 2.94Å; L83-Y87 VanDerWaalsContact O-CB 3.22Å; L83-Y87 WeakPolarHBondContact O-CB 3.33Å; L83-Y87 PolarHBondContact O-N 3.45Å; L83-W94 HydrophobicContact CB-CH2 3.94Å; L83-W94 HydrophobicContact CB-CZ3 4.34Å; L83-W94 HydrophobicContact CD2-CH2 3.92Å; L83-W94 HydrophobicContact CD2-CZ2 4.13Å; L83-F96 HydrophobicContact CB-CD2 4.42Å; L83-F96 HydrophobicContact CB-CE2 4.35Å; L83-F96 HydrophobicContact CD2-CB 4.19Å; L83-F96 HydrophobicContact CD2-CD1 4.5Å; L83-F96 HydrophobicContact CD2-CD2 4.16Å; L83-F96 HydrophobicContact CD2-CG 4.03Å; L83-L100 HydrophobicContact CD2-CB 3.93Å; L83-L100 HydrophobicContact CD2-CD1 4.09Å; L83-L100 HydrophobicContact CD2-CD2 4.29Å; L83-L100 HydrophobicContact CD2-CG 4.33Å |
| 84 | W | 95.4 | Very high | 94.5 | Very high | 22 Ų | 22 | 39 Ų | 39 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.2 | -32.8 | 177.9 | -61.9 | 111 | 0 | 0 | 0 | 112.8 | Y35 L81 P82 Y87 T88 W94 A104 S105 I108 | Y35-W84 HydrophobicContact CD2-CB 4.14Å; Y35-W84 HydrophobicContact CE2-CB 3.9Å; L81-W84 PolarHBondContact O-N 3.1Å; L81-W84 VanDerWaalsContact O-N 3.07Å; P82-W84 VanDerWaalsContact C-N 3.33Å; P82-W84 PolarHBondContact O-N 3.3Å; W84-Y87 HydrophobicContact CE3-CD1 4.04Å; W84-Y87 HydrophobicContact CE3-CG 4.49Å; W84-Y87 HydrophobicContact CZ3-CD1 4.35Å; W84-T88 WeakPolarHBondContact O-CB 3.36Å; W84-T88 PolarHBondContact O-N 3.36Å; W84-T88 PolarHBondContact O-OG1 3.11Å; W84-W94 HydrophobicContact CD2-CZ3 4.47Å; W84-W94 HydrophobicContact CE3-CZ3 4.07Å; W84-W94 HydrophobicContact CH2-CZ3 4.25Å; W84-W94 HydrophobicContact CZ3-CE3 4.49Å; W84-W94 AromaticContact CZ3-CZ3 3.95Å; W84-W94 HydrophobicContact CZ3-CZ3 3.95Å; W84-A104 HydrophobicContact CZ2-CB 3.8Å; W84-S105 WeakPolarHBondContact CH2-OG 3.29Å; W84-I108 HydrophobicContact CD2-CD1 4.13Å; W84-I108 HydrophobicContact CG-CD1 4.47Å; W84-I108 HydrophobicContact CH2-CD1 4.46Å; W84-I108 HydrophobicContact CZ2-CD1 3.57Å; W84-I108 VanDerWaalsContact NE1-CD1 3.27Å |
| 85 | A | 96.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -50 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P32 Y35 L81 P82 T88 A89 | P32-A85 HydrophobicContact CB-CB 4.31Å; P32-A85 WeakPolarHBondContact CG-O 3.36Å; Y35-A85 HydrophobicContact CD2-CB 4.18Å; L81-A85 PolarHBondContact O-N 3.19Å; P82-A85 PolarHBondContact O-N 3.08Å; A85-T88 PolarHBondContact O-N 3.27Å; A85-A89 WeakPolarHBondContact O-CB 3.42Å; A85-A89 PolarHBondContact O-N 3.38Å |
| 86 | A | 96.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P82 T88 A89 M90 F96 | P82-A86 WeakPolarHBondContact O-CB 3.28Å; P82-A86 PolarHBondContact O-N 3.12Å; A86-T88 VanDerWaalsContact C-N 3.32Å; A86-T88 PolarHBondContact O-N 3.37Å; A86-A89 PolarHBondContact O-N 3.22Å; A86-M90 WeakPolarHBondContact O-CB 3.42Å; A86-M90 VanDerWaalsContact O-CG 3.31Å; A86-M90 WeakPolarHBondContact O-CG 3.3Å; A86-M90 PolarHBondContact O-N 3.1Å; A86-F96 HydrophobicContact CB-CE2 4.29Å; A86-F96 HydrophobicContact CB-CZ 3.72Å |
| 87 | Y | 95.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 13% | 0.125 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.8 | -47.5 | 174.2 | 170.7 | -107.4 | 0 | 0 | 0 | 112.2 | L83 W84 M90 Y92 Q93 W94 | L83-Y87 VanDerWaalsContact O-CB 3.22Å; L83-Y87 WeakPolarHBondContact O-CB 3.33Å; L83-Y87 PolarHBondContact O-N 3.45Å; W84-Y87 HydrophobicContact CE3-CD1 4.04Å; W84-Y87 HydrophobicContact CE3-CG 4.49Å; W84-Y87 HydrophobicContact CZ3-CD1 4.35Å; Y87-M90 PolarHBondContact O-N 2.87Å; Y87-Y92 AromaticContact CD1-CD1 3.98Å; Y87-Y92 HydrophobicContact CD1-CD1 3.98Å; Y87-Y92 AromaticContact CE1-CD1 3.41Å; Y87-Y92 HydrophobicContact CE1-CD1 3.41Å; Y87-Y92 VanDerWaalsContact CE1-CD1 3.41Å; Y87-Y92 HydrophobicContact CE1-CE1 4.27Å; Y87-Y92 HydrophobicContact CE1-CG 4.21Å; Y87-Y92 WeakPolarHBondContact CE2-O 3.38Å; Y87-Y92 AromaticContact CZ-CD1 3.89Å; Y87-Y92 WeakPolarHBondContact O-CA 3.25Å; Y87-Y92 PolarHBondContact O-N 3.31Å; Y87-Q93 WeakPolarHBondContact CD2-O 3.31Å; Y87-W94 HydrophobicContact CD2-CB 3.99Å; Y87-W94 HydrophobicContact CD2-CD2 4.46Å; Y87-W94 AromaticContact CD2-CE3 3.63Å; Y87-W94 HydrophobicContact CD2-CE3 3.63Å; Y87-W94 HydrophobicContact CE2-CB 4.06Å; Y87-W94 HydrophobicContact CE2-CE3 4.29Å; Y87-W94 AromaticContact CG-CE3 3.97Å; Y87-W94 HydrophobicContact CG-CE3 3.97Å; Y87-W94 HydrophobicContact CG-CZ3 4.44Å |
| 88 | T | 94.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.1 | -33.7 | -178.6 | -47.8 | 0 | 0 | 0 | 0 | 111.9 | I27 Y28 V31 P32 W84 A85 A86 M90 E91 Y92 | I27-T88 HydrophobicContact CG2-CG2 4.16Å; Y28-T88 VanDerWaalsContact CD1-O 3.25Å; Y28-T88 WeakPolarHBondContact CD1-O 3.38Å; V31-T88 HydrophobicContact CB-CG2 3.94Å; V31-T88 HydrophobicContact CG1-CG2 3.92Å; P32-T88 HydrophobicContact CG-CG2 4.23Å; W84-T88 WeakPolarHBondContact O-CB 3.36Å; W84-T88 PolarHBondContact O-N 3.36Å; W84-T88 PolarHBondContact O-OG1 3.11Å; A85-T88 PolarHBondContact O-N 3.27Å; A86-T88 VanDerWaalsContact C-N 3.32Å; A86-T88 PolarHBondContact O-N 3.37Å; T88-M90 VanDerWaalsContact C-N 3.32Å; T88-E91 PolarHBondContact O-N 3.11Å; T88-Y92 HydrophobicContact CG2-CD1 4.48Å; T88-Y92 HydrophobicContact CG2-CE1 3.89Å |
| 89 | A | 96.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 48.4 Ų | 48.4 | 45% | 0.446 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.5 | -31.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P32 A85 A86 E91 | P32-A89 HydrophobicContact CB-CB 4.2Å; P32-A89 HydrophobicContact CG-CB 3.8Å; A85-A89 WeakPolarHBondContact O-CB 3.42Å; A85-A89 PolarHBondContact O-N 3.38Å; A86-A89 PolarHBondContact O-N 3.22Å; A89-E91 PolarHBondContact O-N 3.41Å |
| 90 | M | 95.3 | Very high | 94.8 | Very high | 101 Ų | 101 | 46.6 Ų | 46.6 | 50% | 0.498 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 31.8 | 175 | -63.7 | 178.5 | 129.4 | 0 | 0 | 112.2 | A86 Y87 T88 Y92 Q93 P95 | A86-M90 WeakPolarHBondContact O-CB 3.42Å; A86-M90 VanDerWaalsContact O-CG 3.31Å; A86-M90 WeakPolarHBondContact O-CG 3.3Å; A86-M90 PolarHBondContact O-N 3.1Å; Y87-M90 PolarHBondContact O-N 2.87Å; T88-M90 VanDerWaalsContact C-N 3.32Å; M90-Y92 VanDerWaalsContact C-N 3.27Å; M90-Y92 PolarHBondContact O-N 3.36Å; M90-Q93 HydrophobicContact CB-CB 4.12Å; M90-Q93 VanDerWaalsContact O-CB 3.23Å; M90-Q93 WeakPolarHBondContact O-CB 3.47Å; M90-Q93 PolarHBondContact O-N 3.33Å; M90-P95 HydrophobicContact SD-CG 4.01Å |
| 91 | E | 93.7 | Very high | 94.9 | Very high | 108 Ų | 108 | 45.4 Ų | 45.4 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 41.5 | 178.1 | -48.9 | -167.6 | -178.6 | 0 | 0 | 114.1 | R23 Y28 T88 A89 M177 | R23-E91 PolarHBondContact NH2-O 3.12Å; R23-E91 VanDerWaalsContact NH2-O 3.08Å; Y28-E91 HydrophobicContact CD2-CB 4.31Å; Y28-E91 HydrophobicContact CD2-CG 3.68Å; Y28-E91 HydrophobicContact CE1-CB 4.19Å; Y28-E91 HydrophobicContact CE2-CB 3.89Å; Y28-E91 HydrophobicContact CE2-CG 3.61Å; Y28-E91 HydrophobicContact CG-CG 4.19Å; T88-E91 PolarHBondContact O-N 3.11Å; A89-E91 PolarHBondContact O-N 3.41Å; E91-M177 VanDerWaalsContact O-CE 3.28Å; E91-M177 WeakPolarHBondContact O-CE 3.35Å |
| 92 | Y | 92.1 | Very high | 94.9 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 12% | 0.122 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 24.2 | -176.8 | -53.5 | -59.3 | 0 | 0 | 0 | 115.4 | G22 R23 I27 Y28 Y87 T88 M90 M177 | G22-Y92 WeakPolarHBondContact O-CE2 3.38Å; G22-Y92 PolarHBondContact O-OH 3.49Å; R23-Y92 HydrophobicContact CG-CD2 4.38Å; R23-Y92 HydrophobicContact CG-CE2 4.39Å; I27-Y92 WeakPolarHBondContact CG2-OH 3.29Å; Y28-Y92 AromaticContact CE1-CD2 3.81Å; Y28-Y92 HydrophobicContact CE1-CD2 3.81Å; Y28-Y92 AromaticContact CE1-CE2 3.59Å; Y28-Y92 HydrophobicContact CE1-CE2 3.59Å; Y87-Y92 AromaticContact CD1-CD1 3.98Å; Y87-Y92 HydrophobicContact CD1-CD1 3.98Å; Y87-Y92 AromaticContact CE1-CD1 3.41Å; Y87-Y92 HydrophobicContact CE1-CD1 3.41Å; Y87-Y92 VanDerWaalsContact CE1-CD1 3.41Å; Y87-Y92 HydrophobicContact CE1-CE1 4.27Å; Y87-Y92 HydrophobicContact CE1-CG 4.21Å; Y87-Y92 WeakPolarHBondContact CE2-O 3.38Å; Y87-Y92 AromaticContact CZ-CD1 3.89Å; Y87-Y92 WeakPolarHBondContact O-CA 3.25Å; Y87-Y92 PolarHBondContact O-N 3.31Å; T88-Y92 HydrophobicContact CG2-CD1 4.48Å; T88-Y92 HydrophobicContact CG2-CE1 3.89Å; M90-Y92 VanDerWaalsContact C-N 3.27Å; M90-Y92 PolarHBondContact O-N 3.36Å; Y92-M177 WeakPolarHBondContact O-CE 3.31Å |
| 93 | Q | 94.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | trans | -83.2 | 132.2 | 170.6 | -170.3 | 170.4 | -26.7 | 0 | 0 | 111.2 | Y87 M90 P95 M177 | Y87-Q93 WeakPolarHBondContact CD2-O 3.31Å; M90-Q93 HydrophobicContact CB-CB 4.12Å; M90-Q93 VanDerWaalsContact O-CB 3.23Å; M90-Q93 WeakPolarHBondContact O-CB 3.47Å; M90-Q93 PolarHBondContact O-N 3.33Å; Q93-P95 WeakPolarHBondContact O-CD 3.39Å; Q93-M177 HydrophobicContact CB-CE 3.92Å | ||
| 94 | W | 95.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | trans | -107.2 | 96.1 | 179.2 | -172.8 | -89.7 | 0 | 0 | 0 | 112.3 | L83 W84 Y87 F96 G97 L100 C101 A104 T178 C180 | L83-W94 HydrophobicContact CB-CH2 3.94Å; L83-W94 HydrophobicContact CB-CZ3 4.34Å; L83-W94 HydrophobicContact CD2-CH2 3.92Å; L83-W94 HydrophobicContact CD2-CZ2 4.13Å; W84-W94 HydrophobicContact CD2-CZ3 4.47Å; W84-W94 HydrophobicContact CE3-CZ3 4.07Å; W84-W94 HydrophobicContact CH2-CZ3 4.25Å; W84-W94 HydrophobicContact CZ3-CE3 4.49Å; W84-W94 AromaticContact CZ3-CZ3 3.95Å; W84-W94 HydrophobicContact CZ3-CZ3 3.95Å; Y87-W94 HydrophobicContact CD2-CB 3.99Å; Y87-W94 HydrophobicContact CD2-CD2 4.46Å; Y87-W94 AromaticContact CD2-CE3 3.63Å; Y87-W94 HydrophobicContact CD2-CE3 3.63Å; Y87-W94 HydrophobicContact CE2-CB 4.06Å; Y87-W94 HydrophobicContact CE2-CE3 4.29Å; Y87-W94 AromaticContact CG-CE3 3.97Å; Y87-W94 HydrophobicContact CG-CE3 3.97Å; Y87-W94 HydrophobicContact CG-CZ3 4.44Å; W94-F96 AromaticContact CD2-CD2 3.85Å; W94-F96 HydrophobicContact CD2-CD2 3.85Å; W94-F96 AromaticContact CE2-CD2 3.75Å; W94-F96 AromaticContact CE3-CD2 3.94Å; W94-F96 HydrophobicContact CE3-CD2 3.94Å; W94-F96 HydrophobicContact CE3-CE2 4.45Å; W94-F96 AromaticContact CH2-CD2 3.87Å; W94-F96 HydrophobicContact CH2-CD2 3.87Å; W94-F96 HydrophobicContact CZ2-CB 3.76Å; W94-F96 AromaticContact CZ2-CD2 3.75Å; W94-F96 HydrophobicContact CZ2-CD2 3.75Å; W94-F96 HydrophobicContact CZ2-CG 4.2Å; W94-F96 AromaticContact CZ3-CD2 3.96Å; W94-F96 HydrophobicContact CZ3-CD2 3.96Å; W94-F96 HydrophobicContact CZ3-CE2 4.44Å; W94-G97 PolarHBondContact NE1-O 3.45Å; W94-L100 HydrophobicContact CZ2-CB 4.03Å; W94-C101 VanDerWaalsContact CZ2-CA 3.43Å; W94-C101 HydrophobicContact CZ2-CB 4.07Å; W94-C101 VanDerWaalsContact CZ2-N 3.32Å; W94-A104 HydrophobicContact CH2-CB 4.14Å; W94-T178 PolarHBondContact N-O 2.93Å; W94-C180 HydrophobicContact CB-CB 3.91Å; W94-C180 HydrophobicContact CD2-CB 3.59Å; W94-C180 HydrophobicContact CE3-CB 3.9Å; W94-C180 HydrophobicContact CG-CB 3.57Å | ||
| 95 | P | 94.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 47.4 Ų | 47.4 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | trans | -87.6 | -7.5 | 179.6 | 34.6 | -37.5 | 0 | 0 | 0 | 114.3 | M90 Q93 G97 | M90-P95 HydrophobicContact SD-CG 4.01Å; Q93-P95 WeakPolarHBondContact O-CD 3.39Å; P95-G97 VanDerWaalsContact C-N 3.29Å; P95-G97 PolarHBondContact O-N 2.82Å | ||
| 96 | F | 94.8 | Very high | 94.3 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -84.5 | 5.7 | -166.3 | -48.1 | -70.9 | 0 | 0 | 0 | 115.1 | L83 A86 W94 L100 | L83-F96 HydrophobicContact CB-CD2 4.42Å; L83-F96 HydrophobicContact CB-CE2 4.35Å; L83-F96 HydrophobicContact CD2-CB 4.19Å; L83-F96 HydrophobicContact CD2-CD1 4.5Å; L83-F96 HydrophobicContact CD2-CD2 4.16Å; L83-F96 HydrophobicContact CD2-CG 4.03Å; A86-F96 HydrophobicContact CB-CE2 4.29Å; A86-F96 HydrophobicContact CB-CZ 3.72Å; W94-F96 AromaticContact CD2-CD2 3.85Å; W94-F96 HydrophobicContact CD2-CD2 3.85Å; W94-F96 AromaticContact CE2-CD2 3.75Å; W94-F96 AromaticContact CE3-CD2 3.94Å; W94-F96 HydrophobicContact CE3-CD2 3.94Å; W94-F96 HydrophobicContact CE3-CE2 4.45Å; W94-F96 AromaticContact CH2-CD2 3.87Å; W94-F96 HydrophobicContact CH2-CD2 3.87Å; W94-F96 HydrophobicContact CZ2-CB 3.76Å; W94-F96 AromaticContact CZ2-CD2 3.75Å; W94-F96 HydrophobicContact CZ2-CD2 3.75Å; W94-F96 HydrophobicContact CZ2-CG 4.2Å; W94-F96 AromaticContact CZ3-CD2 3.96Å; W94-F96 HydrophobicContact CZ3-CD2 3.96Å; W94-F96 HydrophobicContact CZ3-CE2 4.44Å; F96-L100 HydrophobicContact CB-CB 3.98Å; F96-L100 HydrophobicContact CB-CD1 3.83Å; F96-L100 WeakPolarHBondContact O-CD1 3.4Å |
| 97 | G | 93.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | 75 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | W94 P95 C101 | W94-G97 PolarHBondContact NE1-O 3.45Å; P95-G97 VanDerWaalsContact C-N 3.29Å; P95-G97 PolarHBondContact O-N 2.82Å; G97-C101 PolarHBondContact O-N 2.98Å |
| 98 | N | 92.8 | Very high | 93.8 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.6 | -38.4 | -170.4 | -162.5 | 32.2 | 0 | 0 | 0 | 113.4 | C101 K102 N168 I169 | N98-C101 WeakPolarHBondContact O-CB 3.45Å; N98-C101 PolarHBondContact O-N 3.05Å; N98-K102 PolarHBondContact O-N 2.71Å; N98-N168 PolarHBondContact ND2-OD1 2.91Å; N98-N168 WeakPolarHBondContact OD1-CA 3.23Å; N98-I169 HydrophobicContact CB-CD1 4.14Å; N98-I169 HydrophobicContact CB-CG1 4.1Å; N98-I169 HydrophobicContact CB-CG2 4.49Å; N98-I169 PolarHBondContact OD1-N 3.02Å |
| 99 | C | 93.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60 | -51.2 | -179.5 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | C101 K102 L103 | C99-C101 VanDerWaalsContact C-N 3.32Å; C99-C101 PolarHBondContact O-N 3.09Å; C99-K102 PolarHBondContact O-N 2.9Å; C99-L103 WeakPolarHBondContact O-CG 3.31Å; C99-L103 PolarHBondContact O-N 3.39Å |
| 100 | L | 94.5 | Very high | 93.5 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 40% | 0.403 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -32.6 | 178.4 | -70.7 | 173.2 | 0 | 0 | 0 | 112 | L83 W94 F96 K102 L103 A104 | L83-L100 HydrophobicContact CD2-CB 3.93Å; L83-L100 HydrophobicContact CD2-CD1 4.09Å; L83-L100 HydrophobicContact CD2-CD2 4.29Å; L83-L100 HydrophobicContact CD2-CG 4.33Å; W94-L100 HydrophobicContact CZ2-CB 4.03Å; F96-L100 HydrophobicContact CB-CB 3.98Å; F96-L100 HydrophobicContact CB-CD1 3.83Å; F96-L100 WeakPolarHBondContact O-CD1 3.4Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.36Å; L100-L103 PolarHBondContact O-N 3.18Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-A104 PolarHBondContact O-N 2.85Å |
| 101 | C | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 173.3 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | W94 G97 N98 C99 S105 I169 C180 | W94-C101 VanDerWaalsContact CZ2-CA 3.43Å; W94-C101 HydrophobicContact CZ2-CB 4.07Å; W94-C101 VanDerWaalsContact CZ2-N 3.32Å; G97-C101 PolarHBondContact O-N 2.98Å; N98-C101 WeakPolarHBondContact O-CB 3.45Å; N98-C101 PolarHBondContact O-N 3.05Å; C99-C101 VanDerWaalsContact C-N 3.32Å; C99-C101 PolarHBondContact O-N 3.09Å; C101-S105 WeakPolarHBondContact O-CB 3.49Å; C101-S105 PolarHBondContact O-N 2.92Å; C101-S105 PolarHBondContact O-OG 2.81Å; C101-I169 HydrophobicContact CB-CG2 4.07Å; C101-C180 WeakPolarHBondContact CA-SG 3.26Å; C101-C180 HydrophobicContact CB-CB 3.87Å; C101-C180 WeakPolarHBondContact CB-SG 3.33Å; C101-C180 WeakPolarHBondContact SG-CB 3.32Å; C101-C180 CovalentContact SG-SG 2.02Å; C101-C180 PolarHBondContact SG-SG 3.42Å |
| 102 | K | 94.2 | Very high | 93.2 | Very high | 41 Ų | 41 | 36 Ų | 36 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.1 | -51.1 | 177.7 | -70.6 | 174.9 | -179.9 | -68.6 | 0 | 111.8 | N98 C99 L100 S105 A106 I164 I165 R167 N168 | N98-K102 PolarHBondContact O-N 2.71Å; C99-K102 PolarHBondContact O-N 2.9Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.36Å; K102-S105 PolarHBondContact O-N 3.46Å; K102-A106 WeakPolarHBondContact O-CB 3.48Å; K102-A106 PolarHBondContact O-N 3.5Å; K102-I164 WeakPolarHBondContact CD-O 3.48Å; K102-I164 PolarHBondContact NZ-O 3.33Å; K102-I165 PolarHBondContact NZ-O 2.81Å; K102-R167 WeakPolarHBondContact CE-O 3.43Å; K102-R167 HydrophobicContact CG-CB 4.49Å; K102-R167 VanDerWaalsContact CG-O 3.3Å; K102-R167 WeakPolarHBondContact CG-O 3.44Å; K102-R167 PolarHBondContact NZ-O 3.25Å; K102-N168 VanDerWaalsContact CE-OD1 3.28Å; K102-N168 WeakPolarHBondContact CE-OD1 3.44Å; K102-N168 PolarHBondContact NZ-OD1 3.31Å |
| 103 | L | 93.2 | Very high | 93.3 | Very high | 100 Ų | 100 | 34.6 Ų | 34.6 | 52% | 0.524 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.1 | -45.2 | -176.4 | -71.9 | 175.8 | 0 | 0 | 0 | 112.7 | C99 L100 S105 A106 G107 | C99-L103 WeakPolarHBondContact O-CG 3.31Å; C99-L103 PolarHBondContact O-N 3.39Å; L100-L103 PolarHBondContact O-N 3.18Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 2.92Å; L103-A106 PolarHBondContact O-N 2.92Å; L103-G107 PolarHBondContact O-N 3.44Å |
| 104 | A | 94.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W84 W94 L100 G107 I108 | W84-A104 HydrophobicContact CZ2-CB 3.8Å; W94-A104 HydrophobicContact CH2-CB 4.14Å; L100-A104 WeakPolarHBondContact O-CB 3.38Å; L100-A104 PolarHBondContact O-N 2.85Å; A104-G107 PolarHBondContact O-N 3.36Å; A104-I108 PolarHBondContact O-N 3.36Å |
| 105 | S | 92.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 30 Ų | 30 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -39.4 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | W84 C101 K102 L103 I108 S109 R167 | W84-S105 WeakPolarHBondContact CH2-OG 3.29Å; C101-S105 WeakPolarHBondContact O-CB 3.49Å; C101-S105 PolarHBondContact O-N 2.92Å; C101-S105 PolarHBondContact O-OG 2.81Å; K102-S105 PolarHBondContact O-N 3.46Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 2.92Å; S105-I108 PolarHBondContact O-N 3.35Å; S105-S109 PolarHBondContact O-N 3.3Å; S105-R167 VanDerWaalsContact OG-CD 3.25Å; S105-R167 WeakPolarHBondContact OG-CD 3.34Å; S105-R167 PolarHBondContact OG-NE 3.37Å |
| 106 | A | 92.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 7% | 0.066 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K102 L103 I108 S109 F110 I164 | K102-A106 WeakPolarHBondContact O-CB 3.48Å; K102-A106 PolarHBondContact O-N 3.5Å; L103-A106 PolarHBondContact O-N 2.92Å; A106-I108 VanDerWaalsContact C-N 3.31Å; A106-I108 PolarHBondContact O-N 3.22Å; A106-S109 PolarHBondContact O-N 2.86Å; A106-S109 VanDerWaalsContact O-N 3.14Å; A106-F110 WeakPolarHBondContact O-CB 3.24Å; A106-F110 PolarHBondContact O-N 3.25Å; A106-I164 HydrophobicContact CB-CD1 3.89Å; A106-I164 HydrophobicContact CB-CG1 3.36Å |
| 107 | G | 92.2 | Very high | 93.1 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 19% | 0.186 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.3 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L103 A104 N111 | L103-G107 PolarHBondContact O-N 3.44Å; A104-G107 PolarHBondContact O-N 3.36Å; G107-N111 WeakPolarHBondContact O-CB 3.15Å; G107-N111 PolarHBondContact O-N 3.11Å |
| 108 | I | 90.1 | Very high | 93.1 | Very high | 34 Ų | 34 | 23.8 Ų | 23.8 | 17% | 0.174 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.9 | -54.3 | 172.7 | -68.2 | 166.2 | 0 | 0 | 0 | 111 | F77 W84 A104 S105 A106 F110 N111 L112 Y292 | F77-I108 HydrophobicContact CD2-CG1 4.01Å; F77-I108 HydrophobicContact CE2-CG1 3.81Å; W84-I108 HydrophobicContact CD2-CD1 4.13Å; W84-I108 HydrophobicContact CG-CD1 4.47Å; W84-I108 HydrophobicContact CH2-CD1 4.46Å; W84-I108 HydrophobicContact CZ2-CD1 3.57Å; W84-I108 VanDerWaalsContact NE1-CD1 3.27Å; A104-I108 PolarHBondContact O-N 3.36Å; S105-I108 PolarHBondContact O-N 3.35Å; A106-I108 VanDerWaalsContact C-N 3.31Å; A106-I108 PolarHBondContact O-N 3.22Å; I108-F110 VanDerWaalsContact C-N 3.29Å; I108-F110 PolarHBondContact O-N 3.03Å; I108-N111 PolarHBondContact O-N 3.44Å; I108-L112 PolarHBondContact O-N 3.39Å; I108-L112 VanDerWaalsContact O-N 3.07Å; I108-Y292 VanDerWaalsContact CD1-OH 3.23Å; I108-Y292 WeakPolarHBondContact CD1-OH 3.5Å; I108-Y292 VanDerWaalsContact CG1-OH 3.28Å; I108-Y292 WeakPolarHBondContact CG1-OH 3.45Å; I108-Y292 HydrophobicContact CG2-CE1 4.23Å; I108-Y292 WeakPolarHBondContact CG2-OH 3.31Å |
| 109 | S | 90.8 | Very high | 93 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | -175.4 | -165.4 | 0 | 0 | 0 | 0 | 111.7 | S105 A106 Y113 | S105-S109 PolarHBondContact O-N 3.3Å; A106-S109 PolarHBondContact O-N 2.86Å; A106-S109 VanDerWaalsContact O-N 3.14Å; S109-Y113 WeakPolarHBondContact O-CD2 3.36Å; S109-Y113 PolarHBondContact O-N 3.02Å; S109-Y113 WeakPolarHBondContact OG-CE2 3.48Å |
| 110 | F | 93.8 | Very high | 93 | Very high | 35 Ų | 35 | 18.9 Ų | 18.9 | 15% | 0.154 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | 176.9 | -179.3 | -85.2 | 0 | 0 | 0 | 110.8 | A106 I108 L112 Y113 A114 W153 A156 | A106-F110 WeakPolarHBondContact O-CB 3.24Å; A106-F110 PolarHBondContact O-N 3.25Å; I108-F110 VanDerWaalsContact C-N 3.29Å; I108-F110 PolarHBondContact O-N 3.03Å; F110-L112 PolarHBondContact O-N 3.26Å; F110-Y113 PolarHBondContact O-N 3.22Å; F110-A114 HydrophobicContact CD1-CB 4.3Å; F110-A114 HydrophobicContact CE1-CB 3.74Å; F110-A114 HydrophobicContact CZ-CB 4.06Å; F110-A114 VanDerWaalsContact O-CB 3.25Å; F110-A114 WeakPolarHBondContact O-CB 3.46Å; F110-A114 PolarHBondContact O-N 2.88Å; F110-W153 HydrophobicContact CD1-CZ3 4.33Å; F110-W153 HydrophobicContact CE1-CD2 4.32Å; F110-W153 AromaticContact CE1-CE3 3.44Å; F110-W153 HydrophobicContact CE1-CE3 3.44Å; F110-W153 VanDerWaalsContact CE1-CE3 3.44Å; F110-W153 AromaticContact CE1-CH2 3.97Å; F110-W153 HydrophobicContact CE1-CH2 3.97Å; F110-W153 AromaticContact CE1-CZ3 3.2Å; F110-W153 HydrophobicContact CE1-CZ3 3.2Å; F110-W153 HydrophobicContact CE2-CE3 4.09Å; F110-W153 WeakPolarHBondContact CE2-O 3.23Å; F110-W153 HydrophobicContact CZ-CB 4.49Å; F110-W153 AromaticContact CZ-CD2 3.81Å; F110-W153 HydrophobicContact CZ-CD2 3.81Å; F110-W153 AromaticContact CZ-CE3 3.04Å; F110-W153 HydrophobicContact CZ-CE3 3.04Å; F110-W153 HydrophobicContact CZ-CG 4.46Å; F110-W153 HydrophobicContact CZ-CH2 4.4Å; F110-W153 AromaticContact CZ-CZ3 3.4Å; F110-W153 HydrophobicContact CZ-CZ3 3.4Å; F110-A156 HydrophobicContact CD2-CB 3.9Å; F110-A156 HydrophobicContact CE2-CB 3.57Å; F110-A156 HydrophobicContact CZ-CB 3.91Å |
| 111 | N | 93.1 | Very high | 93 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 178.1 | 173.8 | -98.3 | 0 | 0 | 0 | 111.7 | A73 D74 F77 G107 I108 Y113 A114 S115 N295 | A73-N111 VanDerWaalsContact C-ND2 3.25Å; A73-N111 PolarHBondContact O-ND2 2.93Å; D74-N111 WeakPolarHBondContact CA-ND2 3.33Å; D74-N111 PolarHBondContact N-ND2 2.79Å; D74-N111 PolarHBondContact OD1-ND2 2.74Å; F77-N111 HydrophobicContact CB-CB 3.55Å; F77-N111 HydrophobicContact CG-CB 4.11Å; G107-N111 WeakPolarHBondContact O-CB 3.15Å; G107-N111 PolarHBondContact O-N 3.11Å; I108-N111 PolarHBondContact O-N 3.44Å; N111-Y113 PolarHBondContact O-N 2.87Å; N111-A114 PolarHBondContact O-N 3.46Å; N111-S115 PolarHBondContact ND2-OG 3.19Å; N111-S115 WeakPolarHBondContact O-CB 3.49Å; N111-S115 PolarHBondContact O-N 3.21Å; N111-S115 PolarHBondContact O-OG 3.49Å; N111-S115 VanDerWaalsContact O-OG 3.09Å; N111-N295 PolarHBondContact OD1-ND2 3.46Å; N111-N295 VanDerWaalsContact OD1-ND2 3.12Å |
| 112 | L | 90.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 16.8 Ų | 16.8 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -50.7 | -55.8 | 174.6 | 167 | 67.4 | 0 | 0 | 0 | 111.7 | I108 F110 V116 W253 | I108-L112 PolarHBondContact O-N 3.39Å; I108-L112 VanDerWaalsContact O-N 3.07Å; F110-L112 PolarHBondContact O-N 3.26Å; L112-V116 WeakPolarHBondContact O-CB 3.32Å; L112-V116 PolarHBondContact O-N 2.96Å; L112-V116 VanDerWaalsContact O-N 3.1Å; L112-W253 HydrophobicContact CB-CH2 3.97Å; L112-W253 HydrophobicContact CD1-CD2 4.01Å; L112-W253 HydrophobicContact CD1-CE3 3.69Å; L112-W253 HydrophobicContact CD1-CH2 3.49Å; L112-W253 VanDerWaalsContact CD1-CH2 3.49Å; L112-W253 HydrophobicContact CD1-CZ2 3.81Å; L112-W253 HydrophobicContact CD1-CZ3 3.45Å; L112-W253 VanDerWaalsContact CD1-CZ3 3.45Å; L112-W253 HydrophobicContact CG-CH2 4.24Å; L112-W253 HydrophobicContact CG-CZ3 4.36Å |
| 113 | Y | 93.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.9 | -45.5 | -176.7 | -70.4 | -60 | 0 | 0 | 0 | 112.2 | S109 F110 N111 S115 V116 F117 A159 K199 L202 | S109-Y113 WeakPolarHBondContact O-CD2 3.36Å; S109-Y113 PolarHBondContact O-N 3.02Å; S109-Y113 WeakPolarHBondContact OG-CE2 3.48Å; F110-Y113 PolarHBondContact O-N 3.22Å; N111-Y113 PolarHBondContact O-N 2.87Å; Y113-S115 PolarHBondContact O-N 2.94Å; Y113-V116 PolarHBondContact O-N 3.24Å; Y113-F117 HydrophobicContact CD1-CE2 4.4Å; Y113-F117 HydrophobicContact CD1-CZ 4.07Å; Y113-F117 WeakPolarHBondContact O-CB 3.41Å; Y113-F117 WeakPolarHBondContact O-CD2 3.46Å; Y113-F117 WeakPolarHBondContact O-CG 3.22Å; Y113-F117 PolarHBondContact O-N 3.05Å; Y113-A159 HydrophobicContact CD1-CB 4.17Å; Y113-A159 HydrophobicContact CD2-CB 3.45Å; Y113-A159 VanDerWaalsContact CD2-CB 3.45Å; Y113-A159 HydrophobicContact CE1-CB 4.19Å; Y113-A159 HydrophobicContact CE2-CB 3.47Å; Y113-A159 VanDerWaalsContact CE2-CB 3.47Å; Y113-A159 WeakPolarHBondContact CE2-O 3.35Å; Y113-A159 HydrophobicContact CG-CB 3.83Å; Y113-K199 WeakPolarHBondContact OH-CA 3.25Å; Y113-K199 WeakPolarHBondContact OH-CG 3.27Å; Y113-L202 HydrophobicContact CE1-CB 4.08Å |
| 114 | A | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A73 F110 N111 F117 L118 A156 | A73-A114 HydrophobicContact CB-CB 4.17Å; F110-A114 HydrophobicContact CD1-CB 4.3Å; F110-A114 HydrophobicContact CE1-CB 3.74Å; F110-A114 HydrophobicContact CZ-CB 4.06Å; F110-A114 VanDerWaalsContact O-CB 3.25Å; F110-A114 WeakPolarHBondContact O-CB 3.46Å; F110-A114 PolarHBondContact O-N 2.88Å; N111-A114 PolarHBondContact O-N 3.46Å; A114-F117 PolarHBondContact O-N 3.13Å; A114-L118 WeakPolarHBondContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CD1 3.37Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.3Å; A114-A156 HydrophobicContact CB-CB 3.92Å |
| 115 | S | 92.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | -179.3 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | L70 D74 N111 Y113 L118 L119 | L70-S115 WeakPolarHBondContact CD1-OG 3.33Å; D74-S115 PolarHBondContact OD1-OG 3.41Å; N111-S115 PolarHBondContact ND2-OG 3.19Å; N111-S115 WeakPolarHBondContact O-CB 3.49Å; N111-S115 PolarHBondContact O-N 3.21Å; N111-S115 PolarHBondContact O-OG 3.49Å; N111-S115 VanDerWaalsContact O-OG 3.09Å; Y113-S115 PolarHBondContact O-N 2.94Å; S115-L118 PolarHBondContact O-N 3.16Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 3.32Å |
| 116 | V | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68.8 | -38.8 | 179.5 | 95.5 | 0 | 0 | 0 | 0 | 112.7 | L112 Y113 L119 T120 P207 F249 | L112-V116 WeakPolarHBondContact O-CB 3.32Å; L112-V116 PolarHBondContact O-N 2.96Å; L112-V116 VanDerWaalsContact O-N 3.1Å; Y113-V116 PolarHBondContact O-N 3.24Å; V116-L119 PolarHBondContact O-N 3.37Å; V116-T120 WeakPolarHBondContact O-CB 2.89Å; V116-T120 PolarHBondContact O-N 3.08Å; V116-T120 PolarHBondContact O-OG1 3.48Å; V116-P207 HydrophobicContact CG1-CB 4.1Å; V116-P207 HydrophobicContact CG1-CG 3.66Å; V116-P207 HydrophobicContact CG2-CB 3.61Å; V116-P207 HydrophobicContact CG2-CG 4.03Å; V116-F249 HydrophobicContact CB-CE1 4.18Å; V116-F249 HydrophobicContact CB-CE2 4.47Å; V116-F249 HydrophobicContact CB-CZ 3.68Å; V116-F249 HydrophobicContact CG2-CD1 4.35Å; V116-F249 HydrophobicContact CG2-CE1 3.35Å; V116-F249 HydrophobicContact CG2-CE2 4.4Å; V116-F249 HydrophobicContact CG2-CZ 3.39Å |
| 117 | F | 95.2 | Very high | 92.2 | Very high | 42 Ų | 42 | 17.2 Ų | 17.2 | 18% | 0.184 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 177.3 | -65 | -23.8 | 0 | 0 | 0 | 111.6 | Y113 A114 T120 C121 I152 L155 L202 P207 | Y113-F117 HydrophobicContact CD1-CE2 4.4Å; Y113-F117 HydrophobicContact CD1-CZ 4.07Å; Y113-F117 WeakPolarHBondContact O-CB 3.41Å; Y113-F117 WeakPolarHBondContact O-CD2 3.46Å; Y113-F117 WeakPolarHBondContact O-CG 3.22Å; Y113-F117 PolarHBondContact O-N 3.05Å; A114-F117 PolarHBondContact O-N 3.13Å; F117-T120 WeakPolarHBondContact O-CB 3.35Å; F117-T120 PolarHBondContact O-N 3.17Å; F117-C121 PolarHBondContact O-N 2.9Å; F117-I152 HydrophobicContact CB-CB 4.47Å; F117-I152 HydrophobicContact CB-CD1 4.4Å; F117-I152 HydrophobicContact CB-CG1 4.05Å; F117-I152 HydrophobicContact CB-CG2 3.71Å; F117-I152 HydrophobicContact CD2-CG2 4.33Å; F117-L155 HydrophobicContact CD2-CB 4.41Å; F117-L155 HydrophobicContact CE2-CB 4.14Å; F117-L202 WeakPolarHBondContact CE1-O 3.2Å; F117-P207 HydrophobicContact CE1-CG 4.42Å |
| 118 | L | 93.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 173.4 | -75.5 | 165.8 | 0 | 0 | 0 | 111.9 | F66 N69 L70 A114 S115 T120 C121 L122 I152 | F66-L118 HydrophobicContact CB-CD2 4.36Å; F66-L118 HydrophobicContact CD1-CD2 4.04Å; N69-L118 HydrophobicContact CB-CD1 3.98Å; N69-L118 HydrophobicContact CB-CD2 3.9Å; L70-L118 HydrophobicContact CB-CD1 4.08Å; L70-L118 HydrophobicContact CD1-CB 4.44Å; L70-L118 HydrophobicContact CD1-CD1 4.25Å; A114-L118 WeakPolarHBondContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CD1 3.37Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.3Å; S115-L118 PolarHBondContact O-N 3.16Å; L118-T120 VanDerWaalsContact C-N 3.3Å; L118-T120 PolarHBondContact O-N 2.93Å; L118-C121 PolarHBondContact O-N 3.3Å; L118-L122 VanDerWaalsContact O-CB 3.26Å; L118-L122 WeakPolarHBondContact O-CB 3.31Å; L118-L122 PolarHBondContact O-N 3.49Å; L118-I152 HydrophobicContact CD2-CD1 3.81Å; L118-I152 HydrophobicContact CG-CD1 4.18Å; L118-I152 HydrophobicContact CG-CG2 4.18Å |
| 119 | L | 90.9 | Very high | 92 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.6 | -35.2 | 175.8 | -70.4 | 176.9 | 0 | 0 | 0 | 112.4 | L70 S115 V116 L122 S123 I211 I245 F249 | L70-L119 HydrophobicContact CD2-CD2 4.02Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 3.32Å; V116-L119 PolarHBondContact O-N 3.37Å; L119-L122 HydrophobicContact CD2-CD2 4.46Å; L119-L122 PolarHBondContact O-N 2.83Å; L119-S123 WeakPolarHBondContact O-CB 3.34Å; L119-S123 PolarHBondContact O-N 2.79Å; L119-S123 PolarHBondContact O-OG 3.35Å; L119-I211 HydrophobicContact CB-CD1 4.26Å; L119-I245 HydrophobicContact CD2-CG2 3.61Å; L119-F249 HydrophobicContact CD1-CB 3.89Å; L119-F249 HydrophobicContact CD1-CD1 4.34Å; L119-F249 HydrophobicContact CD1-CD2 3.24Å; L119-F249 HydrophobicContact CD1-CE2 3.84Å; L119-F249 HydrophobicContact CD1-CG 3.56Å |
| 120 | T | 93.9 | Very high | 91.7 | Very high | 11 Ų | 11 | 20 Ų | 20 | 7% | 0.067 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.1 | -51.6 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | V116 F117 L118 L122 S123 I124 P207 I210 I211 | V116-T120 WeakPolarHBondContact O-CB 2.89Å; V116-T120 PolarHBondContact O-N 3.08Å; V116-T120 PolarHBondContact O-OG1 3.48Å; F117-T120 WeakPolarHBondContact O-CB 3.35Å; F117-T120 PolarHBondContact O-N 3.17Å; L118-T120 VanDerWaalsContact C-N 3.3Å; L118-T120 PolarHBondContact O-N 2.93Å; T120-L122 VanDerWaalsContact C-N 3.32Å; T120-L122 PolarHBondContact O-N 2.98Å; T120-S123 WeakPolarHBondContact O-CB 3.43Å; T120-S123 PolarHBondContact O-N 3.47Å; T120-S123 VanDerWaalsContact O-N 3.15Å; T120-I124 HydrophobicContact CG2-CD1 4.32Å; T120-I124 WeakPolarHBondContact O-CG1 3.38Å; T120-I124 PolarHBondContact O-N 2.87Å; T120-P207 WeakPolarHBondContact OG1-CB 3.38Å; T120-I210 HydrophobicContact CG2-CB 3.99Å; T120-I210 HydrophobicContact CG2-CD1 4.08Å; T120-I210 HydrophobicContact CG2-CG2 3.58Å; T120-I211 HydrophobicContact CG2-CG1 4.49Å |
| 121 | C | 94.4 | Very high | 91.5 | Very high | 31 Ų | 31 | 20 Ų | 20 | 21% | 0.209 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.8 | -71.3 | 0 | 0 | 0 | 0 | 112.4 | F66 F117 L118 S123 I124 D125 T148 I152 | F66-C121 HydrophobicContact CE1-CB 4.38Å; F66-C121 HydrophobicContact CE2-CB 4.3Å; F66-C121 HydrophobicContact CZ-CB 4.11Å; F117-C121 PolarHBondContact O-N 2.9Å; L118-C121 PolarHBondContact O-N 3.3Å; C121-S123 VanDerWaalsContact C-N 3.31Å; C121-S123 PolarHBondContact O-N 2.96Å; C121-I124 PolarHBondContact O-N 3Å; C121-D125 WeakPolarHBondContact O-CB 3.38Å; C121-D125 PolarHBondContact O-N 2.74Å; C121-T148 HydrophobicContact CB-CG2 4.27Å; C121-I152 HydrophobicContact CB-CD1 4.32Å |
| 122 | L | 90.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 174.4 | -177.7 | 63.5 | 0 | 0 | 0 | 111.7 | A63 F66 L67 L118 L119 T120 D125 R126 I242 | A63-L122 HydrophobicContact CB-CD1 3.8Å; F66-L122 HydrophobicContact CB-CD1 4.49Å; F66-L122 HydrophobicContact CD2-CB 4.3Å; F66-L122 HydrophobicContact CD2-CD1 4.18Å; L67-L122 HydrophobicContact CD2-CD2 3.69Å; L118-L122 VanDerWaalsContact O-CB 3.26Å; L118-L122 WeakPolarHBondContact O-CB 3.31Å; L118-L122 PolarHBondContact O-N 3.49Å; L119-L122 HydrophobicContact CD2-CD2 4.46Å; L119-L122 PolarHBondContact O-N 2.83Å; T120-L122 VanDerWaalsContact C-N 3.32Å; T120-L122 PolarHBondContact O-N 2.98Å; L122-D125 WeakPolarHBondContact O-CB 3.26Å; L122-D125 PolarHBondContact O-N 3.37Å; L122-R126 WeakPolarHBondContact O-CG 3.27Å; L122-R126 PolarHBondContact O-N 2.72Å; L122-I242 HydrophobicContact CD1-CD1 4.41Å; L122-I242 HydrophobicContact CD2-CG1 4.34Å; L122-I242 HydrophobicContact CD2-CG2 3.72Å; L122-I242 HydrophobicContact CG-CD1 4.45Å; L122-I242 HydrophobicContact CG-CG2 4Å |
| 123 | S | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 178.4 | -58.5 | 0 | 0 | 0 | 0 | 112 | L119 T120 C121 R126 Y127 Y215 | L119-S123 WeakPolarHBondContact O-CB 3.34Å; L119-S123 PolarHBondContact O-N 2.79Å; L119-S123 PolarHBondContact O-OG 3.35Å; T120-S123 WeakPolarHBondContact O-CB 3.43Å; T120-S123 PolarHBondContact O-N 3.47Å; T120-S123 VanDerWaalsContact O-N 3.15Å; C121-S123 VanDerWaalsContact C-N 3.31Å; C121-S123 PolarHBondContact O-N 2.96Å; S123-R126 PolarHBondContact O-N 2.92Å; S123-Y127 PolarHBondContact O-N 3.07Å; S123-Y215 VanDerWaalsContact OG-CE2 3.3Å; S123-Y215 WeakPolarHBondContact OG-CE2 3.46Å; S123-Y215 PolarHBondContact OG-OH 3.13Å |
| 124 | I | 93 | Very high | 90.7 | Very high | 67 Ų | 67 | 32.4 Ų | 32.4 | 34% | 0.344 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 172.8 | -64.9 | 168.4 | 0 | 0 | 0 | 110.5 | T120 C121 R126 Y127 L128 I210 | T120-I124 HydrophobicContact CG2-CD1 4.32Å; T120-I124 WeakPolarHBondContact O-CG1 3.38Å; T120-I124 PolarHBondContact O-N 2.87Å; C121-I124 PolarHBondContact O-N 3Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 PolarHBondContact O-N 3.01Å; I124-Y127 WeakPolarHBondContact O-CB 3.21Å; I124-Y127 PolarHBondContact O-N 3.22Å; I124-L128 HydrophobicContact CG2-CD1 4.04Å; I124-L128 HydrophobicContact CG2-CG 4.35Å; I124-L128 WeakPolarHBondContact O-CG 3.19Å; I124-L128 PolarHBondContact O-N 3.37Å; I124-I210 HydrophobicContact CD1-CG2 3.97Å; I124-I210 HydrophobicContact CG1-CG2 4.03Å |
| 125 | D | 90.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -42.5 | 177.1 | 173.2 | 76.9 | 0 | 0 | 0 | 111.7 | V62 F66 C121 L122 A129 R140 | V62-D125 VanDerWaalsContact CG1-OD1 3.27Å; V62-D125 WeakPolarHBondContact CG1-OD1 3.48Å; F66-D125 HydrophobicContact CE2-CB 4.17Å; C121-D125 WeakPolarHBondContact O-CB 3.38Å; C121-D125 PolarHBondContact O-N 2.74Å; L122-D125 WeakPolarHBondContact O-CB 3.26Å; L122-D125 PolarHBondContact O-N 3.37Å; D125-A129 WeakPolarHBondContact O-CB 3.49Å; D125-A129 PolarHBondContact O-N 3.25Å; D125-R140 PolarHBondContact O-NE 2.97Å; D125-R140 PolarHBondContact O-NH2 2.9Å; D125-R140 IonicContact OD1-CZ 3.82Å; D125-R140 IonicContact OD1-NE 3.97Å; D125-R140 PolarHBondContact OD1-NE 3.05Å; D125-R140 IonicContact OD1-NH2 3.26Å; D125-R140 PolarHBondContact OD1-NH2 3.41Å; D125-R140 IonicContact OD2-CZ 2.9Å; D125-R140 IonicContact OD2-NH2 3.14Å; D125-R140 PolarHBondContact OD2-NH2 3.18Å |
| 126 | R | 88.7 | Confident | 90.1 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 15% | 0.151 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 175.4 | -71.5 | -54.2 | 92.5 | 173.6 | 4 | 112.8 | L122 S123 I124 L128 A129 I130 R140 I218 I242 | L122-R126 WeakPolarHBondContact O-CG 3.27Å; L122-R126 PolarHBondContact O-N 2.72Å; S123-R126 PolarHBondContact O-N 2.92Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 PolarHBondContact O-N 3.01Å; R126-L128 PolarHBondContact O-N 3.43Å; R126-A129 WeakPolarHBondContact O-CB 3.32Å; R126-A129 PolarHBondContact O-N 3.22Å; R126-I130 WeakPolarHBondContact O-CG1 3.4Å; R126-I130 PolarHBondContact O-N 3.1Å; R126-R140 VanDerWaalsContact NH2-NH2 3.2Å; R126-I218 HydrophobicContact CB-CD1 4.16Å; R126-I242 VanDerWaalsContact CD-CD1 3.44Å; R126-I242 HydrophobicContact CG-CD1 3.48Å; R126-I242 VanDerWaalsContact CG-CD1 3.48Å |
| 127 | Y | 90.6 | Very high | 89.8 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 21% | 0.208 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.8 | -50.8 | 175.5 | 163.6 | -107.6 | 0 | 0 | 0 | 110.9 | S123 I124 A129 I130 V131 H132 L217 I218 | S123-Y127 PolarHBondContact O-N 3.07Å; I124-Y127 WeakPolarHBondContact O-CB 3.21Å; I124-Y127 PolarHBondContact O-N 3.22Å; Y127-A129 VanDerWaalsContact C-N 3.31Å; Y127-A129 PolarHBondContact O-N 3.25Å; Y127-I130 PolarHBondContact O-N 3.24Å; Y127-V131 HydrophobicContact CD2-CB 4.03Å; Y127-V131 HydrophobicContact CD2-CG2 3.52Å; Y127-V131 HydrophobicContact CE2-CB 3.73Å; Y127-V131 HydrophobicContact CE2-CG1 3.91Å; Y127-V131 HydrophobicContact CE2-CG2 3.56Å; Y127-V131 WeakPolarHBondContact O-CB 3.24Å; Y127-V131 WeakPolarHBondContact O-CG2 3.46Å; Y127-V131 PolarHBondContact O-N 3.02Å; Y127-H132 AromaticContact CZ-CD2 3.95Å; Y127-H132 AromaticContact CZ-NE2 3.86Å; Y127-H132 PolarHBondContact OH-NE2 2.9Å; Y127-L217 HydrophobicContact CD2-CB 3.9Å; Y127-L217 HydrophobicContact CD2-CD1 4.32Å; Y127-L217 HydrophobicContact CE2-CB 3.68Å; Y127-L217 HydrophobicContact CE2-CD1 3.71Å; Y127-L217 HydrophobicContact CE2-CG 4.34Å; Y127-I218 HydrophobicContact CD2-CG1 4.27Å |
| 128 | L | 91.3 | Very high | 89.3 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 178.3 | -67.4 | 176.6 | 0 | 0 | 0 | 112.2 | I124 R126 I130 H132 S136 | I124-L128 HydrophobicContact CG2-CD1 4.04Å; I124-L128 HydrophobicContact CG2-CG 4.35Å; I124-L128 WeakPolarHBondContact O-CG 3.19Å; I124-L128 PolarHBondContact O-N 3.37Å; R126-L128 PolarHBondContact O-N 3.43Å; L128-I130 PolarHBondContact O-N 3.47Å; L128-H132 CarbonylContact O-C 3.5Å; L128-H132 WeakPolarHBondContact O-CA 3.33Å; L128-H132 PolarHBondContact O-N 3.34Å; L128-H132 VanDerWaalsContact O-N 3.13Å; L128-S136 PolarHBondContact O-OG 3.23Å |
| 129 | A | 87.1 | Confident | 89 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D125 R126 Y127 P133 R140 | D125-A129 WeakPolarHBondContact O-CB 3.49Å; D125-A129 PolarHBondContact O-N 3.25Å; R126-A129 WeakPolarHBondContact O-CB 3.32Å; R126-A129 PolarHBondContact O-N 3.22Å; Y127-A129 VanDerWaalsContact C-N 3.31Å; Y127-A129 PolarHBondContact O-N 3.25Å; A129-P133 WeakPolarHBondContact O-CB 3.36Å; A129-R140 VanDerWaalsContact CB-CZ 3.49Å |
| 130 | I | 85.6 | Confident | 89 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 16% | 0.164 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -93.9 | -42.8 | -170.3 | -64.5 | 168.7 | 0 | 0 | 0 | 110.6 | R126 Y127 L128 I218 L222 F239 | R126-I130 WeakPolarHBondContact O-CG1 3.4Å; R126-I130 PolarHBondContact O-N 3.1Å; Y127-I130 PolarHBondContact O-N 3.24Å; L128-I130 PolarHBondContact O-N 3.47Å; I130-I218 HydrophobicContact CD1-CD1 4.44Å; I130-I218 HydrophobicContact CD1-CG2 3.84Å; I130-I218 HydrophobicContact CG2-CG2 4.13Å; I130-L222 HydrophobicContact CG2-CD2 3.99Å; I130-L222 HydrophobicContact CG2-CG 4.34Å; I130-F239 HydrophobicContact CD1-CD2 3.9Å; I130-F239 HydrophobicContact CD1-CE2 4.43Å |
| 131 | V | 87.9 | Confident | 88.9 | Confident | 35 Ų | 35 | 70 Ų | 70 | 21% | 0.212 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -87.2 | -34.6 | -174.2 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | Y127 P133 I218 T221 | Y127-V131 HydrophobicContact CD2-CB 4.03Å; Y127-V131 HydrophobicContact CD2-CG2 3.52Å; Y127-V131 HydrophobicContact CE2-CB 3.73Å; Y127-V131 HydrophobicContact CE2-CG1 3.91Å; Y127-V131 HydrophobicContact CE2-CG2 3.56Å; Y127-V131 WeakPolarHBondContact O-CB 3.24Å; Y127-V131 WeakPolarHBondContact O-CG2 3.46Å; Y127-V131 PolarHBondContact O-N 3.02Å; V131-P133 VanDerWaalsContact C-CD 3.44Å; V131-I218 HydrophobicContact CG2-CG1 4.38Å; V131-T221 HydrophobicContact CG1-CG2 4.45Å; V131-T221 HydrophobicContact CG2-CG2 4.2Å |
| 132 | H | 88.8 | Confident | 88.8 | Confident | 72 Ų | 72 | 71 Ų | 71 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -128.5 | 55.8 | -176.7 | -59.2 | -70.8 | 0 | 0 | 0 | 112.9 | Y127 L128 V134 S136 | Y127-H132 AromaticContact CZ-CD2 3.95Å; Y127-H132 AromaticContact CZ-NE2 3.86Å; Y127-H132 PolarHBondContact OH-NE2 2.9Å; L128-H132 CarbonylContact O-C 3.5Å; L128-H132 WeakPolarHBondContact O-CA 3.33Å; L128-H132 PolarHBondContact O-N 3.34Å; L128-H132 VanDerWaalsContact O-N 3.13Å; H132-V134 PolarHBondContact O-N 3.44Å; H132-S136 WeakPolarHBondContact O-CB 3.43Å; H132-S136 PolarHBondContact O-N 2.97Å; H132-S136 PolarHBondContact O-OG 2.92Å |
| 133 | P | 85.6 | Confident | 88.9 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 49% | 0.494 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | -168.5 | 22.4 | -33.4 | 0 | 0 | 0 | 114.4 | A129 V131 | A129-P133 WeakPolarHBondContact O-CB 3.36Å; V131-P133 VanDerWaalsContact C-CD 3.44Å |
| 134 | V | 86.6 | Confident | 89.1 | Confident | 124 Ų | 124 | 81.1 Ų | 81.1 | 75% | 0.752 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -77 | -51.7 | -177.7 | -179.3 | 0 | 0 | 0 | 0 | 111 | H132 S136 | H132-V134 PolarHBondContact O-N 3.44Å; V134-S136 PolarHBondContact O-N 3.39Å |
| 135 | K | 87.3 | Confident | 89.2 | Confident | 172 Ų | 172 | 78 Ų | 78 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.3 | -35.8 | -176.6 | -64.8 | -177.3 | 180 | -179.6 | 0 | 112.6 | ||
| 136 | S | 87.9 | Confident | 89.4 | Confident | 7 Ų | 7 | 84.8 Ų | 84.8 | 5% | 0.049 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -81.5 | -20.1 | -175.7 | 70.3 | 0 | 0 | 0 | 0 | 114.2 | L128 H132 V134 I138 R139 R140 | L128-S136 PolarHBondContact O-OG 3.23Å; H132-S136 WeakPolarHBondContact O-CB 3.43Å; H132-S136 PolarHBondContact O-N 2.97Å; H132-S136 PolarHBondContact O-OG 2.92Å; V134-S136 PolarHBondContact O-N 3.39Å; S136-I138 VanDerWaalsContact C-N 3.27Å; S136-I138 PolarHBondContact O-N 3.3Å; S136-R139 PolarHBondContact O-N 3Å; S136-R140 WeakPolarHBondContact O-CB 3.42Å; S136-R140 WeakPolarHBondContact O-CG 3.47Å; S136-R140 PolarHBondContact O-N 2.9Å |
| 137 | R | 84.7 | Confident | 89.8 | Confident | 203 Ų | 203 | 87 Ų | 87 | 77% | 0.766 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -37.8 | -174 | -171.8 | 175.4 | -176.9 | -136.8 | 0.6 | 113.2 | R139 | R137-R139 VanDerWaalsContact C-N 3.34Š|
| 138 | I | 86.1 | Confident | 90.1 | Very high | 145 Ų | 145 | 86.4 Ų | 86.4 | 74% | 0.744 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -31.7 | -179.2 | -58.8 | 169.1 | 0 | 0 | 0 | 111.4 | S136 T141 | S136-I138 VanDerWaalsContact C-N 3.27Å; S136-I138 PolarHBondContact O-N 3.3Å; I138-T141 VanDerWaalsContact O-CG2 3.31Å; I138-T141 WeakPolarHBondContact O-CG2 3.49Å |
| 139 | R | 86.4 | Confident | 90.3 | Very high | 208 Ų | 208 | 83.9 Ų | 83.9 | 79% | 0.785 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -24.4 | -178.4 | -63.4 | -174 | 179.1 | -171.9 | -0.6 | 113.1 | S136 R137 T141 | S136-R139 PolarHBondContact O-N 3Å; R137-R139 VanDerWaalsContact C-N 3.34Å; R139-T141 VanDerWaalsContact C-N 3.29Å; R139-T141 PolarHBondContact O-N 3.34Å; R139-T141 VanDerWaalsContact O-N 3.11Å |
| 140 | R | 90.4 | Very high | 90.9 | Very high | 60 Ų | 60 | 87.4 Ų | 87.4 | 23% | 0.226 | 42% | 0.415 | C | S | . | . | trans | -88.9 | 62.2 | -177.6 | -68.8 | 174.9 | 62.8 | -135.9 | -1 | 111.7 | V62 D125 R126 A129 S136 | V62-R140 HydrophobicContact CG2-CB 4.48Å; V62-R140 WeakPolarHBondContact CG2-O 3.36Å; D125-R140 PolarHBondContact O-NE 2.97Å; D125-R140 PolarHBondContact O-NH2 2.9Å; D125-R140 IonicContact OD1-CZ 3.82Å; D125-R140 IonicContact OD1-NE 3.97Å; D125-R140 PolarHBondContact OD1-NE 3.05Å; D125-R140 IonicContact OD1-NH2 3.26Å; D125-R140 PolarHBondContact OD1-NH2 3.41Å; D125-R140 IonicContact OD2-CZ 2.9Å; D125-R140 IonicContact OD2-NH2 3.14Å; D125-R140 PolarHBondContact OD2-NH2 3.18Å; R126-R140 VanDerWaalsContact NH2-NH2 3.2Å; A129-R140 VanDerWaalsContact CB-CZ 3.49Å; S136-R140 WeakPolarHBondContact O-CB 3.42Å; S136-R140 WeakPolarHBondContact O-CG 3.47Å; S136-R140 PolarHBondContact O-N 2.9Å | ||
| 141 | T | 92.4 | Very high | 91.4 | Very high | 55 Ų | 55 | 87.9 Ų | 87.9 | 34% | 0.337 | 42% | 0.424 | S | S | . | . | trans | -93.1 | 160.5 | 179.1 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | I138 R139 F143 V144 A145 | I138-T141 VanDerWaalsContact O-CG2 3.31Å; I138-T141 WeakPolarHBondContact O-CG2 3.49Å; R139-T141 VanDerWaalsContact C-N 3.29Å; R139-T141 PolarHBondContact O-N 3.34Å; R139-T141 VanDerWaalsContact O-N 3.11Å; T141-F143 PolarHBondContact O-N 3.17Å; T141-V144 PolarHBondContact O-N 3.49Å; T141-V144 WeakPolarHBondContact OG1-CG2 3.46Å; T141-V144 PolarHBondContact OG1-N 2.84Å; T141-A145 PolarHBondContact O-N 3.02Å; T141-A145 VanDerWaalsContact O-N 3.11Å | ||
| 142 | M | 92.3 | Very high | 91.9 | Very high | 53 Ų | 53 | 86.6 Ų | 86.6 | 26% | 0.261 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -32.6 | 175.2 | -64.9 | -57.7 | -60.7 | 0 | 0 | 112.5 | L59 V62 V65 A145 R146 | L59-M142 WeakPolarHBondContact O-CE 3.36Å; V62-M142 HydrophobicContact CG2-SD 4.47Å; V65-M142 HydrophobicContact CG2-CE 3.19Å; V65-M142 HydrophobicContact CG2-SD 4.35Å; M142-A145 PolarHBondContact O-N 3.35Å; M142-R146 WeakPolarHBondContact O-CG 3.42Å; M142-R146 PolarHBondContact O-N 2.94Å; M142-R146 VanDerWaalsContact O-N 3.1Å |
| 143 | F | 93.1 | Very high | 92.3 | Very high | 146 Ų | 146 | 86.7 Ų | 86.7 | 64% | 0.64 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.6 | -50.8 | 175.7 | 178.2 | -102.3 | 0 | 0 | 0 | 110.9 | T141 A145 R146 I147 | T141-F143 PolarHBondContact O-N 3.17Å; F143-A145 VanDerWaalsContact C-N 3.3Å; F143-A145 PolarHBondContact O-N 2.97Å; F143-R146 PolarHBondContact O-N 3Å; F143-R146 VanDerWaalsContact O-N 3.17Å; F143-I147 HydrophobicContact CD1-CG1 4.36Å; F143-I147 HydrophobicContact CE1-CG1 3.95Å; F143-I147 HydrophobicContact CE2-CD1 4.23Å; F143-I147 HydrophobicContact CE2-CG1 4.11Å; F143-I147 HydrophobicContact CZ-CD1 4.09Å; F143-I147 HydrophobicContact CZ-CG1 3.82Å; F143-I147 WeakPolarHBondContact O-CG1 3.45Å; F143-I147 PolarHBondContact O-N 2.86Å |
| 144 | V | 94.7 | Very high | 92.9 | Very high | 67 Ų | 67 | 88.7 Ų | 88.7 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.7 | -45 | 177 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | T141 R146 I147 T148 | T141-V144 PolarHBondContact O-N 3.49Å; T141-V144 WeakPolarHBondContact OG1-CG2 3.46Å; T141-V144 PolarHBondContact OG1-N 2.84Å; V144-R146 VanDerWaalsContact C-N 3.33Å; V144-R146 PolarHBondContact O-N 3.48Å; V144-I147 PolarHBondContact O-N 3.29Å; V144-T148 WeakPolarHBondContact O-CB 3.44Å; V144-T148 PolarHBondContact O-N 3.32Å; V144-T148 PolarHBondContact O-OG1 3.04Å |
| 145 | A | 94 | Very high | 93.3 | Very high | 2 Ų | 2 | 87.8 Ų | 87.8 | 2% | 0.017 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V62 V65 F66 T141 M142 F143 T148 C149 | V62-A145 HydrophobicContact CB-CB 4.28Å; V62-A145 HydrophobicContact CG1-CB 3.81Å; V62-A145 HydrophobicContact CG2-CB 4.2Å; V65-A145 HydrophobicContact CB-CB 4.25Å; V65-A145 HydrophobicContact CG1-CB 4.37Å; V65-A145 HydrophobicContact CG2-CB 4.35Å; F66-A145 HydrophobicContact CE1-CB 4.48Å; F66-A145 HydrophobicContact CZ-CB 4.4Å; T141-A145 PolarHBondContact O-N 3.02Å; T141-A145 VanDerWaalsContact O-N 3.11Å; M142-A145 PolarHBondContact O-N 3.35Å; F143-A145 VanDerWaalsContact C-N 3.3Å; F143-A145 PolarHBondContact O-N 2.97Å; A145-T148 PolarHBondContact O-N 3.47Å; A145-C149 PolarHBondContact O-N 3.43Å; A145-C149 PolarHBondContact O-SG 2.97Å |
| 146 | R | 94.9 | Very high | 93.8 | Very high | 150 Ų | 150 | 79.6 Ų | 79.6 | 57% | 0.566 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.1 | -45.8 | 178.2 | -71.8 | 174.5 | -178.1 | 176.3 | 0.5 | 111.8 | V65 M142 F143 V144 T148 C149 I150 | V65-R146 HydrophobicContact CG1-CG 4.46Å; M142-R146 WeakPolarHBondContact O-CG 3.42Å; M142-R146 PolarHBondContact O-N 2.94Å; M142-R146 VanDerWaalsContact O-N 3.1Å; F143-R146 PolarHBondContact O-N 3Å; F143-R146 VanDerWaalsContact O-N 3.17Å; V144-R146 VanDerWaalsContact C-N 3.33Å; V144-R146 PolarHBondContact O-N 3.48Å; R146-T148 VanDerWaalsContact C-N 3.32Å; R146-T148 PolarHBondContact O-N 3.31Å; R146-C149 WeakPolarHBondContact O-CB 3.27Å; R146-C149 PolarHBondContact O-N 3.37Å; R146-I150 WeakPolarHBondContact O-CG1 3.38Å; R146-I150 PolarHBondContact O-N 3.39Å |
| 147 | I | 97.1 | Very high | 94.1 | Very high | 86 Ų | 86 | 80.5 Ų | 80.5 | 44% | 0.441 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.2 | -63.4 | -59 | 0 | 0 | 0 | 110.7 | F143 V144 C149 I150 A151 | F143-I147 HydrophobicContact CD1-CG1 4.36Å; F143-I147 HydrophobicContact CE1-CG1 3.95Å; F143-I147 HydrophobicContact CE2-CD1 4.23Å; F143-I147 HydrophobicContact CE2-CG1 4.11Å; F143-I147 HydrophobicContact CZ-CD1 4.09Å; F143-I147 HydrophobicContact CZ-CG1 3.82Å; F143-I147 WeakPolarHBondContact O-CG1 3.45Å; F143-I147 PolarHBondContact O-N 2.86Å; V144-I147 PolarHBondContact O-N 3.29Å; I147-C149 VanDerWaalsContact C-N 3.32Å; I147-C149 PolarHBondContact O-N 3.49Å; I147-I150 HydrophobicContact CD1-CD1 4.47Å; I147-I150 PolarHBondContact O-N 3.41Å; I147-A151 PolarHBondContact O-N 3.24Å |
| 148 | T | 97.1 | Very high | 94.6 | Very high | 40 Ų | 40 | 75.8 Ų | 75.8 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 174.1 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | F66 C121 V144 A145 R146 A151 I152 | F66-T148 HydrophobicContact CE1-CG2 3.95Å; F66-T148 HydrophobicContact CZ-CG2 4.17Å; C121-T148 HydrophobicContact CB-CG2 4.27Å; V144-T148 WeakPolarHBondContact O-CB 3.44Å; V144-T148 PolarHBondContact O-N 3.32Å; V144-T148 PolarHBondContact O-OG1 3.04Å; A145-T148 PolarHBondContact O-N 3.47Å; R146-T148 VanDerWaalsContact C-N 3.32Å; R146-T148 PolarHBondContact O-N 3.31Å; T148-A151 PolarHBondContact O-N 3.12Å; T148-I152 HydrophobicContact CG2-CD1 3.96Å; T148-I152 HydrophobicContact CG2-CG1 4.49Å; T148-I152 VanDerWaalsContact O-CG1 3.27Å; T148-I152 WeakPolarHBondContact O-CG1 3.49Å; T148-I152 PolarHBondContact O-N 3.34Å |
| 149 | C | 97.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 176 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | F66 N69 A145 R146 I147 A151 I152 W153 | F66-C149 VanDerWaalsContact CD1-SG 3.57Å; N69-C149 PolarHBondContact ND2-SG 3.28Å; N69-C149 VanDerWaalsContact ND2-SG 3.41Å; A145-C149 PolarHBondContact O-N 3.43Å; A145-C149 PolarHBondContact O-SG 2.97Å; R146-C149 WeakPolarHBondContact O-CB 3.27Å; R146-C149 PolarHBondContact O-N 3.37Å; I147-C149 VanDerWaalsContact C-N 3.32Å; I147-C149 PolarHBondContact O-N 3.49Å; C149-A151 VanDerWaalsContact C-N 3.27Å; C149-A151 PolarHBondContact O-N 2.94Å; C149-I152 WeakPolarHBondContact O-CA 3.3Å; C149-I152 WeakPolarHBondContact O-CB 3.32Å; C149-I152 PolarHBondContact O-N 3.49Å; C149-W153 PolarHBondContact O-N 3.33Å |
| 150 | I | 97.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.1 | -44.6 | 178.1 | -64.8 | 166.5 | 0 | 0 | 0 | 110.7 | R146 I147 I152 W153 L154 | R146-I150 WeakPolarHBondContact O-CG1 3.38Å; R146-I150 PolarHBondContact O-N 3.39Å; I147-I150 HydrophobicContact CD1-CD1 4.47Å; I147-I150 PolarHBondContact O-N 3.41Å; I150-I152 VanDerWaalsContact C-N 3.33Å; I150-I152 PolarHBondContact O-N 2.8Å; I150-W153 PolarHBondContact O-N 2.84Å; I150-L154 HydrophobicContact CG2-CD1 4.2Å; I150-L154 WeakPolarHBondContact O-CG 3.1Å; I150-L154 PolarHBondContact O-N 2.91Å |
| 151 | A | 98 | Very high | 95.1 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I147 T148 C149 L154 L155 | I147-A151 PolarHBondContact O-N 3.24Å; T148-A151 PolarHBondContact O-N 3.12Å; C149-A151 VanDerWaalsContact C-N 3.27Å; C149-A151 PolarHBondContact O-N 2.94Å; A151-L154 PolarHBondContact O-N 3.38Å; A151-L155 WeakPolarHBondContact O-CB 3.35Å; A151-L155 VanDerWaalsContact O-CG 3.25Å; A151-L155 WeakPolarHBondContact O-CG 3.35Å; A151-L155 PolarHBondContact O-N 3.49Å |
| 152 | I | 97.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 175.4 | -69.1 | 165.2 | 0 | 0 | 0 | 111.3 | F117 L118 C121 T148 C149 I150 L154 L155 A156 | F117-I152 HydrophobicContact CB-CB 4.47Å; F117-I152 HydrophobicContact CB-CD1 4.4Å; F117-I152 HydrophobicContact CB-CG1 4.05Å; F117-I152 HydrophobicContact CB-CG2 3.71Å; F117-I152 HydrophobicContact CD2-CG2 4.33Å; L118-I152 HydrophobicContact CD2-CD1 3.81Å; L118-I152 HydrophobicContact CG-CD1 4.18Å; L118-I152 HydrophobicContact CG-CG2 4.18Å; C121-I152 HydrophobicContact CB-CD1 4.32Å; T148-I152 HydrophobicContact CG2-CD1 3.96Å; T148-I152 HydrophobicContact CG2-CG1 4.49Å; T148-I152 VanDerWaalsContact O-CG1 3.27Å; T148-I152 WeakPolarHBondContact O-CG1 3.49Å; T148-I152 PolarHBondContact O-N 3.34Å; C149-I152 WeakPolarHBondContact O-CA 3.3Å; C149-I152 WeakPolarHBondContact O-CB 3.32Å; C149-I152 PolarHBondContact O-N 3.49Å; I150-I152 VanDerWaalsContact C-N 3.33Å; I150-I152 PolarHBondContact O-N 2.8Å; I152-L154 VanDerWaalsContact C-N 3.31Å; I152-L154 PolarHBondContact O-N 3.08Å; I152-L155 PolarHBondContact O-N 3.29Å; I152-A156 VanDerWaalsContact O-CB 3.3Å; I152-A156 WeakPolarHBondContact O-CB 3.37Å; I152-A156 PolarHBondContact O-N 3.36Å |
| 153 | W | 97.5 | Very high | 94.7 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 28% | 0.284 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 177.1 | -76.7 | 97.5 | 0 | 0 | 0 | 111 | N69 L72 A73 F110 C149 I150 G157 | N69-W153 PolarHBondContact OD1-NE1 3.34Å; L72-W153 HydrophobicContact CB-CZ2 4.44Å; A73-W153 HydrophobicContact CB-CH2 4.1Å; A73-W153 HydrophobicContact CB-CZ2 4.31Å; F110-W153 HydrophobicContact CD1-CZ3 4.33Å; F110-W153 HydrophobicContact CE1-CD2 4.32Å; F110-W153 AromaticContact CE1-CE3 3.44Å; F110-W153 HydrophobicContact CE1-CE3 3.44Å; F110-W153 VanDerWaalsContact CE1-CE3 3.44Å; F110-W153 AromaticContact CE1-CH2 3.97Å; F110-W153 HydrophobicContact CE1-CH2 3.97Å; F110-W153 AromaticContact CE1-CZ3 3.2Å; F110-W153 HydrophobicContact CE1-CZ3 3.2Å; F110-W153 HydrophobicContact CE2-CE3 4.09Å; F110-W153 WeakPolarHBondContact CE2-O 3.23Å; F110-W153 HydrophobicContact CZ-CB 4.49Å; F110-W153 AromaticContact CZ-CD2 3.81Å; F110-W153 HydrophobicContact CZ-CD2 3.81Å; F110-W153 AromaticContact CZ-CE3 3.04Å; F110-W153 HydrophobicContact CZ-CE3 3.04Å; F110-W153 HydrophobicContact CZ-CG 4.46Å; F110-W153 HydrophobicContact CZ-CH2 4.4Å; F110-W153 AromaticContact CZ-CZ3 3.4Å; F110-W153 HydrophobicContact CZ-CZ3 3.4Å; C149-W153 PolarHBondContact O-N 3.33Å; I150-W153 PolarHBondContact O-N 2.84Å; W153-G157 PolarHBondContact O-N 3.47Å |
| 154 | L | 97.6 | Very high | 94.5 | Very high | 118 Ų | 118 | 54.5 Ų | 54.5 | 62% | 0.618 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.6 | -46.4 | 176.8 | -67.3 | 173.6 | 0 | 0 | 0 | 112 | I150 A151 I152 A156 G157 V158 | I150-L154 HydrophobicContact CG2-CD1 4.2Å; I150-L154 WeakPolarHBondContact O-CG 3.1Å; I150-L154 PolarHBondContact O-N 2.91Å; A151-L154 PolarHBondContact O-N 3.38Å; I152-L154 VanDerWaalsContact C-N 3.31Å; I152-L154 PolarHBondContact O-N 3.08Å; L154-A156 PolarHBondContact O-N 2.97Å; L154-G157 PolarHBondContact O-N 3.37Å; L154-V158 WeakPolarHBondContact O-CG2 3.26Å; L154-V158 PolarHBondContact O-N 2.97Å |
| 155 | L | 96.2 | Very high | 94.2 | Very high | 104 Ų | 104 | 55.8 Ų | 55.8 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 178.9 | -73.7 | 170 | 0 | 0 | 0 | 112.2 | F117 A151 I152 G157 V158 A159 | F117-L155 HydrophobicContact CD2-CB 4.41Å; F117-L155 HydrophobicContact CE2-CB 4.14Å; A151-L155 WeakPolarHBondContact O-CB 3.35Å; A151-L155 VanDerWaalsContact O-CG 3.25Å; A151-L155 WeakPolarHBondContact O-CG 3.35Å; A151-L155 PolarHBondContact O-N 3.49Å; I152-L155 PolarHBondContact O-N 3.29Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-V158 PolarHBondContact O-N 2.98Å; L155-A159 VanDerWaalsContact O-CB 3.28Å; L155-A159 WeakPolarHBondContact O-CB 3.45Å; L155-A159 PolarHBondContact O-N 3.42Å |
| 156 | A | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F110 A114 I152 L154 A159 S160 | F110-A156 HydrophobicContact CD2-CB 3.9Å; F110-A156 HydrophobicContact CE2-CB 3.57Å; F110-A156 HydrophobicContact CZ-CB 3.91Å; A114-A156 HydrophobicContact CB-CB 3.92Å; I152-A156 VanDerWaalsContact O-CB 3.3Å; I152-A156 WeakPolarHBondContact O-CB 3.37Å; I152-A156 PolarHBondContact O-N 3.36Å; L154-A156 PolarHBondContact O-N 2.97Å; A156-A159 PolarHBondContact O-N 3.21Å; A156-S160 WeakPolarHBondContact O-CB 3.45Å; A156-S160 PolarHBondContact O-N 3.13Å; A156-S160 PolarHBondContact O-OG 3.36Å |
| 157 | G | 95.1 | Very high | 93.5 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W153 L154 L155 A159 S160 L161 | W153-G157 PolarHBondContact O-N 3.47Å; L154-G157 PolarHBondContact O-N 3.37Å; L155-G157 VanDerWaalsContact C-N 3.33Å; G157-A159 PolarHBondContact O-N 3.46Å; G157-S160 WeakPolarHBondContact CA-OG 3.4Å; G157-S160 PolarHBondContact O-N 3.47Å; G157-S160 PolarHBondContact O-OG 3.04Å; G157-L161 PolarHBondContact O-N 3.46Å |
| 158 | V | 94.4 | Very high | 93.3 | Very high | 104 Ų | 104 | 50 Ų | 50 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.3 | -44.1 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L154 L155 S160 L161 | L154-V158 WeakPolarHBondContact O-CG2 3.26Å; L154-V158 PolarHBondContact O-N 2.97Å; L155-V158 PolarHBondContact O-N 2.98Å; V158-S160 VanDerWaalsContact C-N 3.27Å; V158-S160 PolarHBondContact O-N 3.41Å; V158-L161 VanDerWaalsContact O-CB 3.27Å; V158-L161 WeakPolarHBondContact O-CB 3.4Å; V158-L161 PolarHBondContact O-N 3.05Å |
| 159 | A | 91.4 | Very high | 93.1 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.1 | -25.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y113 L155 A156 G157 | Y113-A159 HydrophobicContact CD1-CB 4.17Å; Y113-A159 HydrophobicContact CD2-CB 3.45Å; Y113-A159 VanDerWaalsContact CD2-CB 3.45Å; Y113-A159 HydrophobicContact CE1-CB 4.19Å; Y113-A159 HydrophobicContact CE2-CB 3.47Å; Y113-A159 VanDerWaalsContact CE2-CB 3.47Å; Y113-A159 WeakPolarHBondContact CE2-O 3.35Å; Y113-A159 HydrophobicContact CG-CB 3.83Å; L155-A159 VanDerWaalsContact O-CB 3.28Å; L155-A159 WeakPolarHBondContact O-CB 3.45Å; L155-A159 PolarHBondContact O-N 3.42Å; A156-A159 PolarHBondContact O-N 3.21Å; G157-A159 PolarHBondContact O-N 3.46Å |
| 160 | S | 92.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -90.4 | -12.3 | 175 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | A156 G157 V158 P162 V163 I164 | A156-S160 WeakPolarHBondContact O-CB 3.45Å; A156-S160 PolarHBondContact O-N 3.13Å; A156-S160 PolarHBondContact O-OG 3.36Å; G157-S160 WeakPolarHBondContact CA-OG 3.4Å; G157-S160 PolarHBondContact O-N 3.47Å; G157-S160 PolarHBondContact O-OG 3.04Å; V158-S160 VanDerWaalsContact C-N 3.27Å; V158-S160 PolarHBondContact O-N 3.41Å; S160-P162 VanDerWaalsContact C-CD 3.43Å; S160-V163 VanDerWaalsContact O-CB 3.27Å; S160-V163 WeakPolarHBondContact O-CB 3.45Å; S160-V163 PolarHBondContact O-N 3.16Å; S160-I164 PolarHBondContact O-N 2.8Å |
| 161 | L | 90.4 | Very high | 92.4 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 45% | 0.45 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.4 | -41.6 | -179.1 | -173.9 | 64.2 | 0 | 0 | 0 | 114.1 | G157 V158 V163 I164 I165 | G157-L161 PolarHBondContact O-N 3.46Å; V158-L161 VanDerWaalsContact O-CB 3.27Å; V158-L161 WeakPolarHBondContact O-CB 3.4Å; V158-L161 PolarHBondContact O-N 3.05Å; L161-V163 PolarHBondContact O-N 2.95Å; L161-I164 HydrophobicContact CD1-CD1 4.49Å; L161-I164 WeakPolarHBondContact O-CB 3.05Å; L161-I164 PolarHBondContact O-N 2.73Å; L161-I165 HydrophobicContact CD1-CD1 4.42Å; L161-I165 HydrophobicContact CD2-CD1 4.38Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 HydrophobicContact CG-CG1 4.42Å; L161-I165 WeakPolarHBondContact O-CG1 3.24Å; L161-I165 PolarHBondContact O-N 3.45Å |
| 162 | P | 87.6 | Confident | 92 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -28.3 | 177.7 | -22.1 | 33.5 | 0 | 0 | 0 | 113.1 | S160 I165 H166 L195 | S160-P162 VanDerWaalsContact C-CD 3.43Å; P162-I165 PolarHBondContact O-N 2.9Å; P162-H166 WeakPolarHBondContact O-CB 3.5Å; P162-H166 PolarHBondContact O-CD2 3.16Å; P162-H166 PolarHBondContact O-N 3.21Å; P162-L195 HydrophobicContact CB-CD1 3.95Å; P162-L195 HydrophobicContact CB-CD2 3.24Å; P162-L195 HydrophobicContact CB-CG 4.22Å; P162-L195 HydrophobicContact CG-CD2 3.61Å |
| 163 | V | 87.8 | Confident | 91.5 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | S160 L161 I165 R167 F182 | S160-V163 VanDerWaalsContact O-CB 3.27Å; S160-V163 WeakPolarHBondContact O-CB 3.45Å; S160-V163 PolarHBondContact O-N 3.16Å; L161-V163 PolarHBondContact O-N 2.95Å; V163-I165 VanDerWaalsContact C-N 3.33Å; V163-I165 PolarHBondContact O-N 3.39Å; V163-R167 HydrophobicContact CG1-CG 3.82Å; V163-R167 WeakPolarHBondContact O-CB 3.29Å; V163-R167 PolarHBondContact O-N 3.47Å; V163-F182 HydrophobicContact CB-CE1 4.42Å; V163-F182 HydrophobicContact CG1-CE1 4.21Å; V163-F182 HydrophobicContact CG1-CZ 4.09Å; V163-F182 HydrophobicContact CG2-CE1 4.2Å; V163-F182 HydrophobicContact CG2-CZ 4.15Å |
| 164 | I | 89.4 | Confident | 90.9 | Very high | 64 Ų | 64 | 49 Ų | 49 | 33% | 0.328 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.9 | -62.2 | 171.7 | 0 | 0 | 0 | 111.2 | K102 A106 S160 L161 | K102-I164 WeakPolarHBondContact CD-O 3.48Å; K102-I164 PolarHBondContact NZ-O 3.33Å; A106-I164 HydrophobicContact CB-CD1 3.89Å; A106-I164 HydrophobicContact CB-CG1 3.36Å; S160-I164 PolarHBondContact O-N 2.8Å; L161-I164 HydrophobicContact CD1-CD1 4.49Å; L161-I164 WeakPolarHBondContact O-CB 3.05Å; L161-I164 PolarHBondContact O-N 2.73Å |
| 165 | I | 88.3 | Confident | 90.3 | Very high | 94 Ų | 94 | 45.8 Ų | 45.8 | 48% | 0.482 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.8 | -48.6 | -177.4 | -63.3 | 170.6 | 0 | 0 | 0 | 110.4 | K102 L161 P162 V163 | K102-I165 PolarHBondContact NZ-O 2.81Å; L161-I165 HydrophobicContact CD1-CD1 4.42Å; L161-I165 HydrophobicContact CD2-CD1 4.38Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 HydrophobicContact CG-CG1 4.42Å; L161-I165 WeakPolarHBondContact O-CG1 3.24Å; L161-I165 PolarHBondContact O-N 3.45Å; P162-I165 PolarHBondContact O-N 2.9Å; V163-I165 VanDerWaalsContact C-N 3.33Å; V163-I165 PolarHBondContact O-N 3.39Å |
| 166 | H | 86.5 | Confident | 90 | Very high | 45 Ų | 45 | 47 Ų | 47 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -95.6 | -20.2 | -167.6 | -60.6 | -64.3 | 0 | 0 | 0 | 114.9 | P162 N168 F182 R183 L191 | P162-H166 WeakPolarHBondContact O-CB 3.5Å; P162-H166 PolarHBondContact O-CD2 3.16Å; P162-H166 PolarHBondContact O-N 3.21Å; H166-N168 PolarHBondContact O-N 2.92Å; H166-N168 PolarHBondContact O-ND2 2.97Å; H166-F182 HydrophobicContact CB-CD1 4.32Å; H166-R183 VanDerWaalsContact O-CB 3.28Å; H166-R183 WeakPolarHBondContact O-CB 3.49Å; H166-R183 PolarHBondContact O-N 3.46Å; H166-L191 WeakPolarHBondContact CE1-CD2 3.37Å; H166-L191 WeakPolarHBondContact NE2-CD2 3.46Å |
| 167 | R | 89.2 | Confident | 89.7 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129.9 | 169.9 | -88.6 | -94 | 173.9 | 170.6 | -8.4 | 110.3 | K102 S105 V163 C180 G181 F182 | K102-R167 WeakPolarHBondContact CE-O 3.43Å; K102-R167 HydrophobicContact CG-CB 4.49Å; K102-R167 VanDerWaalsContact CG-O 3.3Å; K102-R167 WeakPolarHBondContact CG-O 3.44Å; K102-R167 PolarHBondContact NZ-O 3.25Å; S105-R167 VanDerWaalsContact OG-CD 3.25Å; S105-R167 WeakPolarHBondContact OG-CD 3.34Å; S105-R167 PolarHBondContact OG-NE 3.37Å; V163-R167 HydrophobicContact CG1-CG 3.82Å; V163-R167 WeakPolarHBondContact O-CB 3.29Å; V163-R167 PolarHBondContact O-N 3.47Å; R167-C180 PolarHBondContact NH1-O 2.87Å; R167-C180 PolarHBondContact NH1-SG 2.93Å; R167-G181 WeakPolarHBondContact CA-O 3.18Å; R167-G181 WeakPolarHBondContact CD-O 3.22Å; R167-F182 HydrophobicContact CG-CD1 4.18Å; R167-F182 HydrophobicContact CG-CE1 4.02Å; R167-F182 HydrophobicContact CG-CZ 4.18Å |
| 168 | N | 91.1 | Very high | 89.6 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 17% | 0.171 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 170.4 | 172.1 | -69.8 | -72.5 | 0 | 0 | 0 | 110 | N98 K102 H166 F170 G181 | N98-N168 PolarHBondContact ND2-OD1 2.91Å; N98-N168 WeakPolarHBondContact OD1-CA 3.23Å; K102-N168 VanDerWaalsContact CE-OD1 3.28Å; K102-N168 WeakPolarHBondContact CE-OD1 3.44Å; K102-N168 PolarHBondContact NZ-OD1 3.31Å; H166-N168 PolarHBondContact O-N 2.92Å; H166-N168 PolarHBondContact O-ND2 2.97Å; N168-F170 HydrophobicContact CB-CE2 4.07Å; N168-F170 HydrophobicContact CB-CZ 3.97Å; N168-F170 WeakPolarHBondContact O-CD2 3.2Å; N168-F170 WeakPolarHBondContact O-CE2 3.3Å; N168-G181 PolarHBondContact N-O 3.4Å; N168-G181 PolarHBondContact O-N 2.74Å; N168-G181 VanDerWaalsContact O-O 3.05Å |
| 169 | I | 93 | Very high | 89.5 | Confident | 31 Ų | 31 | 44.2 Ų | 44.2 | 16% | 0.159 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 142.5 | 166.9 | 58.3 | 172.8 | 0 | 0 | 0 | 110.7 | V11 N98 C101 T178 V179 | V11-I169 HydrophobicContact CG1-CG1 4.3Å; V11-I169 HydrophobicContact CG2-CD1 3.71Å; V11-I169 HydrophobicContact CG2-CG1 4.24Å; N98-I169 HydrophobicContact CB-CD1 4.14Å; N98-I169 HydrophobicContact CB-CG1 4.1Å; N98-I169 HydrophobicContact CB-CG2 4.49Å; N98-I169 PolarHBondContact OD1-N 3.02Å; C101-I169 HydrophobicContact CB-CG2 4.07Å; I169-T178 HydrophobicContact CB-CG2 4.16Å; I169-V179 CarbonylContact C-O 3.53Å; I169-V179 WeakPolarHBondContact CA-O 3.27Å |
| 170 | F | 90.7 | Very high | 89.5 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 4% | 0.044 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 147.9 | 177.4 | -62.1 | -79.6 | 0 | 0 | 0 | 110.4 | K12 I14 N168 T178 V179 G181 R183 | K12-F170 HydrophobicContact CB-CD1 3.88Å; K12-F170 HydrophobicContact CB-CE1 4.04Å; K12-F170 HydrophobicContact CD-CE1 4.46Å; K12-F170 WeakPolarHBondContact O-CA 3.49Å; I14-F170 HydrophobicContact CD1-CB 3.59Å; I14-F170 HydrophobicContact CD1-CG 4.01Å; I14-F170 HydrophobicContact CG1-CB 3.91Å; I14-F170 HydrophobicContact CG2-CB 4.27Å; I14-F170 HydrophobicContact CG2-CD1 3.66Å; I14-F170 HydrophobicContact CG2-CE1 4.38Å; I14-F170 HydrophobicContact CG2-CG 4.16Å; N168-F170 HydrophobicContact CB-CE2 4.07Å; N168-F170 HydrophobicContact CB-CZ 3.97Å; N168-F170 WeakPolarHBondContact O-CD2 3.2Å; N168-F170 WeakPolarHBondContact O-CE2 3.3Å; F170-T178 CarbonylContact O-C 3.57Å; F170-T178 VanDerWaalsContact O-CA 3.3Å; F170-T178 WeakPolarHBondContact O-CA 3.43Å; F170-V179 HydrophobicContact CB-CG2 4.11Å; F170-V179 PolarHBondContact N-O 3.42Å; F170-V179 PolarHBondContact O-N 3.48Å; F170-G181 WeakPolarHBondContact CE2-O 3.44Å; F170-R183 HydrophobicContact CE1-CB 4.46Å; F170-R183 HydrophobicContact CE1-CG 4.31Å; F170-R183 HydrophobicContact CE2-CB 4.49Å; F170-R183 VanDerWaalsContact CZ-CA 3.44Å; F170-R183 HydrophobicContact CZ-CB 3.63Å; F170-R183 HydrophobicContact CZ-CG 3.95Å |
| 171 | F | 91.2 | Very high | 89.2 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 23% | 0.232 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 110.8 | 171 | -173.8 | -101 | 0 | 0 | 0 | 109.1 | V11 K12 R13 I14 E173 N176 | V11-F171 HydrophobicContact CG1-CB 4.02Å; K12-F171 PolarHBondContact O-N 3.38Å; R13-F171 CarbonylContact C-O 3.26Å; R13-F171 VanDerWaalsContact CA-O 3.31Å; R13-F171 WeakPolarHBondContact CA-O 3.42Å; R13-F171 HydrophobicContact CG-CB 4.4Å; R13-F171 HydrophobicContact CG-CD1 4.31Å; I14-F171 PolarHBondContact N-O 3.07Å; F171-E173 HydrophobicContact CD1-CG 4.18Å; F171-E173 HydrophobicContact CE1-CG 4.41Å; F171-E173 PolarHBondContact O-N 3.12Å; F171-N176 VanDerWaalsContact CZ-OD1 3.31Å; F171-N176 WeakPolarHBondContact CZ-OD1 3.49Å |
| 172 | A | 88.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 106.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | I14 V16 N174 L175 N176 M177 | I14-A172 HydrophobicContact CG1-CB 4.45Å; I14-A172 WeakPolarHBondContact O-CA 3.48Å; V16-A172 HydrophobicContact CG2-CB 4.1Å; A172-N174 PolarHBondContact O-N 3.44Å; A172-L175 HydrophobicContact CB-CB 4.12Å; A172-L175 HydrophobicContact CB-CD1 4.23Å; A172-L175 CarbonylContact O-C 3.59Å; A172-L175 PolarHBondContact O-N 3.09Å; A172-N176 WeakPolarHBondContact O-CA 3.38Å; A172-N176 PolarHBondContact O-N 3.44Å; A172-M177 HydrophobicContact CB-CG 4.35Å; A172-M177 PolarHBondContact N-O 3.24Å; A172-M177 PolarHBondContact O-N 3.45Å |
| 173 | E | 86.9 | Confident | 87.9 | Confident | 97 Ų | 97 | 44.4 Ų | 44.4 | 45% | 0.453 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -65.4 | -42.9 | -171 | -67.2 | -167.8 | 144.9 | 0 | 0 | 112.7 | R13 I14 F171 L175 N176 | R13-E173 HydrophobicContact CB-CG 3.98Å; R13-E173 WeakPolarHBondContact CD-OE1 3.25Å; R13-E173 IonicContact NH1-OE1 2.97Å; R13-E173 PolarHBondContact NH1-OE1 2.84Å; I14-E173 PolarHBondContact O-N 3.25Å; F171-E173 HydrophobicContact CD1-CG 4.18Å; F171-E173 HydrophobicContact CE1-CG 4.41Å; F171-E173 PolarHBondContact O-N 3.12Å; E173-L175 PolarHBondContact O-N 3.1Å; E173-N176 PolarHBondContact O-N 3.02Å |
| 174 | N | 86.6 | Confident | 86.7 | Confident | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -70.6 | -13.4 | -179.8 | 60.2 | -21.1 | 0 | 0 | 0 | 114.2 | Y15 V16 A172 | Y15-N174 HydrophobicContact CD2-CB 4.14Å; Y15-N174 HydrophobicContact CE2-CB 3.72Å; V16-N174 PolarHBondContact O-ND2 2.98Å; A172-N174 PolarHBondContact O-N 3.44Å |
| 175 | L | 85.1 | Confident | 85.4 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 27% | 0.272 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -115 | -4.3 | 179.1 | -67.5 | 162.2 | 0 | 0 | 0 | 112.5 | V16 P19 R23 A172 E173 M177 | V16-L175 HydrophobicContact CB-CD1 4.46Å; V16-L175 HydrophobicContact CG2-CD1 4.18Å; P19-L175 HydrophobicContact CB-CD1 4.28Å; P19-L175 HydrophobicContact CB-CD2 4.08Å; P19-L175 HydrophobicContact CB-CG 4.23Å; R23-L175 VanDerWaalsContact NH1-CD1 3.31Å; A172-L175 HydrophobicContact CB-CB 4.12Å; A172-L175 HydrophobicContact CB-CD1 4.23Å; A172-L175 CarbonylContact O-C 3.59Å; A172-L175 PolarHBondContact O-N 3.09Å; E173-L175 PolarHBondContact O-N 3.1Å; L175-M177 VanDerWaalsContact C-N 3.28Å; L175-M177 HydrophobicContact CB-CG 3.77Å; L175-M177 HydrophobicContact CB-SD 3.93Å; L175-M177 HydrophobicContact CD1-SD 4.46Å; L175-M177 PolarHBondContact O-N 3.43Å |
| 176 | N | 89.1 | Confident | 84 | Confident | 128 Ų | 128 | 50.9 Ų | 50.9 | 68% | 0.684 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 45.6 | -177.5 | -165.5 | 32 | 0 | 0 | 0 | 113.8 | F171 A172 E173 | F171-N176 VanDerWaalsContact CZ-OD1 3.31Å; F171-N176 WeakPolarHBondContact CZ-OD1 3.49Å; A172-N176 WeakPolarHBondContact O-CA 3.38Å; A172-N176 PolarHBondContact O-N 3.44Å; E173-N176 PolarHBondContact O-N 3.02Å |
| 177 | M | 90.3 | Very high | 82.7 | Confident | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.054 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.8 | -174.2 | 68 | -179.5 | -58.1 | 0 | 0 | 113.2 | R23 E91 Y92 Q93 A172 L175 V179 | R23-M177 PolarHBondContact NH1-SD 2.93Å; R23-M177 PolarHBondContact NH2-SD 3.12Å; E91-M177 VanDerWaalsContact O-CE 3.28Å; E91-M177 WeakPolarHBondContact O-CE 3.35Å; Y92-M177 WeakPolarHBondContact O-CE 3.31Å; Q93-M177 HydrophobicContact CB-CE 3.92Å; A172-M177 HydrophobicContact CB-CG 4.35Å; A172-M177 PolarHBondContact N-O 3.24Å; A172-M177 PolarHBondContact O-N 3.45Å; L175-M177 VanDerWaalsContact C-N 3.28Å; L175-M177 HydrophobicContact CB-CG 3.77Å; L175-M177 HydrophobicContact CB-SD 3.93Å; L175-M177 HydrophobicContact CD1-SD 4.46Å; L175-M177 PolarHBondContact O-N 3.43Å; M177-V179 HydrophobicContact CE-CG1 3.98Å; M177-V179 HydrophobicContact CG-CG1 4.13Å; M177-V179 HydrophobicContact SD-CG1 4.24Å |
| 178 | T | 92.7 | Very high | 81.6 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.6 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | W94 I169 F170 | W94-T178 PolarHBondContact N-O 2.93Å; I169-T178 HydrophobicContact CB-CG2 4.16Å; F170-T178 CarbonylContact O-C 3.57Å; F170-T178 VanDerWaalsContact O-CA 3.3Å; F170-T178 WeakPolarHBondContact O-CA 3.43Å |
| 179 | V | 91.4 | Very high | 80.5 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 152.1 | 178.8 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | I14 I169 F170 M177 | I14-V179 HydrophobicContact CD1-CG2 4.44Å; I169-V179 CarbonylContact C-O 3.53Å; I169-V179 WeakPolarHBondContact CA-O 3.27Å; F170-V179 HydrophobicContact CB-CG2 4.11Å; F170-V179 PolarHBondContact N-O 3.42Å; F170-V179 PolarHBondContact O-N 3.48Å; M177-V179 HydrophobicContact CE-CG1 3.98Å; M177-V179 HydrophobicContact CG-CG1 4.13Å; M177-V179 HydrophobicContact SD-CG1 4.24Å |
| 180 | C | 91.4 | Very high | 79.6 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120 | 167.6 | 173.1 | 0 | 0 | 0 | 0 | 107.2 | W94 C101 R167 | W94-C180 HydrophobicContact CB-CB 3.91Å; W94-C180 HydrophobicContact CD2-CB 3.59Å; W94-C180 HydrophobicContact CE3-CB 3.9Å; W94-C180 HydrophobicContact CG-CB 3.57Å; C101-C180 WeakPolarHBondContact CA-SG 3.26Å; C101-C180 HydrophobicContact CB-CB 3.87Å; C101-C180 WeakPolarHBondContact CB-SG 3.33Å; C101-C180 WeakPolarHBondContact SG-CB 3.32Å; C101-C180 CovalentContact SG-SG 2.02Å; C101-C180 PolarHBondContact SG-SG 3.42Å; R167-C180 PolarHBondContact NH1-O 2.87Å; R167-C180 PolarHBondContact NH1-SG 2.93Å |
| 181 | G | 86.4 | Confident | 78.8 | Confident | 15 Ų | 15 | 66.7 Ų | 66.7 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 173.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R167 N168 F170 | R167-G181 WeakPolarHBondContact CA-O 3.18Å; R167-G181 WeakPolarHBondContact CD-O 3.22Å; N168-G181 PolarHBondContact N-O 3.4Å; N168-G181 PolarHBondContact O-N 2.74Å; N168-G181 VanDerWaalsContact O-O 3.05Å; F170-G181 WeakPolarHBondContact CE2-O 3.44Å |
| 182 | F | 82.1 | Confident | 77.8 | Confident | 43 Ų | 43 | 67 Ų | 67 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133.6 | 171.4 | -78.8 | -82.6 | 0 | 0 | 0 | 110.1 | V163 H166 R167 Y184 | V163-F182 HydrophobicContact CB-CE1 4.42Å; V163-F182 HydrophobicContact CG1-CE1 4.21Å; V163-F182 HydrophobicContact CG1-CZ 4.09Å; V163-F182 HydrophobicContact CG2-CE1 4.2Å; V163-F182 HydrophobicContact CG2-CZ 4.15Å; H166-F182 HydrophobicContact CB-CD1 4.32Å; R167-F182 HydrophobicContact CG-CD1 4.18Å; R167-F182 HydrophobicContact CG-CE1 4.02Å; R167-F182 HydrophobicContact CG-CZ 4.18Å; F182-Y184 HydrophobicContact CB-CD1 4.18Å; F182-Y184 HydrophobicContact CB-CD2 4.15Å; F182-Y184 HydrophobicContact CB-CE1 3.55Å; F182-Y184 HydrophobicContact CB-CE2 3.54Å; F182-Y184 HydrophobicContact CB-CG 4.49Å; F182-Y184 WeakPolarHBondContact CB-OH 3.44Å; F182-Y184 HydrophobicContact CG-CE1 4.33Å; F182-Y184 WeakPolarHBondContact O-CD2 3.43Å; F182-Y184 PolarHBondContact O-N 3.02Å |
| 183 | R | 68.1 | Low | 77.2 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | trans | -69.8 | 116.9 | 170.1 | -170.6 | 170.9 | 162.5 | -176.3 | -15.2 | 108.9 | H166 F170 D185 | H166-R183 VanDerWaalsContact O-CB 3.28Å; H166-R183 WeakPolarHBondContact O-CB 3.49Å; H166-R183 PolarHBondContact O-N 3.46Å; F170-R183 HydrophobicContact CE1-CB 4.46Å; F170-R183 HydrophobicContact CE1-CG 4.31Å; F170-R183 HydrophobicContact CE2-CB 4.49Å; F170-R183 VanDerWaalsContact CZ-CA 3.44Å; F170-R183 HydrophobicContact CZ-CB 3.63Å; F170-R183 HydrophobicContact CZ-CG 3.95Å; R183-D185 IonicContact CZ-OD1 3.59Å; R183-D185 IonicContact CZ-OD2 3.36Å; R183-D185 IonicContact NE-OD1 2.72Å; R183-D185 PolarHBondContact NE-OD1 3.15Å; R183-D185 IonicContact NE-OD2 3.77Å; R183-D185 PolarHBondContact NE-OD2 3.42Å; R183-D185 VanDerWaalsContact NE-OD2 3.16Å; R183-D185 IonicContact NH2-OD1 3.38Å; R183-D185 PolarHBondContact NH2-OD1 2.73Å; R183-D185 IonicContact NH2-OD2 2.78Å; R183-D185 PolarHBondContact NH2-OD2 2.88Å | ||
| 184 | Y | 63.6 | Low | 76.9 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | trans | -121.9 | 94.7 | 172.5 | -53.7 | -62.9 | 0 | 0 | 0 | 107.9 | F182 N186 R192 | F182-Y184 HydrophobicContact CB-CD1 4.18Å; F182-Y184 HydrophobicContact CB-CD2 4.15Å; F182-Y184 HydrophobicContact CB-CE1 3.55Å; F182-Y184 HydrophobicContact CB-CE2 3.54Å; F182-Y184 HydrophobicContact CB-CG 4.49Å; F182-Y184 WeakPolarHBondContact CB-OH 3.44Å; F182-Y184 HydrophobicContact CG-CE1 4.33Å; F182-Y184 WeakPolarHBondContact O-CD2 3.43Å; F182-Y184 PolarHBondContact O-N 3.02Å; Y184-N186 PolarHBondContact O-N 3.49Å; Y184-R192 HydrophobicContact CD1-CB 3.75Å; Y184-R192 HydrophobicContact CD1-CG 3.74Å; Y184-R192 HydrophobicContact CE1-CB 3.65Å; Y184-R192 HydrophobicContact CE1-CG 3.31Å | ||
| 185 | D | 62.1 | Low | 76.6 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | trans | -69.1 | 130.7 | 166.9 | -63.5 | -25.8 | 0 | 0 | 0 | 106.4 | K12 R183 N187 N188 | K12-D185 IonicContact NZ-OD1 3.69Å; R183-D185 IonicContact CZ-OD1 3.59Å; R183-D185 IonicContact CZ-OD2 3.36Å; R183-D185 IonicContact NE-OD1 2.72Å; R183-D185 PolarHBondContact NE-OD1 3.15Å; R183-D185 IonicContact NE-OD2 3.77Å; R183-D185 PolarHBondContact NE-OD2 3.42Å; R183-D185 VanDerWaalsContact NE-OD2 3.16Å; R183-D185 IonicContact NH2-OD1 3.38Å; R183-D185 PolarHBondContact NH2-OD1 2.73Å; R183-D185 IonicContact NH2-OD2 2.78Å; R183-D185 PolarHBondContact NH2-OD2 2.88Å; D185-N187 PolarHBondContact O-N 3.16Å; D185-N188 PolarHBondContact O-N 3.4Å | ||
| 186 | N | 58.3 | Low | 76.3 | Confident | 152 Ų | 152 | 61.8 Ų | 61.8 | 81% | 0.813 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -17.4 | -172.8 | -81.9 | 1.3 | 0 | 0 | 0 | 114.8 | Y184 | Y184-N186 PolarHBondContact O-N 3.49Š|
| 187 | N | 59.7 | Low | 76.1 | Confident | 153 Ų | 153 | 58.8 Ų | 58.8 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -9.3 | 179.6 | -76.3 | 8.2 | 0 | 0 | 0 | 115.2 | D185 | D185-N187 PolarHBondContact O-N 3.16Š|
| 188 | N | 66.8 | Low | 75.9 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | trans | -117 | 45.2 | -170.3 | -74.8 | -12 | 0 | 0 | 0 | 114.4 | D185 T190 L191 | D185-N188 PolarHBondContact O-N 3.4Å; N188-T190 PolarHBondContact O-N 2.86Å; N188-L191 PolarHBondContact O-N 3.39Å | ||
| 189 | T | 67.7 | Low | 75.5 | Confident | 56 Ų | 56 | 60.3 Ų | 60.3 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -53 | -36.5 | 175.9 | -47.8 | 0 | 0 | 0 | 0 | 112.7 | L191 R192 V193 | T189-L191 VanDerWaalsContact C-N 3.34Å; T189-L191 PolarHBondContact O-N 3.44Å; T189-R192 PolarHBondContact O-N 3.48Å; T189-V193 HydrophobicContact CG2-CG2 4.16Å; T189-V193 VanDerWaalsContact O-CG2 3.29Å; T189-V193 WeakPolarHBondContact O-CG2 3.46Å; T189-V193 PolarHBondContact O-N 3.26Å |
| 190 | T | 73.1 | Confident | 75.3 | Confident | 125 Ų | 125 | 60.2 Ų | 60.2 | 77% | 0.767 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -57.9 | -41.8 | 179.3 | -44.7 | 0 | 0 | 0 | 0 | 113 | N188 G194 | N188-T190 PolarHBondContact O-N 2.86Å; T190-G194 PolarHBondContact O-N 2.94Å |
| 191 | L | 73.9 | Confident | 75.2 | Confident | 64 Ų | 64 | 64 Ų | 64 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.3 | -48.9 | 179.8 | 172.7 | 67.7 | 0 | 0 | 0 | 110.4 | H166 N188 T189 V193 G194 L195 | H166-L191 WeakPolarHBondContact CE1-CD2 3.37Å; H166-L191 WeakPolarHBondContact NE2-CD2 3.46Å; N188-L191 PolarHBondContact O-N 3.39Å; T189-L191 VanDerWaalsContact C-N 3.34Å; T189-L191 PolarHBondContact O-N 3.44Å; L191-V193 VanDerWaalsContact C-N 3.34Å; L191-V193 PolarHBondContact O-N 2.89Å; L191-G194 PolarHBondContact O-N 3.43Å; L191-L195 HydrophobicContact CD1-CD1 4.32Å; L191-L195 HydrophobicContact CD1-CG 4.27Å; L191-L195 HydrophobicContact CG-CD1 4.38Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.37Å; L191-L195 PolarHBondContact O-N 3.04Å |
| 192 | R | 70.3 | Confident | 75.4 | Confident | 60 Ų | 60 | 67 Ų | 67 | 23% | 0.226 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55 | -50.2 | 179.3 | 168.4 | -170.7 | -81.4 | -171.9 | -0.3 | 111.1 | Y184 T189 L195 G196 Q267 | Y184-R192 HydrophobicContact CD1-CB 3.75Å; Y184-R192 HydrophobicContact CD1-CG 3.74Å; Y184-R192 HydrophobicContact CE1-CB 3.65Å; Y184-R192 HydrophobicContact CE1-CG 3.31Å; T189-R192 PolarHBondContact O-N 3.48Å; R192-L195 PolarHBondContact O-N 2.93Å; R192-G196 PolarHBondContact O-N 3.31Å; R192-Q267 VanDerWaalsContact CD-CD 3.49Å; R192-Q267 HydrophobicContact CG-CB 4.26Å; R192-Q267 HydrophobicContact CG-CG 4.19Å |
| 193 | V | 75.6 | Confident | 75.7 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | T189 L191 L195 G196 L197 V264 L268 | T189-V193 HydrophobicContact CG2-CG2 4.16Å; T189-V193 VanDerWaalsContact O-CG2 3.29Å; T189-V193 WeakPolarHBondContact O-CG2 3.46Å; T189-V193 PolarHBondContact O-N 3.26Å; L191-V193 VanDerWaalsContact C-N 3.34Å; L191-V193 PolarHBondContact O-N 2.89Å; V193-L195 VanDerWaalsContact C-N 3.29Å; V193-L195 PolarHBondContact O-N 3.01Å; V193-G196 PolarHBondContact O-N 3.18Å; V193-L197 HydrophobicContact CG1-CD1 3.68Å; V193-L197 HydrophobicContact CG1-CG 4.19Å; V193-L197 WeakPolarHBondContact O-CB 3.5Å; V193-L197 WeakPolarHBondContact O-CG 3.37Å; V193-L197 PolarHBondContact O-N 3.41Å; V193-V264 HydrophobicContact CG1-CG1 3.99Å; V193-L268 HydrophobicContact CB-CD2 4.37Å; V193-L268 HydrophobicContact CG1-CD1 4.12Å; V193-L268 HydrophobicContact CG1-CD2 4.08Å; V193-L268 HydrophobicContact CG1-CG 4.19Å; V193-L268 HydrophobicContact CG2-CD1 4.43Å; V193-L268 HydrophobicContact CG2-CD2 3.52Å; V193-L268 HydrophobicContact CG2-CG 3.63Å |
| 194 | G | 80.7 | Confident | 76.7 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | T190 L191 S198 | T190-G194 PolarHBondContact O-N 2.94Å; L191-G194 PolarHBondContact O-N 3.43Å; G194-S198 WeakPolarHBondContact O-CB 3.2Å; G194-S198 PolarHBondContact O-N 3.35Å; G194-S198 PolarHBondContact O-OG 3.47Å |
| 195 | L | 79.5 | Confident | 78 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.8 | -41.6 | 176.5 | -66.3 | -178.2 | 0 | 0 | 0 | 112.9 | P162 L191 R192 V193 S198 K199 | P162-L195 HydrophobicContact CB-CD1 3.95Å; P162-L195 HydrophobicContact CB-CD2 3.24Å; P162-L195 HydrophobicContact CB-CG 4.22Å; P162-L195 HydrophobicContact CG-CD2 3.61Å; L191-L195 HydrophobicContact CD1-CD1 4.32Å; L191-L195 HydrophobicContact CD1-CG 4.27Å; L191-L195 HydrophobicContact CG-CD1 4.38Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.37Å; L191-L195 PolarHBondContact O-N 3.04Å; R192-L195 PolarHBondContact O-N 2.93Å; V193-L195 VanDerWaalsContact C-N 3.29Å; V193-L195 PolarHBondContact O-N 3.01Å; L195-S198 WeakPolarHBondContact CA-OG 3.34Å; L195-S198 PolarHBondContact O-OG 3.25Å; L195-K199 WeakPolarHBondContact O-CG 3.5Å; L195-K199 PolarHBondContact O-N 2.94Å |
| 196 | G | 80.8 | Confident | 79.5 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R192 V193 K199 N200 | R192-G196 PolarHBondContact O-N 3.31Å; V193-G196 PolarHBondContact O-N 3.18Å; G196-K199 PolarHBondContact O-N 3Å; G196-N200 PolarHBondContact O-N 3.36Å; G196-N200 VanDerWaalsContact O-N 3.16Å; G196-N200 PolarHBondContact O-ND2 3.42Å |
| 197 | L | 84.3 | Confident | 81.1 | Confident | 65 Ų | 65 | 55 Ų | 55 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 177.9 | -70.7 | 176.9 | 0 | 0 | 0 | 112.5 | V193 K199 N200 L201 F261 V264 | V193-L197 HydrophobicContact CG1-CD1 3.68Å; V193-L197 HydrophobicContact CG1-CG 4.19Å; V193-L197 WeakPolarHBondContact O-CB 3.5Å; V193-L197 WeakPolarHBondContact O-CG 3.37Å; V193-L197 PolarHBondContact O-N 3.41Å; L197-K199 VanDerWaalsContact C-N 3.31Å; L197-K199 PolarHBondContact O-N 3.18Å; L197-N200 PolarHBondContact O-N 3.43Å; L197-L201 WeakPolarHBondContact O-CB 3.4Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 2.95Å; L197-F261 HydrophobicContact CD2-CD2 4.44Å; L197-F261 HydrophobicContact CD2-CE2 4.28Å; L197-V264 HydrophobicContact CD2-CG1 4.28Å; L197-V264 HydrophobicContact CG-CG1 4.25Å |
| 198 | S | 84.9 | Confident | 82.5 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 175.9 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | G194 L195 L201 L202 | G194-S198 WeakPolarHBondContact O-CB 3.2Å; G194-S198 PolarHBondContact O-N 3.35Å; G194-S198 PolarHBondContact O-OG 3.47Å; L195-S198 WeakPolarHBondContact CA-OG 3.34Å; L195-S198 PolarHBondContact O-OG 3.25Å; S198-L201 PolarHBondContact O-N 2.88Å; S198-L202 WeakPolarHBondContact O-CA 3.38Å; S198-L202 VanDerWaalsContact O-CB 3.26Å; S198-L202 WeakPolarHBondContact O-CB 3.4Å; S198-L202 PolarHBondContact O-N 3.22Å |
| 199 | K | 84.9 | Confident | 83.7 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 21% | 0.213 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 172 | -76.2 | 179.4 | 178 | -178.3 | 0 | 112.4 | Y113 L195 G196 L197 G203 | Y113-K199 WeakPolarHBondContact OH-CA 3.25Å; Y113-K199 WeakPolarHBondContact OH-CG 3.27Å; L195-K199 WeakPolarHBondContact O-CG 3.5Å; L195-K199 PolarHBondContact O-N 2.94Å; G196-K199 PolarHBondContact O-N 3Å; L197-K199 VanDerWaalsContact C-N 3.31Å; L197-K199 PolarHBondContact O-N 3.18Å; K199-G203 CarbonylContact O-C 3.59Å; K199-G203 WeakPolarHBondContact O-CA 3.46Å; K199-G203 PolarHBondContact O-N 3.17Å |
| 200 | N | 87.3 | Confident | 85 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.7 | -82.6 | -82.2 | 0 | 0 | 0 | 112.4 | G196 L197 F204 L205 Q257 | G196-N200 PolarHBondContact O-N 3.36Å; G196-N200 VanDerWaalsContact O-N 3.16Å; G196-N200 PolarHBondContact O-ND2 3.42Å; L197-N200 PolarHBondContact O-N 3.43Å; N200-F204 WeakPolarHBondContact O-CB 3.36Å; N200-L205 PolarHBondContact O-N 3.43Å; N200-Q257 PolarHBondContact OD1-O 3.05Å |
| 201 | L | 90.3 | Very high | 85.8 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -79.2 | -57.8 | -176.9 | -68.7 | 176.5 | 0 | 0 | 0 | 112.4 | L197 S198 L205 I206 | L197-L201 WeakPolarHBondContact O-CB 3.4Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 2.95Å; S198-L201 PolarHBondContact O-N 2.88Å; L201-L205 HydrophobicContact CD2-CB 4.47Å; L201-L205 HydrophobicContact CD2-CD2 3.75Å; L201-L205 PolarHBondContact O-N 3.11Å; L201-I206 HydrophobicContact CB-CD1 4.49Å; L201-I206 WeakPolarHBondContact O-CB 3.35Å; L201-I206 PolarHBondContact O-N 3.3Å |
| 202 | L | 90.1 | Very high | 86.6 | Confident | 78 Ų | 78 | 45.3 Ų | 45.3 | 41% | 0.408 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -81.1 | -33.1 | -174.3 | -60.5 | 175.2 | 0 | 0 | 0 | 112.5 | Y113 F117 S198 I206 P207 | Y113-L202 HydrophobicContact CE1-CB 4.08Å; F117-L202 WeakPolarHBondContact CE1-O 3.2Å; S198-L202 WeakPolarHBondContact O-CA 3.38Å; S198-L202 VanDerWaalsContact O-CB 3.26Å; S198-L202 WeakPolarHBondContact O-CB 3.4Å; S198-L202 PolarHBondContact O-N 3.22Å; L202-I206 HydrophobicContact CD2-CD1 4.04Å; L202-P207 WeakPolarHBondContact O-CD 3.39Å; L202-P207 WeakPolarHBondContact O-CG 3.2Å |
| 203 | G | 87.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -85.1 | -12.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K199 | K199-G203 CarbonylContact O-C 3.59Å; K199-G203 WeakPolarHBondContact O-CA 3.46Å; K199-G203 PolarHBondContact O-N 3.17Å |
| 204 | F | 89.2 | Confident | 88.3 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -144.5 | -67.6 | -175.8 | -174.3 | -96.2 | 0 | 0 | 0 | 114.5 | N200 I206 P207 F208 F250 W253 I254 Q257 | N200-F204 WeakPolarHBondContact O-CB 3.36Å; F204-I206 PolarHBondContact O-N 2.84Å; F204-P207 WeakPolarHBondContact O-CD 3.36Å; F204-F208 WeakPolarHBondContact O-CB 3.42Å; F204-F208 PolarHBondContact O-N 3.29Å; F204-F250 HydrophobicContact CD2-CD1 4.22Å; F204-F250 AromaticContact CE2-CD1 3.61Å; F204-F250 HydrophobicContact CE2-CD1 3.61Å; F204-F250 HydrophobicContact CE2-CE1 4.34Å; F204-F250 HydrophobicContact CZ-CD1 4.05Å; F204-W253 HydrophobicContact CD2-CB 4.13Å; F204-W253 HydrophobicContact CE2-CB 4.16Å; F204-I254 HydrophobicContact CE1-CG1 4.34Å; F204-I254 HydrophobicContact CE2-CG1 3.85Å; F204-I254 HydrophobicContact CZ-CB 4.49Å; F204-I254 HydrophobicContact CZ-CD1 4.26Å; F204-I254 HydrophobicContact CZ-CG1 3.36Å; F204-Q257 HydrophobicContact CB-CG 3.79Å; F204-Q257 HydrophobicContact CD1-CG 4.28Å; F204-Q257 HydrophobicContact CD2-CG 3.73Å; F204-Q257 HydrophobicContact CE2-CG 4.39Å; F204-Q257 HydrophobicContact CG-CB 4.41Å; F204-Q257 HydrophobicContact CG-CG 3.67Å |
| 205 | L | 91 | Very high | 88.6 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -62.3 | -50.9 | -166.5 | -177.7 | 63.2 | 0 | 0 | 0 | 113.4 | N200 L201 F208 L209 | N200-L205 PolarHBondContact O-N 3.43Å; L201-L205 HydrophobicContact CD2-CB 4.47Å; L201-L205 HydrophobicContact CD2-CD2 3.75Å; L201-L205 PolarHBondContact O-N 3.11Å; L205-F208 WeakPolarHBondContact O-CB 3.35Å; L205-F208 PolarHBondContact O-N 3.41Å; L205-L209 HydrophobicContact CD1-CD1 4.27Å; L205-L209 HydrophobicContact CD1-CG 4.34Å; L205-L209 HydrophobicContact CG-CD1 4.27Å; L205-L209 VanDerWaalsContact O-CG 3.32Å; L205-L209 WeakPolarHBondContact O-CG 3.12Å; L205-L209 PolarHBondContact O-N 2.87Å |
| 206 | I | 93.1 | Very high | 89 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 41% | 0.41 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.8 | -52 | -179.4 | -69.1 | 163.7 | 0 | 0 | 0 | 110.8 | L201 L202 F204 F208 L209 I210 | L201-I206 HydrophobicContact CB-CD1 4.49Å; L201-I206 WeakPolarHBondContact O-CB 3.35Å; L201-I206 PolarHBondContact O-N 3.3Å; L202-I206 HydrophobicContact CD2-CD1 4.04Å; F204-I206 PolarHBondContact O-N 2.84Å; I206-F208 VanDerWaalsContact C-N 3.28Å; I206-F208 PolarHBondContact O-N 2.8Å; I206-L209 PolarHBondContact O-N 2.9Å; I206-I210 HydrophobicContact CG2-CD1 3.96Å; I206-I210 WeakPolarHBondContact O-CG1 3.2Å; I206-I210 PolarHBondContact O-N 2.71Å; I206-I210 VanDerWaalsContact O-N 3.13Å |
| 207 | P | 92 | Very high | 89.4 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.6 | -44 | 172.2 | -28.5 | 34.5 | 0 | 0 | 0 | 113.6 | V116 F117 T120 L202 F204 L209 I210 I211 | V116-P207 HydrophobicContact CG1-CB 4.1Å; V116-P207 HydrophobicContact CG1-CG 3.66Å; V116-P207 HydrophobicContact CG2-CB 3.61Å; V116-P207 HydrophobicContact CG2-CG 4.03Å; F117-P207 HydrophobicContact CE1-CG 4.42Å; T120-P207 WeakPolarHBondContact OG1-CB 3.38Å; L202-P207 WeakPolarHBondContact O-CD 3.39Å; L202-P207 WeakPolarHBondContact O-CG 3.2Å; F204-P207 WeakPolarHBondContact O-CD 3.36Å; P207-L209 PolarHBondContact O-N 2.98Å; P207-I210 PolarHBondContact O-N 3.11Å; P207-I211 WeakPolarHBondContact O-CB 3.19Å; P207-I211 WeakPolarHBondContact O-CD1 3.27Å; P207-I211 WeakPolarHBondContact O-CG1 3.27Å; P207-I211 PolarHBondContact O-N 3.21Å |
| 208 | F | 90.2 | Very high | 89.6 | Confident | 58 Ų | 58 | 46 Ų | 46 | 25% | 0.254 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 178.3 | 175.3 | -108.9 | 0 | 0 | 0 | 112.3 | F204 L205 I206 I210 I211 L212 F250 | F204-F208 WeakPolarHBondContact O-CB 3.42Å; F204-F208 PolarHBondContact O-N 3.29Å; L205-F208 WeakPolarHBondContact O-CB 3.35Å; L205-F208 PolarHBondContact O-N 3.41Å; I206-F208 VanDerWaalsContact C-N 3.28Å; I206-F208 PolarHBondContact O-N 2.8Å; F208-I210 VanDerWaalsContact C-N 3.33Å; F208-I210 PolarHBondContact O-N 3.45Å; F208-I211 PolarHBondContact O-N 2.93Å; F208-L212 HydrophobicContact CE1-CD2 4.02Å; F208-L212 HydrophobicContact CZ-CD2 4.07Å; F208-L212 WeakPolarHBondContact O-CB 3.32Å; F208-L212 PolarHBondContact O-N 3.47Å; F208-F250 VanDerWaalsContact CA-CZ 3.41Å; F208-F250 HydrophobicContact CB-CD1 4.06Å; F208-F250 HydrophobicContact CB-CE1 3.45Å; F208-F250 VanDerWaalsContact CB-CE1 3.45Å; F208-F250 HydrophobicContact CB-CZ 3.82Å; F208-F250 HydrophobicContact CD2-CB 4.38Å; F208-F250 AromaticContact CD2-CD1 3.4Å; F208-F250 HydrophobicContact CD2-CD1 3.4Å; F208-F250 VanDerWaalsContact CD2-CD1 3.4Å; F208-F250 AromaticContact CD2-CD2 3.62Å; F208-F250 HydrophobicContact CD2-CD2 3.62Å; F208-F250 AromaticContact CD2-CE1 3.47Å; F208-F250 HydrophobicContact CD2-CE1 3.47Å; F208-F250 VanDerWaalsContact CD2-CE1 3.47Å; F208-F250 AromaticContact CD2-CE2 3.62Å; F208-F250 HydrophobicContact CD2-CE2 3.62Å; F208-F250 AromaticContact CD2-CG 3.52Å; F208-F250 HydrophobicContact CD2-CG 3.52Å; F208-F250 AromaticContact CD2-CZ 3.59Å; F208-F250 HydrophobicContact CD2-CZ 3.59Å; F208-F250 HydrophobicContact CE2-CB 4.43Å; F208-F250 HydrophobicContact CE2-CD1 4.24Å; F208-F250 AromaticContact CE2-CD2 3.98Å; F208-F250 HydrophobicContact CE2-CD2 3.98Å; F208-F250 HydrophobicContact CE2-CE2 4.31Å; F208-F250 AromaticContact CE2-CG 3.94Å; F208-F250 HydrophobicContact CE2-CG 3.94Å; F208-F250 HydrophobicContact CG-CD1 4.13Å; F208-F250 AromaticContact CG-CE1 3.93Å; F208-F250 HydrophobicContact CG-CE1 3.93Å; F208-F250 HydrophobicContact CG-CZ 4.19Å |
| 209 | L | 92.1 | Very high | 89.6 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | -179.8 | -67.4 | 175.1 | 0 | 0 | 0 | 112 | L205 I206 P207 T213 | L205-L209 HydrophobicContact CD1-CD1 4.27Å; L205-L209 HydrophobicContact CD1-CG 4.34Å; L205-L209 HydrophobicContact CG-CD1 4.27Å; L205-L209 VanDerWaalsContact O-CG 3.32Å; L205-L209 WeakPolarHBondContact O-CG 3.12Å; L205-L209 PolarHBondContact O-N 2.87Å; I206-L209 PolarHBondContact O-N 2.9Å; P207-L209 PolarHBondContact O-N 2.98Å; L209-T213 VanDerWaalsContact O-CB 3.27Å; L209-T213 WeakPolarHBondContact O-CB 3.25Å; L209-T213 PolarHBondContact O-N 3.33Å; L209-T213 PolarHBondContact O-OG1 2.83Å |
| 210 | I | 93.5 | Very high | 89.6 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 34% | 0.338 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 176.8 | -64.8 | 167.7 | 0 | 0 | 0 | 110.7 | T120 I124 I206 P207 F208 T213 S214 | T120-I210 HydrophobicContact CG2-CB 3.99Å; T120-I210 HydrophobicContact CG2-CD1 4.08Å; T120-I210 HydrophobicContact CG2-CG2 3.58Å; I124-I210 HydrophobicContact CD1-CG2 3.97Å; I124-I210 HydrophobicContact CG1-CG2 4.03Å; I206-I210 HydrophobicContact CG2-CD1 3.96Å; I206-I210 WeakPolarHBondContact O-CG1 3.2Å; I206-I210 PolarHBondContact O-N 2.71Å; I206-I210 VanDerWaalsContact O-N 3.13Å; P207-I210 PolarHBondContact O-N 3.11Å; F208-I210 VanDerWaalsContact C-N 3.33Å; F208-I210 PolarHBondContact O-N 3.45Å; I210-T213 PolarHBondContact O-N 3.32Å; I210-S214 WeakPolarHBondContact O-CB 3.35Å; I210-S214 PolarHBondContact O-N 3.28Å; I210-S214 PolarHBondContact O-OG 3.48Å |
| 211 | I | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -48.2 | -179.3 | -70.9 | 168 | 0 | 0 | 0 | 110.3 | L119 T120 P207 F208 T213 S214 Y215 V246 F250 | L119-I211 HydrophobicContact CB-CD1 4.26Å; T120-I211 HydrophobicContact CG2-CG1 4.49Å; P207-I211 WeakPolarHBondContact O-CB 3.19Å; P207-I211 WeakPolarHBondContact O-CD1 3.27Å; P207-I211 WeakPolarHBondContact O-CG1 3.27Å; P207-I211 PolarHBondContact O-N 3.21Å; F208-I211 PolarHBondContact O-N 2.93Å; I211-T213 VanDerWaalsContact C-N 3.33Å; I211-T213 PolarHBondContact O-N 3.33Å; I211-S214 WeakPolarHBondContact O-CB 3.34Å; I211-S214 PolarHBondContact O-N 2.91Å; I211-S214 VanDerWaalsContact O-N 3.16Å; I211-Y215 HydrophobicContact CG2-CD2 3.67Å; I211-Y215 HydrophobicContact CG2-CE2 3.68Å; I211-Y215 VanDerWaalsContact O-CD2 3.24Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; I211-Y215 PolarHBondContact O-N 2.9Å; I211-V246 HydrophobicContact CG2-CB 4.3Å; I211-V246 HydrophobicContact CG2-CG1 3.24Å; I211-V246 HydrophobicContact CG2-CG2 4.08Å; I211-F250 HydrophobicContact CB-CE2 4.06Å; I211-F250 HydrophobicContact CB-CZ 4.07Å; I211-F250 HydrophobicContact CD1-CE2 4.12Å; I211-F250 HydrophobicContact CD1-CZ 3.6Å; I211-F250 HydrophobicContact CG1-CZ 4.4Å; I211-F250 HydrophobicContact CG2-CE2 3.76Å; I211-F250 HydrophobicContact CG2-CZ 4.25Å |
| 212 | L | 89.8 | Confident | 89.2 | Confident | 75 Ų | 75 | 55 Ų | 55 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.3 | -46 | 176.3 | -178.9 | 63.9 | 0 | 0 | 0 | 111.4 | F208 S214 Y215 T216 | F208-L212 HydrophobicContact CE1-CD2 4.02Å; F208-L212 HydrophobicContact CZ-CD2 4.07Å; F208-L212 WeakPolarHBondContact O-CB 3.32Å; F208-L212 PolarHBondContact O-N 3.47Å; L212-S214 VanDerWaalsContact C-N 3.35Å; L212-S214 PolarHBondContact O-N 3.44Å; L212-Y215 PolarHBondContact O-N 3.31Å; L212-T216 HydrophobicContact CD1-CG2 4.15Å; L212-T216 HydrophobicContact CG-CG2 4.4Å; L212-T216 WeakPolarHBondContact O-CB 3.46Å; L212-T216 WeakPolarHBondContact O-CG2 3.16Å; L212-T216 PolarHBondContact O-N 2.97Å; L212-T216 PolarHBondContact O-OG1 2.91Å |
| 213 | T | 91.1 | Very high | 88.8 | Confident | 76 Ų | 76 | 57 Ų | 57 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | L209 I210 I211 Y215 T216 L217 | L209-T213 VanDerWaalsContact O-CB 3.27Å; L209-T213 WeakPolarHBondContact O-CB 3.25Å; L209-T213 PolarHBondContact O-N 3.33Å; L209-T213 PolarHBondContact O-OG1 2.83Å; I210-T213 PolarHBondContact O-N 3.32Å; I211-T213 VanDerWaalsContact C-N 3.33Å; I211-T213 PolarHBondContact O-N 3.33Å; T213-Y215 PolarHBondContact O-N 2.92Å; T213-T216 WeakPolarHBondContact CA-OG1 3.23Å; T213-T216 PolarHBondContact O-N 3.19Å; T213-T216 PolarHBondContact O-OG1 3.03Å; T213-L217 HydrophobicContact CG2-CD1 4.11Å; T213-L217 HydrophobicContact CG2-CG 4.48Å; T213-L217 WeakPolarHBondContact O-CB 3.17Å; T213-L217 VanDerWaalsContact O-CG 3.27Å; T213-L217 WeakPolarHBondContact O-CG 3.48Å; T213-L217 PolarHBondContact O-N 2.91Å |
| 214 | S | 91.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | I210 I211 L212 L217 I218 | I210-S214 WeakPolarHBondContact O-CB 3.35Å; I210-S214 PolarHBondContact O-N 3.28Å; I210-S214 PolarHBondContact O-OG 3.48Å; I211-S214 WeakPolarHBondContact O-CB 3.34Å; I211-S214 PolarHBondContact O-N 2.91Å; I211-S214 VanDerWaalsContact O-N 3.16Å; L212-S214 VanDerWaalsContact C-N 3.35Å; L212-S214 PolarHBondContact O-N 3.44Å; S214-L217 PolarHBondContact O-N 2.88Å; S214-I218 WeakPolarHBondContact O-CD1 3.24Å; S214-I218 VanDerWaalsContact O-CG1 3.22Å; S214-I218 WeakPolarHBondContact O-CG1 3.23Å; S214-I218 PolarHBondContact O-N 2.81Å |
| 215 | Y | 87.1 | Confident | 88.1 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 9% | 0.09 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.8 | -34.5 | -179.5 | -76.9 | -68.9 | 0 | 0 | 0 | 114 | S123 I211 L212 T213 L217 I218 W219 F239 I242 V243 V246 | S123-Y215 VanDerWaalsContact OG-CE2 3.3Å; S123-Y215 WeakPolarHBondContact OG-CE2 3.46Å; S123-Y215 PolarHBondContact OG-OH 3.13Å; I211-Y215 HydrophobicContact CG2-CD2 3.67Å; I211-Y215 HydrophobicContact CG2-CE2 3.68Å; I211-Y215 VanDerWaalsContact O-CD2 3.24Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; I211-Y215 PolarHBondContact O-N 2.9Å; L212-Y215 PolarHBondContact O-N 3.31Å; T213-Y215 PolarHBondContact O-N 2.92Å; Y215-L217 VanDerWaalsContact C-N 3.35Å; Y215-I218 HydrophobicContact CD1-CD1 4.03Å; Y215-I218 HydrophobicContact CE1-CD1 4.18Å; Y215-I218 PolarHBondContact O-N 3.46Å; Y215-W219 VanDerWaalsContact O-CB 3.3Å; Y215-W219 WeakPolarHBondContact O-CB 3.28Å; Y215-W219 PolarHBondContact O-N 3.07Å; Y215-F239 AromaticContact CD1-CE2 3.6Å; Y215-F239 HydrophobicContact CD1-CE2 3.6Å; Y215-F239 HydrophobicContact CD1-CZ 4.06Å; Y215-F239 HydrophobicContact CE1-CD2 4.19Å; Y215-F239 AromaticContact CE1-CE2 3.63Å; Y215-F239 HydrophobicContact CE1-CE2 3.63Å; Y215-F239 HydrophobicContact CE1-CZ 4.42Å; Y215-I242 WeakPolarHBondContact OH-CG2 3.25Å; Y215-V243 HydrophobicContact CD1-CG2 3.55Å; Y215-V243 HydrophobicContact CE1-CG2 3.5Å; Y215-V243 HydrophobicContact CG-CG2 4.47Å; Y215-V246 HydrophobicContact CD2-CG1 4.13Å; Y215-V246 HydrophobicContact CE2-CB 4.12Å; Y215-V246 HydrophobicContact CE2-CG1 3.92Å; Y215-V246 HydrophobicContact CE2-CG2 3.7Å |
| 216 | T | 88 | Confident | 87.4 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 36% | 0.362 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 175 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | L212 T213 W219 K220 | L212-T216 HydrophobicContact CD1-CG2 4.15Å; L212-T216 HydrophobicContact CG-CG2 4.4Å; L212-T216 WeakPolarHBondContact O-CB 3.46Å; L212-T216 WeakPolarHBondContact O-CG2 3.16Å; L212-T216 PolarHBondContact O-N 2.97Å; L212-T216 PolarHBondContact O-OG1 2.91Å; T213-T216 WeakPolarHBondContact CA-OG1 3.23Å; T213-T216 PolarHBondContact O-N 3.19Å; T213-T216 PolarHBondContact O-OG1 3.03Å; T216-W219 PolarHBondContact O-N 2.96Å; T216-K220 WeakPolarHBondContact O-CB 3.34Å; T216-K220 VanDerWaalsContact O-CG 3.32Å; T216-K220 WeakPolarHBondContact O-CG 3.47Å; T216-K220 PolarHBondContact O-N 3.47Å |
| 217 | L | 90.4 | Very high | 86.5 | Confident | 64 Ų | 64 | 71.7 Ų | 71.7 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 174.1 | -68.2 | 175.9 | 0 | 0 | 0 | 112.1 | Y127 T213 S214 Y215 K220 T221 | Y127-L217 HydrophobicContact CD2-CB 3.9Å; Y127-L217 HydrophobicContact CD2-CD1 4.32Å; Y127-L217 HydrophobicContact CE2-CB 3.68Å; Y127-L217 HydrophobicContact CE2-CD1 3.71Å; Y127-L217 HydrophobicContact CE2-CG 4.34Å; T213-L217 HydrophobicContact CG2-CD1 4.11Å; T213-L217 HydrophobicContact CG2-CG 4.48Å; T213-L217 WeakPolarHBondContact O-CB 3.17Å; T213-L217 VanDerWaalsContact O-CG 3.27Å; T213-L217 WeakPolarHBondContact O-CG 3.48Å; T213-L217 PolarHBondContact O-N 2.91Å; S214-L217 PolarHBondContact O-N 2.88Å; Y215-L217 VanDerWaalsContact C-N 3.35Å; L217-K220 PolarHBondContact O-N 3.41Å; L217-T221 WeakPolarHBondContact O-CB 3.5Å; L217-T221 PolarHBondContact O-N 3.23Å; L217-T221 PolarHBondContact O-OG1 3.37Å |
| 218 | I | 87.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 173.3 | -65.9 | 162.9 | 0 | 0 | 0 | 110.3 | R126 Y127 I130 V131 S214 Y215 K220 T221 L222 F239 | R126-I218 HydrophobicContact CB-CD1 4.16Å; Y127-I218 HydrophobicContact CD2-CG1 4.27Å; I130-I218 HydrophobicContact CD1-CD1 4.44Å; I130-I218 HydrophobicContact CD1-CG2 3.84Å; I130-I218 HydrophobicContact CG2-CG2 4.13Å; V131-I218 HydrophobicContact CG2-CG1 4.38Å; S214-I218 WeakPolarHBondContact O-CD1 3.24Å; S214-I218 VanDerWaalsContact O-CG1 3.22Å; S214-I218 WeakPolarHBondContact O-CG1 3.23Å; S214-I218 PolarHBondContact O-N 2.81Å; Y215-I218 HydrophobicContact CD1-CD1 4.03Å; Y215-I218 HydrophobicContact CE1-CD1 4.18Å; Y215-I218 PolarHBondContact O-N 3.46Å; I218-K220 PolarHBondContact O-N 3.39Å; I218-T221 WeakPolarHBondContact O-CB 3.22Å; I218-T221 PolarHBondContact O-N 3.24Å; I218-T221 VanDerWaalsContact O-N 3.09Å; I218-L222 HydrophobicContact CG2-CD1 3.66Å; I218-L222 HydrophobicContact CG2-CG 4.05Å; I218-L222 WeakPolarHBondContact O-CG 3.15Å; I218-L222 PolarHBondContact O-N 3.41Å; I218-F239 HydrophobicContact CB-CE2 4.14Å; I218-F239 HydrophobicContact CB-CZ 4.45Å; I218-F239 HydrophobicContact CD1-CE2 4.02Å; I218-F239 HydrophobicContact CG2-CD2 4.14Å; I218-F239 HydrophobicContact CG2-CE2 3.35Å; I218-F239 HydrophobicContact CG2-CZ 3.62Å |
| 219 | W | 84.2 | Confident | 84.8 | Confident | 166 Ų | 166 | 81.2 Ų | 81.2 | 63% | 0.629 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.8 | -48.3 | 178.9 | 176.7 | -103.1 | 0 | 0 | 0 | 112 | Y215 T216 T221 L222 K223 | Y215-W219 VanDerWaalsContact O-CB 3.3Å; Y215-W219 WeakPolarHBondContact O-CB 3.28Å; Y215-W219 PolarHBondContact O-N 3.07Å; T216-W219 PolarHBondContact O-N 2.96Å; W219-T221 VanDerWaalsContact C-N 3.26Å; W219-T221 PolarHBondContact O-N 3.44Å; W219-L222 PolarHBondContact O-N 3.2Å; W219-K223 VanDerWaalsContact O-CB 3.31Å; W219-K223 WeakPolarHBondContact O-CB 3.45Å; W219-K223 PolarHBondContact O-N 3.48Å |
| 220 | K | 86.9 | Confident | 83.2 | Confident | 129 Ų | 129 | 85.5 Ų | 85.5 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.6 | -40.6 | 175.9 | -75.7 | 177 | -178.6 | -179.8 | 0 | 111.8 | T216 L217 I218 K224 | T216-K220 WeakPolarHBondContact O-CB 3.34Å; T216-K220 VanDerWaalsContact O-CG 3.32Å; T216-K220 WeakPolarHBondContact O-CG 3.47Å; T216-K220 PolarHBondContact O-N 3.47Å; L217-K220 PolarHBondContact O-N 3.41Å; I218-K220 PolarHBondContact O-N 3.39Å; K220-K224 WeakPolarHBondContact O-CG 3.08Å; K220-K224 PolarHBondContact O-N 3.31Å |
| 221 | T | 85.9 | Confident | 81.4 | Confident | 49 Ų | 49 | 90 Ų | 90 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.5 | -46.1 | -179.1 | -56 | 0 | 0 | 0 | 0 | 111.4 | V131 L217 I218 W219 K224 A225 | V131-T221 HydrophobicContact CG1-CG2 4.45Å; V131-T221 HydrophobicContact CG2-CG2 4.2Å; L217-T221 WeakPolarHBondContact O-CB 3.5Å; L217-T221 PolarHBondContact O-N 3.23Å; L217-T221 PolarHBondContact O-OG1 3.37Å; I218-T221 WeakPolarHBondContact O-CB 3.22Å; I218-T221 PolarHBondContact O-N 3.24Å; I218-T221 VanDerWaalsContact O-N 3.09Å; W219-T221 VanDerWaalsContact C-N 3.26Å; W219-T221 PolarHBondContact O-N 3.44Å; T221-K224 PolarHBondContact O-N 3.24Å; T221-A225 PolarHBondContact O-N 3.14Å |
| 222 | L | 82.6 | Confident | 79.8 | Confident | 31 Ų | 31 | 97.4 Ų | 97.4 | 16% | 0.162 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 177.3 | -70.4 | 177.3 | 0 | 0 | 0 | 111.7 | I130 I218 W219 K224 A225 Y226 F239 | I130-L222 HydrophobicContact CG2-CD2 3.99Å; I130-L222 HydrophobicContact CG2-CG 4.34Å; I218-L222 HydrophobicContact CG2-CD1 3.66Å; I218-L222 HydrophobicContact CG2-CG 4.05Å; I218-L222 WeakPolarHBondContact O-CG 3.15Å; I218-L222 PolarHBondContact O-N 3.41Å; W219-L222 PolarHBondContact O-N 3.2Å; L222-K224 PolarHBondContact O-N 3.48Å; L222-A225 PolarHBondContact O-N 3.37Å; L222-Y226 WeakPolarHBondContact O-CB 3.36Å; L222-Y226 PolarHBondContact O-N 2.85Å; L222-F239 HydrophobicContact CD1-CD1 4.26Å; L222-F239 HydrophobicContact CD1-CE1 3.9Å; L222-F239 HydrophobicContact CD1-CZ 4.12Å |
| 223 | K | 81.5 | Confident | 78 | Confident | 120 Ų | 120 | 100.5 Ų | 100.5 | 52% | 0.522 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.3 | -172.2 | 177.1 | -178.6 | -180 | 0 | 111.6 | W219 Y226 Q227 | W219-K223 VanDerWaalsContact O-CB 3.31Å; W219-K223 WeakPolarHBondContact O-CB 3.45Å; W219-K223 PolarHBondContact O-N 3.48Å; K223-Y226 PolarHBondContact O-N 2.98Å; K223-Q227 WeakPolarHBondContact O-CG 3.17Å; K223-Q227 PolarHBondContact O-N 3.26Å; K223-Q227 VanDerWaalsContact O-N 3.09Å |
| 224 | K | 83.3 | Confident | 76.4 | Confident | 142 Ų | 142 | 104 Ų | 104 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 174.9 | -73.5 | -179.3 | 179.5 | -172.9 | 0 | 111.9 | K220 T221 L222 Y226 Q227 I228 | K220-K224 WeakPolarHBondContact O-CG 3.08Å; K220-K224 PolarHBondContact O-N 3.31Å; T221-K224 PolarHBondContact O-N 3.24Å; L222-K224 PolarHBondContact O-N 3.48Å; K224-Y226 VanDerWaalsContact C-N 3.35Å; K224-Y226 PolarHBondContact O-N 2.74Å; K224-Q227 PolarHBondContact O-N 2.87Å; K224-I228 WeakPolarHBondContact O-CG1 3.39Å; K224-I228 PolarHBondContact O-N 3.28Å |
| 225 | A | 79.6 | Confident | 74.8 | Confident | 41 Ų | 41 | 108.1 Ų | 108.1 | 34% | 0.339 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T221 L222 I228 Q229 | T221-A225 PolarHBondContact O-N 3.14Å; L222-A225 PolarHBondContact O-N 3.37Å; A225-I228 PolarHBondContact O-N 3.44Å; A225-Q229 PolarHBondContact O-N 3.47Å |
| 226 | Y | 74.8 | Confident | 73.8 | Confident | 165 Ų | 165 | 109 Ų | 109 | 65% | 0.647 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 177 | -177 | -99.8 | 0 | 0 | 0 | 112.4 | L222 K223 K224 I228 Q229 | L222-Y226 WeakPolarHBondContact O-CB 3.36Å; L222-Y226 PolarHBondContact O-N 2.85Å; K223-Y226 PolarHBondContact O-N 2.98Å; K224-Y226 VanDerWaalsContact C-N 3.35Å; K224-Y226 PolarHBondContact O-N 2.74Å; Y226-I228 PolarHBondContact O-N 3.22Å; Y226-Q229 CarbonylContact O-C 3.54Å; Y226-Q229 PolarHBondContact O-N 2.86Å |
| 227 | Q | 74.9 | Confident | 72.9 | Confident | 141 Ų | 141 | 107.6 Ų | 107.6 | 66% | 0.659 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -32.3 | 174.9 | -74.4 | 177.4 | -27.8 | 0 | 0 | 112.5 | K223 K224 | K223-Q227 WeakPolarHBondContact O-CG 3.17Å; K223-Q227 PolarHBondContact O-N 3.26Å; K223-Q227 VanDerWaalsContact O-N 3.09Å; K224-Q227 PolarHBondContact O-N 2.87Å |
| 228 | I | 77.6 | Confident | 71.7 | Confident | 143 Ų | 143 | 108.7 Ų | 108.7 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -85 | -35.1 | -179.3 | -62.5 | 166.9 | 0 | 0 | 0 | 111.8 | K224 A225 Y226 | K224-I228 WeakPolarHBondContact O-CG1 3.39Å; K224-I228 PolarHBondContact O-N 3.28Å; A225-I228 PolarHBondContact O-N 3.44Å; Y226-I228 PolarHBondContact O-N 3.22Å |
| 229 | Q | 68.4 | Low | 70.9 | Confident | 119 Ų | 119 | 110.1 Ų | 110.1 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | trans | -120.7 | 80 | -176.3 | -83.3 | 174 | -13 | 0 | 0 | 112.1 | A225 Y226 N231 | A225-Q229 PolarHBondContact O-N 3.47Å; Y226-Q229 CarbonylContact O-C 3.54Å; Y226-Q229 PolarHBondContact O-N 2.86Å; Q229-N231 PolarHBondContact O-N 3.49Å | ||
| 230 | K | 59.6 | Low | 70.4 | Confident | 176 Ų | 176 | 107.7 Ų | 107.7 | 77% | 0.765 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.8 | -176.3 | -142.3 | 175.6 | -176.3 | -178.8 | 0 | 115 | ||
| 231 | N | 55.5 | Low | 69.7 | Low | 161 Ų | 161 | 102 Ų | 102 | 86% | 0.861 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 9.2 | -168.4 | -74.3 | -3.7 | 0 | 0 | 0 | 116.1 | Q229 | Q229-N231 PolarHBondContact O-N 3.49Š|
| 232 | K | 56.9 | Low | 69 | Low | 156 Ų | 156 | 99.7 Ų | 99.7 | 68% | 0.678 | 48% | 0.475 | S | S | * | . | trans | -99.5 | 105.2 | 179 | -149.4 | 170.8 | -170.2 | 171.5 | 0 | 110.7 | R234 | K232-R234 PolarHBondContact O-N 2.83Š| ||
| 233 | T | 51.2 | Low | 68.7 | Low | 140 Ų | 140 | 99.8 Ų | 99.8 | 86% | 0.859 | 48% | 0.477 | S | S | * | . | trans | -64.4 | 99.3 | 167.6 | 44.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 234 | R | 58.6 | Low | 68.6 | Low | 150 Ų | 150 | 95.3 Ų | 95.3 | 57% | 0.566 | 46% | 0.462 | S | S | * | . | trans | -99.2 | 109.6 | 178.7 | -161.2 | 179.3 | 168.1 | 154.7 | 1 | 109.5 | K232 D236 | K232-R234 PolarHBondContact O-N 2.83Å; R234-D236 VanDerWaalsContact CD-OD2 3.25Å; R234-D236 WeakPolarHBondContact CD-OD2 3.03Å; R234-D236 WeakPolarHBondContact CG-OD1 3.12Å; R234-D236 IonicContact CZ-OD1 2.9Å; R234-D236 IonicContact NE-OD1 3.16Å; R234-D236 PolarHBondContact NE-OD1 3.19Å; R234-D236 IonicContact NE-OD2 3.94Å; R234-D236 PolarHBondContact NE-OD2 2.94Å; R234-D236 IonicContact NH2-OD1 3.42Å; R234-D236 PolarHBondContact O-N 3.37Å; R234-D236 VanDerWaalsContact O-N 3.11Å | ||
| 235 | N | 56.1 | Low | 68.2 | Low | 95 Ų | 95 | 88.5 Ų | 88.5 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | trans | -83 | 81.2 | 176 | -117.1 | 51.5 | 0 | 0 | 0 | 110.5 | D237 K307 | N235-D237 VanDerWaalsContact ND2-CG 3.31Å; N235-D237 PolarHBondContact ND2-OD1 2.87Å; N235-D237 PolarHBondContact ND2-OD2 2.76Å; N235-D237 PolarHBondContact O-N 2.93Å; N235-K307 WeakPolarHBondContact ND2-CE 3.21Å; N235-K307 PolarHBondContact ND2-NZ 3Å | ||
| 236 | D | 67.6 | Low | 68.1 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 23% | 0.225 | 42% | 0.418 | C | S | . | . | trans | -87.8 | 46.6 | 175.6 | -63.4 | -41.5 | 0 | 0 | 0 | 111.2 | R234 I238 F239 K240 | R234-D236 VanDerWaalsContact CD-OD2 3.25Å; R234-D236 WeakPolarHBondContact CD-OD2 3.03Å; R234-D236 WeakPolarHBondContact CG-OD1 3.12Å; R234-D236 IonicContact CZ-OD1 2.9Å; R234-D236 IonicContact NE-OD1 3.16Å; R234-D236 PolarHBondContact NE-OD1 3.19Å; R234-D236 IonicContact NE-OD2 3.94Å; R234-D236 PolarHBondContact NE-OD2 2.94Å; R234-D236 IonicContact NH2-OD1 3.42Å; R234-D236 PolarHBondContact O-N 3.37Å; R234-D236 VanDerWaalsContact O-N 3.11Å; D236-I238 PolarHBondContact O-N 2.88Å; D236-F239 HydrophobicContact CB-CB 3.87Å; D236-F239 WeakPolarHBondContact O-CA 3.14Å; D236-F239 WeakPolarHBondContact O-CB 3.34Å; D236-F239 PolarHBondContact O-N 2.96Å; D236-K240 PolarHBondContact O-N 3.49Å | ||
| 237 | D | 67.4 | Low | 68.3 | Low | 30 Ų | 30 | 84.5 Ų | 84.5 | 16% | 0.16 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.3 | -36.3 | -175.4 | -54.3 | -36 | 0 | 0 | 0 | 111.7 | N235 F239 K240 M241 F305 K307 | N235-D237 VanDerWaalsContact ND2-CG 3.31Å; N235-D237 PolarHBondContact ND2-OD1 2.87Å; N235-D237 PolarHBondContact ND2-OD2 2.76Å; N235-D237 PolarHBondContact O-N 2.93Å; D237-F239 VanDerWaalsContact C-N 3.28Å; D237-F239 PolarHBondContact O-N 3.48Å; D237-K240 PolarHBondContact O-N 2.85Å; D237-M241 WeakPolarHBondContact O-CB 3.21Å; D237-M241 PolarHBondContact O-N 3.3Å; D237-F305 CarbonylContact C-O 3.56Å; D237-F305 VanDerWaalsContact C-O 3.26Å; D237-F305 WeakPolarHBondContact CB-O 3.48Å; D237-K307 WeakPolarHBondContact OD2-CD 3.4Å; D237-K307 WeakPolarHBondContact OD2-CE 3.42Å; D237-K307 WeakPolarHBondContact OD2-CG 3.44Å; D237-K307 IonicContact OD2-NZ 3.81Å |
| 238 | I | 65.3 | Low | 68.7 | Low | 86 Ų | 86 | 80.6 Ų | 80.6 | 44% | 0.441 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 173.6 | -61.7 | 173 | 0 | 0 | 0 | 111.2 | D236 M241 I242 | D236-I238 PolarHBondContact O-N 2.88Å; I238-M241 HydrophobicContact CG2-CE 4.33Å; I238-M241 WeakPolarHBondContact O-CB 3.48Å; I238-I242 HydrophobicContact CG2-CD1 3.96Å; I238-I242 WeakPolarHBondContact O-CD1 3.39Å; I238-I242 WeakPolarHBondContact O-CG1 3.38Å; I238-I242 PolarHBondContact O-N 3.43Å |
| 239 | F | 70.3 | Confident | 68.8 | Low | 30 Ų | 30 | 73.9 Ų | 73.9 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.6 | -45.9 | 175.8 | 172.5 | -105.9 | 0 | 0 | 0 | 110.8 | I130 Y215 I218 L222 D236 D237 M241 I242 V243 | I130-F239 HydrophobicContact CD1-CD2 3.9Å; I130-F239 HydrophobicContact CD1-CE2 4.43Å; Y215-F239 AromaticContact CD1-CE2 3.6Å; Y215-F239 HydrophobicContact CD1-CE2 3.6Å; Y215-F239 HydrophobicContact CD1-CZ 4.06Å; Y215-F239 HydrophobicContact CE1-CD2 4.19Å; Y215-F239 AromaticContact CE1-CE2 3.63Å; Y215-F239 HydrophobicContact CE1-CE2 3.63Å; Y215-F239 HydrophobicContact CE1-CZ 4.42Å; I218-F239 HydrophobicContact CB-CE2 4.14Å; I218-F239 HydrophobicContact CB-CZ 4.45Å; I218-F239 HydrophobicContact CD1-CE2 4.02Å; I218-F239 HydrophobicContact CG2-CD2 4.14Å; I218-F239 HydrophobicContact CG2-CE2 3.35Å; I218-F239 HydrophobicContact CG2-CZ 3.62Å; L222-F239 HydrophobicContact CD1-CD1 4.26Å; L222-F239 HydrophobicContact CD1-CE1 3.9Å; L222-F239 HydrophobicContact CD1-CZ 4.12Å; D236-F239 HydrophobicContact CB-CB 3.87Å; D236-F239 WeakPolarHBondContact O-CA 3.14Å; D236-F239 WeakPolarHBondContact O-CB 3.34Å; D236-F239 PolarHBondContact O-N 2.96Å; D237-F239 VanDerWaalsContact C-N 3.28Å; D237-F239 PolarHBondContact O-N 3.48Å; F239-M241 PolarHBondContact O-N 3.37Å; F239-I242 PolarHBondContact O-N 3.29Å; F239-I242 VanDerWaalsContact O-N 3.12Å; F239-V243 HydrophobicContact CD1-CG2 4.24Å; F239-V243 HydrophobicContact CD2-CG2 4.16Å; F239-V243 HydrophobicContact CE1-CG2 3.81Å; F239-V243 HydrophobicContact CE2-CG2 3.71Å; F239-V243 HydrophobicContact CG-CG2 4.4Å; F239-V243 HydrophobicContact CZ-CG2 3.52Å; F239-V243 WeakPolarHBondContact O-CG2 3.14Å; F239-V243 PolarHBondContact O-N 2.87Å |
| 240 | K | 73.5 | Confident | 69.5 | Low | 115 Ų | 115 | 68.6 Ų | 68.6 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.3 | -41 | 174.8 | -65.7 | 177.8 | -177.5 | 173.6 | 0 | 111.4 | D236 D237 A244 F305 | D236-K240 PolarHBondContact O-N 3.49Å; D237-K240 PolarHBondContact O-N 2.85Å; K240-A244 WeakPolarHBondContact O-CB 3.46Å; K240-A244 PolarHBondContact O-N 3.42Å; K240-F305 HydrophobicContact CB-CD1 3.94Å; K240-F305 HydrophobicContact CB-CE1 4.31Å |
| 241 | M | 73.4 | Confident | 70.7 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 4% | 0.044 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54 | -54.4 | 173 | -169.4 | 176.5 | 79.2 | 0 | 0 | 112.1 | L67 D237 I238 F239 A244 I245 F301 Y302 F305 | L67-M241 HydrophobicContact CD1-CE 4.19Å; D237-M241 WeakPolarHBondContact O-CB 3.21Å; D237-M241 PolarHBondContact O-N 3.3Å; I238-M241 HydrophobicContact CG2-CE 4.33Å; I238-M241 WeakPolarHBondContact O-CB 3.48Å; F239-M241 PolarHBondContact O-N 3.37Å; M241-A244 WeakPolarHBondContact O-CB 3.23Å; M241-A244 PolarHBondContact O-N 3.45Å; M241-I245 HydrophobicContact CG-CD1 3.91Å; M241-I245 WeakPolarHBondContact O-CG1 3.33Å; M241-I245 PolarHBondContact O-N 3.21Å; M241-F301 HydrophobicContact CG-CB 4.25Å; M241-F301 WeakPolarHBondContact CG-O 3.35Å; M241-Y302 HydrophobicContact CE-CD1 3.82Å; M241-Y302 HydrophobicContact CE-CE1 4.11Å; M241-Y302 HydrophobicContact CG-CD1 4.48Å; M241-Y302 HydrophobicContact SD-CD1 3.62Å; M241-Y302 HydrophobicContact SD-CE1 4.39Å; M241-F305 HydrophobicContact CB-CB 3.29Å; M241-F305 HydrophobicContact CB-CG 4.08Å; M241-F305 HydrophobicContact CG-CB 3.66Å; M241-F305 HydrophobicContact CG-CG 4.44Å; M241-F305 HydrophobicContact SD-CB 4.33Å |
| 242 | I | 71.3 | Confident | 72.3 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.3 | -36 | -171.5 | -54.4 | 161.2 | 0 | 0 | 0 | 109.9 | L122 R126 Y215 I238 F239 A244 I245 V246 | L122-I242 HydrophobicContact CD1-CD1 4.41Å; L122-I242 HydrophobicContact CD2-CG1 4.34Å; L122-I242 HydrophobicContact CD2-CG2 3.72Å; L122-I242 HydrophobicContact CG-CD1 4.45Å; L122-I242 HydrophobicContact CG-CG2 4Å; R126-I242 VanDerWaalsContact CD-CD1 3.44Å; R126-I242 HydrophobicContact CG-CD1 3.48Å; R126-I242 VanDerWaalsContact CG-CD1 3.48Å; Y215-I242 WeakPolarHBondContact OH-CG2 3.25Å; I238-I242 HydrophobicContact CG2-CD1 3.96Å; I238-I242 WeakPolarHBondContact O-CD1 3.39Å; I238-I242 WeakPolarHBondContact O-CG1 3.38Å; I238-I242 PolarHBondContact O-N 3.43Å; F239-I242 PolarHBondContact O-N 3.29Å; F239-I242 VanDerWaalsContact O-N 3.12Å; I242-A244 VanDerWaalsContact C-N 3.31Å; I242-A244 PolarHBondContact O-N 3.26Å; I242-I245 PolarHBondContact O-N 3.43Å; I242-V246 HydrophobicContact CG2-CG2 4.28Å; I242-V246 VanDerWaalsContact O-CB 3.23Å; I242-V246 WeakPolarHBondContact O-CB 3.36Å; I242-V246 WeakPolarHBondContact O-CG2 3.3Å; I242-V246 PolarHBondContact O-N 2.89Å |
| 243 | V | 76.1 | Confident | 73.8 | Confident | 33 Ų | 33 | 52 Ų | 52 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 169.7 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | Y215 F239 V246 F247 | Y215-V243 HydrophobicContact CD1-CG2 3.55Å; Y215-V243 HydrophobicContact CE1-CG2 3.5Å; Y215-V243 HydrophobicContact CG-CG2 4.47Å; F239-V243 HydrophobicContact CD1-CG2 4.24Å; F239-V243 HydrophobicContact CD2-CG2 4.16Å; F239-V243 HydrophobicContact CE1-CG2 3.81Å; F239-V243 HydrophobicContact CE2-CG2 3.71Å; F239-V243 HydrophobicContact CG-CG2 4.4Å; F239-V243 HydrophobicContact CZ-CG2 3.52Å; F239-V243 WeakPolarHBondContact O-CG2 3.14Å; F239-V243 PolarHBondContact O-N 2.87Å; V243-V246 PolarHBondContact O-N 3.33Å; V243-F247 HydrophobicContact CG1-CD2 3.63Å; V243-F247 HydrophobicContact CG1-CE2 3.79Å; V243-F247 WeakPolarHBondContact O-CD2 3.39Å; V243-F247 PolarHBondContact O-N 3.17Å |
| 244 | A | 79 | Confident | 75.7 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 21% | 0.207 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K240 M241 I242 V246 F247 F248 F301 F305 | K240-A244 WeakPolarHBondContact O-CB 3.46Å; K240-A244 PolarHBondContact O-N 3.42Å; M241-A244 WeakPolarHBondContact O-CB 3.23Å; M241-A244 PolarHBondContact O-N 3.45Å; I242-A244 VanDerWaalsContact C-N 3.31Å; I242-A244 PolarHBondContact O-N 3.26Å; A244-V246 VanDerWaalsContact C-N 3.27Å; A244-V246 PolarHBondContact O-N 3.31Å; A244-F247 PolarHBondContact O-N 2.77Å; A244-F248 VanDerWaalsContact O-CB 3.24Å; A244-F248 WeakPolarHBondContact O-CB 3.02Å; A244-F248 PolarHBondContact O-N 2.84Å; A244-F301 HydrophobicContact CB-CD1 3.82Å; A244-F301 HydrophobicContact CB-CE1 3.74Å; A244-F305 HydrophobicContact CB-CE2 4.28Å; A244-F305 HydrophobicContact CB-CZ 4.32Å |
| 245 | I | 76.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.2 | -45.1 | 175.7 | -68.8 | 166.1 | 0 | 0 | 0 | 110.5 | L119 M241 I242 F248 F249 F301 Y302 | L119-I245 HydrophobicContact CD2-CG2 3.61Å; M241-I245 HydrophobicContact CG-CD1 3.91Å; M241-I245 WeakPolarHBondContact O-CG1 3.33Å; M241-I245 PolarHBondContact O-N 3.21Å; I242-I245 PolarHBondContact O-N 3.43Å; I245-F248 PolarHBondContact O-N 2.81Å; I245-F249 WeakPolarHBondContact O-CB 3.49Å; I245-F249 PolarHBondContact O-N 3.44Å; I245-F301 HydrophobicContact CB-CD2 4.34Å; I245-F301 HydrophobicContact CD1-CB 3.86Å; I245-F301 HydrophobicContact CD1-CG 4.48Å; I245-F301 HydrophobicContact CG1-CB 3.46Å; I245-F301 VanDerWaalsContact CG1-CB 3.46Å; I245-F301 HydrophobicContact CG1-CD1 4.43Å; I245-F301 HydrophobicContact CG1-CD2 3.49Å; I245-F301 VanDerWaalsContact CG1-CD2 3.49Å; I245-F301 HydrophobicContact CG1-CE2 4.35Å; I245-F301 HydrophobicContact CG1-CG 3.55Å; I245-Y302 HydrophobicContact CD1-CD1 4.3Å; I245-Y302 HydrophobicContact CD1-CE1 3.62Å |
| 246 | V | 76.2 | Confident | 79 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -49.7 | -177.6 | 160.1 | 0 | 0 | 0 | 0 | 112.1 | I211 Y215 I242 V243 A244 F248 F249 F250 | I211-V246 HydrophobicContact CG2-CB 4.3Å; I211-V246 HydrophobicContact CG2-CG1 3.24Å; I211-V246 HydrophobicContact CG2-CG2 4.08Å; Y215-V246 HydrophobicContact CD2-CG1 4.13Å; Y215-V246 HydrophobicContact CE2-CB 4.12Å; Y215-V246 HydrophobicContact CE2-CG1 3.92Å; Y215-V246 HydrophobicContact CE2-CG2 3.7Å; I242-V246 HydrophobicContact CG2-CG2 4.28Å; I242-V246 VanDerWaalsContact O-CB 3.23Å; I242-V246 WeakPolarHBondContact O-CB 3.36Å; I242-V246 WeakPolarHBondContact O-CG2 3.3Å; I242-V246 PolarHBondContact O-N 2.89Å; V243-V246 PolarHBondContact O-N 3.33Å; A244-V246 VanDerWaalsContact C-N 3.27Å; A244-V246 PolarHBondContact O-N 3.31Å; V246-F248 VanDerWaalsContact C-N 3.3Å; V246-F248 PolarHBondContact O-N 3.09Å; V246-F249 PolarHBondContact O-N 2.97Å; V246-F250 HydrophobicContact CG1-CD2 3.98Å; V246-F250 HydrophobicContact CG1-CE2 3.68Å; V246-F250 WeakPolarHBondContact O-CD2 3.24Å; V246-F250 PolarHBondContact O-N 2.74Å; V246-F250 VanDerWaalsContact O-N 3.13Å |
| 247 | F | 80.1 | Confident | 80.1 | Confident | 116 Ų | 116 | 37.8 Ų | 37.8 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 177.2 | -92.3 | -73.3 | 0 | 0 | 0 | 110.9 | V243 A244 F249 F250 F251 | V243-F247 HydrophobicContact CG1-CD2 3.63Å; V243-F247 HydrophobicContact CG1-CE2 3.79Å; V243-F247 WeakPolarHBondContact O-CD2 3.39Å; V243-F247 PolarHBondContact O-N 3.17Å; A244-F247 PolarHBondContact O-N 2.77Å; F247-F249 PolarHBondContact O-N 3.2Å; F247-F250 PolarHBondContact O-N 2.88Å; F247-F251 HydrophobicContact CB-CD2 4.38Å; F247-F251 HydrophobicContact CB-CE2 4.36Å; F247-F251 HydrophobicContact CD1-CD2 4.37Å; F247-F251 AromaticContact CD1-CE2 3.65Å; F247-F251 HydrophobicContact CD1-CE2 3.65Å; F247-F251 HydrophobicContact CD1-CZ 4.43Å; F247-F251 HydrophobicContact CE1-CE2 4.47Å; F247-F251 HydrophobicContact CG-CE2 4.46Å; F247-F251 WeakPolarHBondContact O-CD2 3.37Å; F247-F251 PolarHBondContact O-N 2.91Å |
| 248 | F | 82.4 | Confident | 81.3 | Confident | 60 Ų | 60 | 40 Ų | 40 | 26% | 0.263 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 179.1 | -169.8 | -85.7 | 0 | 0 | 0 | 111.5 | A244 I245 V246 F250 F251 S252 F293 N294 L297 F301 | A244-F248 VanDerWaalsContact O-CB 3.24Å; A244-F248 WeakPolarHBondContact O-CB 3.02Å; A244-F248 PolarHBondContact O-N 2.84Å; I245-F248 PolarHBondContact O-N 2.81Å; V246-F248 VanDerWaalsContact C-N 3.3Å; V246-F248 PolarHBondContact O-N 3.09Å; F248-F250 VanDerWaalsContact C-N 3.32Å; F248-F250 PolarHBondContact O-N 3.28Å; F248-F251 PolarHBondContact O-N 3.38Å; F248-S252 WeakPolarHBondContact O-CB 3.32Å; F248-S252 PolarHBondContact O-N 3.31Å; F248-S252 PolarHBondContact O-OG 3.48Å; F248-S252 VanDerWaalsContact O-OG 3.08Å; F248-F293 HydrophobicContact CZ-CD1 4.24Å; F248-N294 HydrophobicContact CD1-CB 4.16Å; F248-N294 WeakPolarHBondContact CD1-OD1 3.06Å; F248-N294 HydrophobicContact CE1-CB 3.91Å; F248-L297 HydrophobicContact CD1-CD1 3.76Å; F248-L297 HydrophobicContact CD2-CD1 4.03Å; F248-L297 HydrophobicContact CE1-CB 4.49Å; F248-L297 HydrophobicContact CE1-CD1 3.17Å; F248-L297 HydrophobicContact CE1-CG 4.39Å; F248-L297 HydrophobicContact CE2-CD1 3.44Å; F248-L297 VanDerWaalsContact CE2-CD1 3.44Å; F248-L297 HydrophobicContact CG-CD1 4.18Å; F248-L297 HydrophobicContact CZ-CD1 2.99Å; F248-L297 HydrophobicContact CZ-CG 4.45Å; F248-F301 HydrophobicContact CB-CE2 3.88Å; F248-F301 HydrophobicContact CB-CZ 3.63Å; F248-F301 HydrophobicContact CD1-CE2 4.29Å; F248-F301 HydrophobicContact CD2-CZ 4.17Å; F248-F301 AromaticContact CG-CE2 3.99Å; F248-F301 HydrophobicContact CG-CE2 3.99Å; F248-F301 AromaticContact CG-CZ 3.81Å; F248-F301 HydrophobicContact CG-CZ 3.81Å |
| 249 | F | 80.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.5 | -50.5 | 173.9 | -177.1 | -80.5 | 0 | 0 | 0 | 111 | V116 L119 I245 V246 F247 F251 S252 W253 N294 | V116-F249 HydrophobicContact CB-CE1 4.18Å; V116-F249 HydrophobicContact CB-CE2 4.47Å; V116-F249 HydrophobicContact CB-CZ 3.68Å; V116-F249 HydrophobicContact CG2-CD1 4.35Å; V116-F249 HydrophobicContact CG2-CE1 3.35Å; V116-F249 HydrophobicContact CG2-CE2 4.4Å; V116-F249 HydrophobicContact CG2-CZ 3.39Å; L119-F249 HydrophobicContact CD1-CB 3.89Å; L119-F249 HydrophobicContact CD1-CD1 4.34Å; L119-F249 HydrophobicContact CD1-CD2 3.24Å; L119-F249 HydrophobicContact CD1-CE2 3.84Å; L119-F249 HydrophobicContact CD1-CG 3.56Å; I245-F249 WeakPolarHBondContact O-CB 3.49Å; I245-F249 PolarHBondContact O-N 3.44Å; V246-F249 PolarHBondContact O-N 2.97Å; F247-F249 PolarHBondContact O-N 3.2Å; F249-F251 PolarHBondContact O-N 3.13Å; F249-S252 WeakPolarHBondContact CA-OG 3.42Å; F249-S252 PolarHBondContact O-N 3.28Å; F249-S252 PolarHBondContact O-OG 2.92Å; F249-W253 AromaticContact CD1-CD1 3.57Å; F249-W253 HydrophobicContact CD1-CG 4.39Å; F249-W253 AromaticContact CD2-CD1 3.59Å; F249-W253 AromaticContact CD2-NE1 3.52Å; F249-W253 HydrophobicContact CE1-CB 4.41Å; F249-W253 AromaticContact CE1-CD1 3.36Å; F249-W253 AromaticContact CE1-CG 3.96Å; F249-W253 HydrophobicContact CE1-CG 3.96Å; F249-W253 AromaticContact CE1-NE1 3.89Å; F249-W253 AromaticContact CE2-CD1 3.43Å; F249-W253 VanDerWaalsContact CE2-CD1 3.43Å; F249-W253 HydrophobicContact CE2-CG 4.49Å; F249-W253 AromaticContact CE2-NE1 3.1Å; F249-W253 AromaticContact CG-CD1 3.64Å; F249-W253 AromaticContact CZ-CD1 3.28Å; F249-W253 HydrophobicContact CZ-CD2 4.39Å; F249-W253 AromaticContact CZ-CE2 3.97Å; F249-W253 HydrophobicContact CZ-CG 4.01Å; F249-W253 AromaticContact CZ-NE1 3.29Å; F249-W253 VanDerWaalsContact CZ-NE1 3.29Å; F249-W253 WeakPolarHBondContact O-CB 3.2Å; F249-W253 PolarHBondContact O-N 3.08Å; F249-N294 WeakPolarHBondContact CD2-ND2 3.47Å |
| 250 | F | 82.1 | Confident | 83.5 | Confident | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | -178.6 | -68.6 | -58.7 | 0 | 0 | 0 | 112.7 | F204 F208 I211 V246 F247 F248 S252 W253 I254 | F204-F250 HydrophobicContact CD2-CD1 4.22Å; F204-F250 AromaticContact CE2-CD1 3.61Å; F204-F250 HydrophobicContact CE2-CD1 3.61Å; F204-F250 HydrophobicContact CE2-CE1 4.34Å; F204-F250 HydrophobicContact CZ-CD1 4.05Å; F208-F250 VanDerWaalsContact CA-CZ 3.41Å; F208-F250 HydrophobicContact CB-CD1 4.06Å; F208-F250 HydrophobicContact CB-CE1 3.45Å; F208-F250 VanDerWaalsContact CB-CE1 3.45Å; F208-F250 HydrophobicContact CB-CZ 3.82Å; F208-F250 HydrophobicContact CD2-CB 4.38Å; F208-F250 AromaticContact CD2-CD1 3.4Å; F208-F250 HydrophobicContact CD2-CD1 3.4Å; F208-F250 VanDerWaalsContact CD2-CD1 3.4Å; F208-F250 AromaticContact CD2-CD2 3.62Å; F208-F250 HydrophobicContact CD2-CD2 3.62Å; F208-F250 AromaticContact CD2-CE1 3.47Å; F208-F250 HydrophobicContact CD2-CE1 3.47Å; F208-F250 VanDerWaalsContact CD2-CE1 3.47Å; F208-F250 AromaticContact CD2-CE2 3.62Å; F208-F250 HydrophobicContact CD2-CE2 3.62Å; F208-F250 AromaticContact CD2-CG 3.52Å; F208-F250 HydrophobicContact CD2-CG 3.52Å; F208-F250 AromaticContact CD2-CZ 3.59Å; F208-F250 HydrophobicContact CD2-CZ 3.59Å; F208-F250 HydrophobicContact CE2-CB 4.43Å; F208-F250 HydrophobicContact CE2-CD1 4.24Å; F208-F250 AromaticContact CE2-CD2 3.98Å; F208-F250 HydrophobicContact CE2-CD2 3.98Å; F208-F250 HydrophobicContact CE2-CE2 4.31Å; F208-F250 AromaticContact CE2-CG 3.94Å; F208-F250 HydrophobicContact CE2-CG 3.94Å; F208-F250 HydrophobicContact CG-CD1 4.13Å; F208-F250 AromaticContact CG-CE1 3.93Å; F208-F250 HydrophobicContact CG-CE1 3.93Å; F208-F250 HydrophobicContact CG-CZ 4.19Å; I211-F250 HydrophobicContact CB-CE2 4.06Å; I211-F250 HydrophobicContact CB-CZ 4.07Å; I211-F250 HydrophobicContact CD1-CE2 4.12Å; I211-F250 HydrophobicContact CD1-CZ 3.6Å; I211-F250 HydrophobicContact CG1-CZ 4.4Å; I211-F250 HydrophobicContact CG2-CE2 3.76Å; I211-F250 HydrophobicContact CG2-CZ 4.25Å; V246-F250 HydrophobicContact CG1-CD2 3.98Å; V246-F250 HydrophobicContact CG1-CE2 3.68Å; V246-F250 WeakPolarHBondContact O-CD2 3.24Å; V246-F250 PolarHBondContact O-N 2.74Å; V246-F250 VanDerWaalsContact O-N 3.13Å; F247-F250 PolarHBondContact O-N 2.88Å; F248-F250 VanDerWaalsContact C-N 3.32Å; F248-F250 PolarHBondContact O-N 3.28Å; F250-S252 VanDerWaalsContact C-N 3.26Å; F250-S252 PolarHBondContact O-N 3Å; F250-W253 PolarHBondContact O-N 2.92Å; F250-I254 HydrophobicContact CB-CD1 4.47Å; F250-I254 WeakPolarHBondContact O-CB 3.43Å; F250-I254 WeakPolarHBondContact O-CD1 3.39Å; F250-I254 WeakPolarHBondContact O-CG1 3.3Å; F250-I254 PolarHBondContact O-N 3.04Å |
| 251 | F | 86.5 | Confident | 84.3 | Confident | 138 Ų | 138 | 35.8 Ų | 35.8 | 61% | 0.605 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -64 | -32.4 | 177.9 | -73.8 | -62.7 | 0 | 0 | 0 | 113 | F247 F248 F249 I254 P255 | F247-F251 HydrophobicContact CB-CD2 4.38Å; F247-F251 HydrophobicContact CB-CE2 4.36Å; F247-F251 HydrophobicContact CD1-CD2 4.37Å; F247-F251 AromaticContact CD1-CE2 3.65Å; F247-F251 HydrophobicContact CD1-CE2 3.65Å; F247-F251 HydrophobicContact CD1-CZ 4.43Å; F247-F251 HydrophobicContact CE1-CE2 4.47Å; F247-F251 HydrophobicContact CG-CE2 4.46Å; F247-F251 WeakPolarHBondContact O-CD2 3.37Å; F247-F251 PolarHBondContact O-N 2.91Å; F248-F251 PolarHBondContact O-N 3.38Å; F249-F251 PolarHBondContact O-N 3.13Å; F251-I254 HydrophobicContact CD1-CD1 4.5Å; F251-P255 WeakPolarHBondContact O-CD 3.41Å |
| 252 | S | 88.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.9 | -34.7 | 175.9 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | F248 F249 F250 I290 A291 N294 | F248-S252 WeakPolarHBondContact O-CB 3.32Å; F248-S252 PolarHBondContact O-N 3.31Å; F248-S252 PolarHBondContact O-OG 3.48Å; F248-S252 VanDerWaalsContact O-OG 3.08Å; F249-S252 WeakPolarHBondContact CA-OG 3.42Å; F249-S252 PolarHBondContact O-N 3.28Å; F249-S252 PolarHBondContact O-OG 2.92Å; F250-S252 VanDerWaalsContact C-N 3.26Å; F250-S252 PolarHBondContact O-N 3Å; S252-I290 WeakPolarHBondContact CB-O 3.45Å; S252-A291 VanDerWaalsContact O-CA 3.32Å; S252-A291 WeakPolarHBondContact O-CA 3.15Å; S252-A291 PolarHBondContact O-N 3.5Å; S252-N294 WeakPolarHBondContact OG-CB 3.36Å |
| 253 | W | 88.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -90.1 | -27.7 | -175.8 | -76 | 102.2 | 0 | 0 | 0 | 114 | L112 F204 F249 F250 H256 Q257 A291 | L112-W253 HydrophobicContact CB-CH2 3.97Å; L112-W253 HydrophobicContact CD1-CD2 4.01Å; L112-W253 HydrophobicContact CD1-CE3 3.69Å; L112-W253 HydrophobicContact CD1-CH2 3.49Å; L112-W253 VanDerWaalsContact CD1-CH2 3.49Å; L112-W253 HydrophobicContact CD1-CZ2 3.81Å; L112-W253 HydrophobicContact CD1-CZ3 3.45Å; L112-W253 VanDerWaalsContact CD1-CZ3 3.45Å; L112-W253 HydrophobicContact CG-CH2 4.24Å; L112-W253 HydrophobicContact CG-CZ3 4.36Å; F204-W253 HydrophobicContact CD2-CB 4.13Å; F204-W253 HydrophobicContact CE2-CB 4.16Å; F249-W253 AromaticContact CD1-CD1 3.57Å; F249-W253 HydrophobicContact CD1-CG 4.39Å; F249-W253 AromaticContact CD2-CD1 3.59Å; F249-W253 AromaticContact CD2-NE1 3.52Å; F249-W253 HydrophobicContact CE1-CB 4.41Å; F249-W253 AromaticContact CE1-CD1 3.36Å; F249-W253 AromaticContact CE1-CG 3.96Å; F249-W253 HydrophobicContact CE1-CG 3.96Å; F249-W253 AromaticContact CE1-NE1 3.89Å; F249-W253 AromaticContact CE2-CD1 3.43Å; F249-W253 VanDerWaalsContact CE2-CD1 3.43Å; F249-W253 HydrophobicContact CE2-CG 4.49Å; F249-W253 AromaticContact CE2-NE1 3.1Å; F249-W253 AromaticContact CG-CD1 3.64Å; F249-W253 AromaticContact CZ-CD1 3.28Å; F249-W253 HydrophobicContact CZ-CD2 4.39Å; F249-W253 AromaticContact CZ-CE2 3.97Å; F249-W253 HydrophobicContact CZ-CG 4.01Å; F249-W253 AromaticContact CZ-NE1 3.29Å; F249-W253 VanDerWaalsContact CZ-NE1 3.29Å; F249-W253 WeakPolarHBondContact O-CB 3.2Å; F249-W253 PolarHBondContact O-N 3.08Å; F250-W253 PolarHBondContact O-N 2.92Å; W253-H256 AromaticContact CE3-CD2 3.96Å; W253-H256 AromaticContact CZ3-CD2 3.79Å; W253-H256 PolarHBondContact O-N 2.8Å; W253-H256 VanDerWaalsContact O-N 3.11Å; W253-Q257 WeakPolarHBondContact O-CG 3.31Å; W253-Q257 PolarHBondContact O-N 2.84Å; W253-A291 HydrophobicContact CD2-CB 3.87Å; W253-A291 HydrophobicContact CE3-CB 3.67Å; W253-A291 HydrophobicContact CH2-CB 4.24Å; W253-A291 HydrophobicContact CZ2-CB 4.42Å; W253-A291 HydrophobicContact CZ3-CB 3.84Å |
| 254 | I | 90.1 | Very high | 86.4 | Confident | 64 Ų | 64 | 38.3 Ų | 38.3 | 33% | 0.328 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -50.2 | -50.9 | 179.9 | -78.8 | 161.5 | 0 | 0 | 0 | 112.3 | F204 F250 F251 H256 Q257 V258 | F204-I254 HydrophobicContact CE1-CG1 4.34Å; F204-I254 HydrophobicContact CE2-CG1 3.85Å; F204-I254 HydrophobicContact CZ-CB 4.49Å; F204-I254 HydrophobicContact CZ-CD1 4.26Å; F204-I254 HydrophobicContact CZ-CG1 3.36Å; F250-I254 HydrophobicContact CB-CD1 4.47Å; F250-I254 WeakPolarHBondContact O-CB 3.43Å; F250-I254 WeakPolarHBondContact O-CD1 3.39Å; F250-I254 WeakPolarHBondContact O-CG1 3.3Å; F250-I254 PolarHBondContact O-N 3.04Å; F251-I254 HydrophobicContact CD1-CD1 4.5Å; I254-H256 VanDerWaalsContact C-N 3.3Å; I254-H256 PolarHBondContact O-N 2.67Å; I254-Q257 PolarHBondContact O-N 3.44Å; I254-V258 HydrophobicContact CG2-CG2 4.3Å; I254-V258 WeakPolarHBondContact O-CG2 3.19Å; I254-V258 PolarHBondContact O-N 3.03Å |
| 255 | P | 93 | Very high | 86.8 | Confident | 37 Ų | 37 | 39 Ų | 39 | 24% | 0.24 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.1 | -47.8 | -179.9 | -25 | 34.5 | 0 | 0 | 0 | 111.4 | F251 Q257 V258 F259 T287 | F251-P255 WeakPolarHBondContact O-CD 3.41Å; P255-Q257 VanDerWaalsContact C-N 3.34Å; P255-Q257 PolarHBondContact O-N 2.02Å; P255-V258 PolarHBondContact O-N 2.67Å; P255-F259 VanDerWaalsContact O-CD2 3.3Å; P255-F259 WeakPolarHBondContact O-CD2 2.92Å; P255-F259 PolarHBondContact O-N 3.48Å; P255-F259 VanDerWaalsContact O-N 3.09Å; P255-T287 HydrophobicContact CB-CG2 3.88Å |
| 256 | H | 91.1 | Very high | 87.2 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | -178.9 | -175.3 | 61.2 | 0 | 0 | 0 | 112.8 | W253 I254 T260 M284 T287 I288 A291 | W253-H256 AromaticContact CE3-CD2 3.96Å; W253-H256 AromaticContact CZ3-CD2 3.79Å; W253-H256 PolarHBondContact O-N 2.8Å; W253-H256 VanDerWaalsContact O-N 3.11Å; I254-H256 VanDerWaalsContact C-N 3.3Å; I254-H256 PolarHBondContact O-N 2.67Å; H256-T260 VanDerWaalsContact O-CB 3.31Å; H256-T260 WeakPolarHBondContact O-CB 3.28Å; H256-T260 PolarHBondContact O-N 2.88Å; H256-T260 PolarHBondContact O-OG1 3.48Å; H256-M284 WeakPolarHBondContact CE1-CE 3.36Å; H256-T287 PolarHBondContact ND1-OG1 3.41Å; H256-I288 WeakPolarHBondContact CE1-CG1 3.49Å; H256-I288 WeakPolarHBondContact ND1-CG1 3.35Å; H256-A291 HydrophobicContact CB-CB 4.17Å |
| 257 | Q | 90.5 | Very high | 87.3 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.2 | -38.8 | 178.3 | -61.6 | -61.7 | -13.1 | 0 | 0 | 112 | N200 F204 W253 I254 P255 T260 F261 | N200-Q257 PolarHBondContact OD1-O 3.05Å; F204-Q257 HydrophobicContact CB-CG 3.79Å; F204-Q257 HydrophobicContact CD1-CG 4.28Å; F204-Q257 HydrophobicContact CD2-CG 3.73Å; F204-Q257 HydrophobicContact CE2-CG 4.39Å; F204-Q257 HydrophobicContact CG-CB 4.41Å; F204-Q257 HydrophobicContact CG-CG 3.67Å; W253-Q257 WeakPolarHBondContact O-CG 3.31Å; W253-Q257 PolarHBondContact O-N 2.84Å; I254-Q257 PolarHBondContact O-N 3.44Å; P255-Q257 VanDerWaalsContact C-N 3.34Å; P255-Q257 PolarHBondContact O-N 2.02Å; Q257-T260 PolarHBondContact O-N 3.28Å; Q257-F261 WeakPolarHBondContact O-CB 3.33Å; Q257-F261 PolarHBondContact O-N 3.46Å |
| 258 | V | 92.9 | Very high | 87.4 | Confident | 76 Ų | 76 | 39 Ų | 39 | 46% | 0.461 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -49 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | I254 P255 F261 L262 | I254-V258 HydrophobicContact CG2-CG2 4.3Å; I254-V258 WeakPolarHBondContact O-CG2 3.19Å; I254-V258 PolarHBondContact O-N 3.03Å; P255-V258 PolarHBondContact O-N 2.67Å; V258-F261 PolarHBondContact O-N 2.97Å; V258-L262 HydrophobicContact CG1-CD1 4.35Å; V258-L262 WeakPolarHBondContact O-CG 3.09Å; V258-L262 PolarHBondContact O-N 2.85Å |
| 259 | F | 92.4 | Very high | 87.3 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.4 | -34.4 | 178.5 | -80.2 | -81.4 | 0 | 0 | 0 | 112.9 | P255 F261 L262 D263 I279 V280 A283 M284 T287 | P255-F259 VanDerWaalsContact O-CD2 3.3Å; P255-F259 WeakPolarHBondContact O-CD2 2.92Å; P255-F259 PolarHBondContact O-N 3.48Å; P255-F259 VanDerWaalsContact O-N 3.09Å; F259-F261 VanDerWaalsContact C-N 3.32Å; F259-F261 PolarHBondContact O-N 3.23Å; F259-L262 HydrophobicContact CD1-CD1 4.16Å; F259-L262 HydrophobicContact CE1-CD1 4.35Å; F259-L262 PolarHBondContact O-N 3.18Å; F259-D263 PolarHBondContact O-N 2.98Å; F259-I279 HydrophobicContact CE1-CG2 4.43Å; F259-V280 HydrophobicContact CD1-CB 4.33Å; F259-V280 HydrophobicContact CD1-CG1 4.34Å; F259-V280 HydrophobicContact CD1-CG2 4.12Å; F259-V280 HydrophobicContact CE1-CG2 4.47Å; F259-A283 HydrophobicContact CD1-CB 3.82Å; F259-A283 HydrophobicContact CD2-CB 4.32Å; F259-A283 HydrophobicContact CE1-CB 3.3Å; F259-A283 HydrophobicContact CE2-CB 3.87Å; F259-A283 HydrophobicContact CG-CB 4.3Å; F259-A283 HydrophobicContact CZ-CB 3.33Å; F259-M284 HydrophobicContact CB-SD 4.26Å; F259-T287 HydrophobicContact CD2-CG2 3.35Å; F259-T287 HydrophobicContact CE2-CG2 3.77Å; F259-T287 HydrophobicContact CG-CG2 4.11Å |
| 260 | T | 89.8 | Confident | 87.6 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 171.6 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | H256 Q257 D263 V264 | H256-T260 VanDerWaalsContact O-CB 3.31Å; H256-T260 WeakPolarHBondContact O-CB 3.28Å; H256-T260 PolarHBondContact O-N 2.88Å; H256-T260 PolarHBondContact O-OG1 3.48Å; Q257-T260 PolarHBondContact O-N 3.28Å; T260-D263 PolarHBondContact O-N 3.36Å; T260-V264 WeakPolarHBondContact O-CG2 3.5Å; T260-V264 PolarHBondContact O-N 3.27Å; T260-V264 VanDerWaalsContact O-N 3.08Å |
| 261 | F | 90.4 | Very high | 87.7 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 40% | 0.395 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.2 | -177.6 | -103.2 | 0 | 0 | 0 | 112 | L197 Q257 V258 F259 V264 L265 | L197-F261 HydrophobicContact CD2-CD2 4.44Å; L197-F261 HydrophobicContact CD2-CE2 4.28Å; Q257-F261 WeakPolarHBondContact O-CB 3.33Å; Q257-F261 PolarHBondContact O-N 3.46Å; V258-F261 PolarHBondContact O-N 2.97Å; F259-F261 VanDerWaalsContact C-N 3.32Å; F259-F261 PolarHBondContact O-N 3.23Å; F261-V264 WeakPolarHBondContact O-CB 3.48Å; F261-V264 PolarHBondContact O-N 2.88Å; F261-L265 HydrophobicContact CD1-CD1 4.26Å; F261-L265 HydrophobicContact CD1-CG 4.47Å; F261-L265 HydrophobicContact CE1-CD1 3.83Å; F261-L265 HydrophobicContact CE1-CD2 4.36Å; F261-L265 HydrophobicContact CE1-CG 4.13Å; F261-L265 HydrophobicContact CZ-CD1 4.49Å; F261-L265 HydrophobicContact CZ-CD2 4.21Å; F261-L265 HydrophobicContact CZ-CG 4.43Å; F261-L265 PolarHBondContact O-N 3.39Å; F261-L265 VanDerWaalsContact O-N 3.07Å |
| 262 | L | 90.9 | Very high | 87.5 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 172.7 | -71.3 | 170.9 | 0 | 0 | 0 | 111.8 | V258 F259 V264 L265 I266 I271 V280 | V258-L262 HydrophobicContact CG1-CD1 4.35Å; V258-L262 WeakPolarHBondContact O-CG 3.09Å; V258-L262 PolarHBondContact O-N 2.85Å; F259-L262 HydrophobicContact CD1-CD1 4.16Å; F259-L262 HydrophobicContact CE1-CD1 4.35Å; F259-L262 PolarHBondContact O-N 3.18Å; L262-V264 VanDerWaalsContact C-N 3.3Å; L262-V264 PolarHBondContact O-N 3.47Å; L262-L265 HydrophobicContact CD2-CD1 4.42Å; L262-L265 WeakPolarHBondContact O-CB 3.26Å; L262-L265 PolarHBondContact O-N 3.24Å; L262-I266 WeakPolarHBondContact O-CG1 3.46Å; L262-I266 PolarHBondContact O-N 2.91Å; L262-I271 HydrophobicContact CD2-CD1 4.39Å; L262-V280 HydrophobicContact CB-CG2 3.91Å; L262-V280 HydrophobicContact CD1-CG2 4.26Å |
| 263 | D | 86.8 | Confident | 87.4 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 172.5 | 174.1 | 50.8 | 0 | 0 | 0 | 111.3 | F259 T260 L265 I266 Q267 V280 | F259-D263 PolarHBondContact O-N 2.98Å; T260-D263 PolarHBondContact O-N 3.36Å; D263-L265 VanDerWaalsContact C-N 3.32Å; D263-L265 PolarHBondContact O-N 3.45Å; D263-I266 PolarHBondContact O-N 2.96Å; D263-Q267 WeakPolarHBondContact O-CB 3.46Å; D263-Q267 WeakPolarHBondContact O-CG 3.39Å; D263-Q267 PolarHBondContact O-N 3.39Å; D263-Q267 PolarHBondContact OD1-NE2 3.2Å; D263-Q267 PolarHBondContact OD2-NE2 2.83Å; D263-V280 HydrophobicContact CB-CG1 4.32Å |
| 264 | V | 86.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 173.2 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | V193 L197 T260 F261 L262 Q267 L268 | V193-V264 HydrophobicContact CG1-CG1 3.99Å; L197-V264 HydrophobicContact CD2-CG1 4.28Å; L197-V264 HydrophobicContact CG-CG1 4.25Å; T260-V264 WeakPolarHBondContact O-CG2 3.5Å; T260-V264 PolarHBondContact O-N 3.27Å; T260-V264 VanDerWaalsContact O-N 3.08Å; F261-V264 WeakPolarHBondContact O-CB 3.48Å; F261-V264 PolarHBondContact O-N 2.88Å; L262-V264 VanDerWaalsContact C-N 3.3Å; L262-V264 PolarHBondContact O-N 3.47Å; V264-Q267 PolarHBondContact O-N 3.38Å; V264-L268 HydrophobicContact CG1-CD1 4.08Å; V264-L268 WeakPolarHBondContact O-CB 3.02Å; V264-L268 WeakPolarHBondContact O-CG 3.47Å; V264-L268 PolarHBondContact O-N 2.58Å |
| 265 | L | 87.8 | Confident | 87 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 177.4 | -65.4 | -179.3 | 0 | 0 | 0 | 112.5 | F261 L262 D263 Q267 L268 H269 V270 I271 | F261-L265 HydrophobicContact CD1-CD1 4.26Å; F261-L265 HydrophobicContact CD1-CG 4.47Å; F261-L265 HydrophobicContact CE1-CD1 3.83Å; F261-L265 HydrophobicContact CE1-CD2 4.36Å; F261-L265 HydrophobicContact CE1-CG 4.13Å; F261-L265 HydrophobicContact CZ-CD1 4.49Å; F261-L265 HydrophobicContact CZ-CD2 4.21Å; F261-L265 HydrophobicContact CZ-CG 4.43Å; F261-L265 PolarHBondContact O-N 3.39Å; F261-L265 VanDerWaalsContact O-N 3.07Å; L262-L265 HydrophobicContact CD2-CD1 4.42Å; L262-L265 WeakPolarHBondContact O-CB 3.26Å; L262-L265 PolarHBondContact O-N 3.24Å; D263-L265 VanDerWaalsContact C-N 3.32Å; D263-L265 PolarHBondContact O-N 3.45Å; L265-Q267 VanDerWaalsContact C-N 3.31Å; L265-L268 PolarHBondContact O-N 2.94Å; L265-H269 PolarHBondContact O-N 3.32Å; L265-V270 HydrophobicContact CB-CB 4.46Å; L265-V270 PolarHBondContact O-N 3.48Å; L265-I271 HydrophobicContact CB-CD1 3.85Å; L265-I271 HydrophobicContact CB-CG1 4.21Å; L265-I271 HydrophobicContact CD1-CD1 4.19Å; L265-I271 PolarHBondContact O-N 3.19Å |
| 266 | I | 84.5 | Confident | 86.8 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 172.2 | -66.8 | 166.1 | 0 | 0 | 0 | 109.4 | L262 D263 L268 H269 I271 V280 | L262-I266 WeakPolarHBondContact O-CG1 3.46Å; L262-I266 PolarHBondContact O-N 2.91Å; D263-I266 PolarHBondContact O-N 2.96Å; I266-L268 VanDerWaalsContact C-N 3.29Å; I266-L268 PolarHBondContact O-N 3.38Å; I266-H269 WeakPolarHBondContact O-CA 3.48Å; I266-H269 PolarHBondContact O-N 3.16Å; I266-I271 HydrophobicContact CG1-CB 3.94Å; I266-I271 HydrophobicContact CG1-CG2 4.04Å; I266-V280 HydrophobicContact CD1-CB 4.18Å; I266-V280 HydrophobicContact CD1-CG1 4.37Å; I266-V280 HydrophobicContact CD1-CG2 3.96Å |
| 267 | Q | 79.3 | Confident | 86.6 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.065 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -30.7 | 179 | -70.3 | 171.8 | 9.1 | 0 | 0 | 113.6 | R192 D263 V264 L265 H269 | R192-Q267 VanDerWaalsContact CD-CD 3.49Å; R192-Q267 HydrophobicContact CG-CB 4.26Å; R192-Q267 HydrophobicContact CG-CG 4.19Å; D263-Q267 WeakPolarHBondContact O-CB 3.46Å; D263-Q267 WeakPolarHBondContact O-CG 3.39Å; D263-Q267 PolarHBondContact O-N 3.39Å; D263-Q267 PolarHBondContact OD1-NE2 3.2Å; D263-Q267 PolarHBondContact OD2-NE2 2.83Å; V264-Q267 PolarHBondContact O-N 3.38Å; L265-Q267 VanDerWaalsContact C-N 3.31Å; Q267-H269 PolarHBondContact O-N 2.95Å; Q267-H269 PolarHBondContact O-ND1 2.91Å |
| 268 | L | 82.1 | Confident | 86.4 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 0.4 | 171.9 | -78.6 | 169.8 | 0 | 0 | 0 | 113.5 | V193 V264 L265 I266 V270 | V193-L268 HydrophobicContact CB-CD2 4.37Å; V193-L268 HydrophobicContact CG1-CD1 4.12Å; V193-L268 HydrophobicContact CG1-CD2 4.08Å; V193-L268 HydrophobicContact CG1-CG 4.19Å; V193-L268 HydrophobicContact CG2-CD1 4.43Å; V193-L268 HydrophobicContact CG2-CD2 3.52Å; V193-L268 HydrophobicContact CG2-CG 3.63Å; V264-L268 HydrophobicContact CG1-CD1 4.08Å; V264-L268 WeakPolarHBondContact O-CB 3.02Å; V264-L268 WeakPolarHBondContact O-CG 3.47Å; V264-L268 PolarHBondContact O-N 2.58Å; L265-L268 PolarHBondContact O-N 2.94Å; I266-L268 VanDerWaalsContact C-N 3.29Å; I266-L268 PolarHBondContact O-N 3.38Å; L268-V270 HydrophobicContact CB-CG2 3.89Å; L268-V270 PolarHBondContact O-N 3.21Å |
| 269 | H | 80.4 | Confident | 86.3 | Confident | 136 Ų | 136 | 62.7 Ų | 62.7 | 63% | 0.63 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 22.4 | -173.9 | -58.2 | 68 | 0 | 0 | 0 | 113.3 | L265 I266 Q267 I271 T272 | L265-H269 PolarHBondContact O-N 3.32Å; I266-H269 WeakPolarHBondContact O-CA 3.48Å; I266-H269 PolarHBondContact O-N 3.16Å; Q267-H269 PolarHBondContact O-N 2.95Å; Q267-H269 PolarHBondContact O-ND1 2.91Å; H269-I271 VanDerWaalsContact C-N 3.3Å; H269-T272 HydrophobicContact CB-CG2 4.48Å |
| 270 | V | 85.7 | Confident | 86.3 | Confident | 103 Ų | 103 | 60.8 Ų | 60.8 | 62% | 0.624 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -73.2 | -31.7 | 169.9 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | L265 L268 | L265-V270 HydrophobicContact CB-CB 4.46Å; L265-V270 PolarHBondContact O-N 3.48Å; L268-V270 HydrophobicContact CB-CG2 3.89Å; L268-V270 PolarHBondContact O-N 3.21Å |
| 271 | I | 84.3 | Confident | 86.2 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | trans | -120.4 | 123 | 175.2 | -57.3 | 174.5 | 0 | 0 | 0 | 107.9 | L262 L265 I266 H269 I276 | L262-I271 HydrophobicContact CD2-CD1 4.39Å; L265-I271 HydrophobicContact CB-CD1 3.85Å; L265-I271 HydrophobicContact CB-CG1 4.21Å; L265-I271 HydrophobicContact CD1-CD1 4.19Å; L265-I271 PolarHBondContact O-N 3.19Å; I266-I271 HydrophobicContact CG1-CB 3.94Å; I266-I271 HydrophobicContact CG1-CG2 4.04Å; H269-I271 VanDerWaalsContact C-N 3.3Å; I271-I276 HydrophobicContact CG2-CB 3.94Å; I271-I276 HydrophobicContact CG2-CG1 4.36Å; I271-I276 HydrophobicContact CG2-CG2 3.85Å | ||
| 272 | T | 81.6 | Confident | 86.2 | Confident | 114 Ų | 114 | 60.1 Ų | 60.1 | 70% | 0.699 | 32% | 0.319 | S | S | * | . | trans | -121.2 | -0.9 | -179 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | H269 C274 | H269-T272 HydrophobicContact CB-CG2 4.48Å; T272-C274 PolarHBondContact O-N 2.85Å | ||
| 273 | D | 86.8 | Confident | 86.3 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | trans | -77.2 | 114.3 | -179.4 | -173.4 | -9 | 0 | 0 | 0 | 111 | K275 I276 T277 | D273-K275 PolarHBondContact O-N 2.75Å; D273-K275 VanDerWaalsContact O-N 3.1Å; D273-K275 WeakPolarHBondContact OD1-CB 3.25Å; D273-K275 PolarHBondContact OD1-N 3.08Å; D273-I276 HydrophobicContact CB-CG1 4.1Å; D273-I276 PolarHBondContact O-N 3.47Å; D273-T277 PolarHBondContact O-N 2.89Å; D273-T277 VanDerWaalsContact O-N 3.17Å; D273-T277 PolarHBondContact O-OG1 3.17Å | ||
| 274 | C | 83.7 | Confident | 86.5 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.4 | -22 | 176.6 | -80.7 | 0 | 0 | 0 | 0 | 112.6 | C18 T272 I276 T277 D278 | C18-C274 HydrophobicContact CB-CB 4.17Å; C18-C274 WeakPolarHBondContact CB-SG 3.22Å; C18-C274 WeakPolarHBondContact SG-CB 3.09Å; C18-C274 CovalentContact SG-SG 2.09Å; C18-C274 PolarHBondContact SG-SG 3.34Å; T272-C274 PolarHBondContact O-N 2.85Å; C274-I276 VanDerWaalsContact C-N 3.34Å; C274-T277 PolarHBondContact O-N 3.34Å; C274-D278 WeakPolarHBondContact O-CB 3.22Å; C274-D278 PolarHBondContact O-N 3.16Å |
| 275 | K | 87.6 | Confident | 86.7 | Confident | 159 Ų | 159 | 59 Ų | 59 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66 | -38.2 | 173.4 | -68 | 179.7 | 179.2 | 175.9 | 0 | 112 | D273 I279 | D273-K275 PolarHBondContact O-N 2.75Å; D273-K275 VanDerWaalsContact O-N 3.1Å; D273-K275 WeakPolarHBondContact OD1-CB 3.25Å; D273-K275 PolarHBondContact OD1-N 3.08Å; K275-I279 WeakPolarHBondContact O-CG1 3.28Å; K275-I279 PolarHBondContact O-N 3.42Å |
| 276 | I | 87.4 | Confident | 86.9 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 32% | 0.323 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.5 | -40.8 | 176.7 | -57.7 | -61 | 0 | 0 | 0 | 109.7 | I271 D273 C274 D278 I279 V280 | I271-I276 HydrophobicContact CG2-CB 3.94Å; I271-I276 HydrophobicContact CG2-CG1 4.36Å; I271-I276 HydrophobicContact CG2-CG2 3.85Å; D273-I276 HydrophobicContact CB-CG1 4.1Å; D273-I276 PolarHBondContact O-N 3.47Å; C274-I276 VanDerWaalsContact C-N 3.34Å; I276-D278 VanDerWaalsContact C-N 3.31Å; I276-D278 PolarHBondContact O-N 3.19Å; I276-I279 PolarHBondContact O-N 2.87Å; I276-V280 HydrophobicContact CG2-CG2 4.46Å; I276-V280 WeakPolarHBondContact O-CG2 3.15Å; I276-V280 PolarHBondContact O-N 2.92Å |
| 277 | T | 86.8 | Confident | 87.4 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 173.4 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | S21 D273 C274 I279 V280 D281 | S21-T277 PolarHBondContact OG-O 2.89Å; D273-T277 PolarHBondContact O-N 2.89Å; D273-T277 VanDerWaalsContact O-N 3.17Å; D273-T277 PolarHBondContact O-OG1 3.17Å; C274-T277 PolarHBondContact O-N 3.34Å; T277-I279 PolarHBondContact O-N 3.28Å; T277-V280 PolarHBondContact O-N 3.27Å; T277-V280 VanDerWaalsContact O-N 3.16Å; T277-D281 WeakPolarHBondContact O-CB 3.27Å; T277-D281 PolarHBondContact O-N 3.42Å |
| 278 | D | 87.3 | Confident | 87.9 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 176 | -177.3 | 57.9 | 0 | 0 | 0 | 112.9 | S21 G22 H24 C274 I276 V280 T282 | S21-D278 WeakPolarHBondContact CA-OD1 3.42Å; S21-D278 WeakPolarHBondContact OG-CA 3.4Å; S21-D278 PolarHBondContact OG-N 3.43Å; G22-D278 PolarHBondContact N-OD1 3.27Å; H24-D278 IonicContact NE2-OD1 2.74Å; C274-D278 WeakPolarHBondContact O-CB 3.22Å; C274-D278 PolarHBondContact O-N 3.16Å; I276-D278 VanDerWaalsContact C-N 3.31Å; I276-D278 PolarHBondContact O-N 3.19Å; D278-V280 VanDerWaalsContact C-N 3.32Å; D278-V280 PolarHBondContact O-N 3.4Å; D278-T282 WeakPolarHBondContact O-CB 3.45Å; D278-T282 PolarHBondContact O-N 2.86Å; D278-T282 PolarHBondContact O-OG1 3.4Å |
| 279 | I | 91 | Very high | 88.4 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 174.4 | -67.9 | 165.9 | 0 | 0 | 0 | 110.8 | F259 K275 I276 T277 A283 | F259-I279 HydrophobicContact CE1-CG2 4.43Å; K275-I279 WeakPolarHBondContact O-CG1 3.28Å; K275-I279 PolarHBondContact O-N 3.42Å; I276-I279 PolarHBondContact O-N 2.87Å; T277-I279 PolarHBondContact O-N 3.28Å; I279-A283 WeakPolarHBondContact O-CB 3.42Å; I279-A283 PolarHBondContact O-N 3.21Å |
| 280 | V | 91.2 | Very high | 89 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -51.2 | 179.6 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | F259 L262 D263 I266 I276 T277 D278 T282 A283 M284 | F259-V280 HydrophobicContact CD1-CB 4.33Å; F259-V280 HydrophobicContact CD1-CG1 4.34Å; F259-V280 HydrophobicContact CD1-CG2 4.12Å; F259-V280 HydrophobicContact CE1-CG2 4.47Å; L262-V280 HydrophobicContact CB-CG2 3.91Å; L262-V280 HydrophobicContact CD1-CG2 4.26Å; D263-V280 HydrophobicContact CB-CG1 4.32Å; I266-V280 HydrophobicContact CD1-CB 4.18Å; I266-V280 HydrophobicContact CD1-CG1 4.37Å; I266-V280 HydrophobicContact CD1-CG2 3.96Å; I276-V280 HydrophobicContact CG2-CG2 4.46Å; I276-V280 WeakPolarHBondContact O-CG2 3.15Å; I276-V280 PolarHBondContact O-N 2.92Å; T277-V280 PolarHBondContact O-N 3.27Å; T277-V280 VanDerWaalsContact O-N 3.16Å; D278-V280 VanDerWaalsContact C-N 3.32Å; D278-V280 PolarHBondContact O-N 3.4Å; V280-T282 VanDerWaalsContact C-N 3.32Å; V280-T282 PolarHBondContact O-N 2.87Å; V280-A283 PolarHBondContact O-N 2.87Å; V280-M284 VanDerWaalsContact O-CB 3.24Å; V280-M284 WeakPolarHBondContact O-CB 3.4Å; V280-M284 PolarHBondContact O-N 2.84Å |
| 281 | D | 87.7 | Confident | 89.2 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 34% | 0.337 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | -179.5 | -72.1 | -25.4 | 0 | 0 | 0 | 112.1 | S21 T277 P285 | S21-D281 WeakPolarHBondContact CB-OD2 3.25Å; S21-D281 WeakPolarHBondContact OG-CB 3.27Å; S21-D281 PolarHBondContact OG-OD2 2.98Å; T277-D281 WeakPolarHBondContact O-CB 3.27Å; T277-D281 PolarHBondContact O-N 3.42Å; D281-P285 WeakPolarHBondContact O-CD 3.39Å |
| 282 | T | 90.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68 | -44.5 | 174.5 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | H24 Y26 I27 D278 V280 F286 | H24-T282 PolarHBondContact CD2-OG1 3.42Å; H24-T282 PolarHBondContact NE2-OG1 3.25Å; Y26-T282 VanDerWaalsContact OH-CG2 3.23Å; Y26-T282 WeakPolarHBondContact OH-CG2 3.48Å; I27-T282 HydrophobicContact CD1-CG2 4.21Å; D278-T282 WeakPolarHBondContact O-CB 3.45Å; D278-T282 PolarHBondContact O-N 2.86Å; D278-T282 PolarHBondContact O-OG1 3.4Å; V280-T282 VanDerWaalsContact C-N 3.32Å; V280-T282 PolarHBondContact O-N 2.87Å; T282-F286 WeakPolarHBondContact O-CD2 3.16Å |
| 283 | A | 93.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 46 Ų | 46 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77.1 | -26.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F259 I279 V280 F286 T287 | F259-A283 HydrophobicContact CD1-CB 3.82Å; F259-A283 HydrophobicContact CD2-CB 4.32Å; F259-A283 HydrophobicContact CE1-CB 3.3Å; F259-A283 HydrophobicContact CE2-CB 3.87Å; F259-A283 HydrophobicContact CG-CB 4.3Å; F259-A283 HydrophobicContact CZ-CB 3.33Å; I279-A283 WeakPolarHBondContact O-CB 3.42Å; I279-A283 PolarHBondContact O-N 3.21Å; V280-A283 PolarHBondContact O-N 2.87Å; A283-F286 PolarHBondContact O-N 3.01Å; A283-F286 VanDerWaalsContact O-N 3.11Å; A283-T287 WeakPolarHBondContact O-CG2 3.28Å; A283-T287 PolarHBondContact O-N 3.27Å |
| 284 | M | 90.9 | Very high | 89.5 | Confident | 42 Ų | 42 | 42.2 Ų | 42.2 | 21% | 0.207 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.6 | -50.3 | -174.4 | -172.9 | 63.9 | 152.7 | 0 | 0 | 112.6 | H256 F259 V280 F286 T287 I288 | H256-M284 WeakPolarHBondContact CE1-CE 3.36Å; F259-M284 HydrophobicContact CB-SD 4.26Å; V280-M284 VanDerWaalsContact O-CB 3.24Å; V280-M284 WeakPolarHBondContact O-CB 3.4Å; V280-M284 PolarHBondContact O-N 2.84Å; M284-F286 VanDerWaalsContact C-N 3.31Å; M284-F286 PolarHBondContact O-N 3Å; M284-T287 PolarHBondContact O-N 3.45Å; M284-T287 PolarHBondContact O-OG1 2.76Å; M284-I288 HydrophobicContact CG-CD1 3.98Å; M284-I288 WeakPolarHBondContact O-CB 3.17Å; M284-I288 VanDerWaalsContact O-CG1 3.24Å; M284-I288 WeakPolarHBondContact O-CG1 3.38Å; M284-I288 PolarHBondContact O-N 2.89Å; M284-I288 HydrophobicContact SD-CD1 4.44Å |
| 285 | P | 90.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.6 | -39.1 | 174.5 | -25.3 | 33.2 | 0 | 0 | 0 | 114.1 | I27 V31 D281 I288 C289 | I27-P285 HydrophobicContact CG2-CB 4.4Å; I27-P285 HydrophobicContact CG2-CG 4.34Å; V31-P285 HydrophobicContact CG1-CB 4.26Å; V31-P285 HydrophobicContact CG2-CB 3.73Å; D281-P285 WeakPolarHBondContact O-CD 3.39Å; P285-I288 PolarHBondContact O-N 3.19Å; P285-C289 PolarHBondContact O-N 3.13Å; P285-C289 PolarHBondContact O-SG 3.02Å |
| 286 | F | 92.6 | Very high | 88.8 | Confident | 66 Ų | 66 | 31.8 Ų | 31.8 | 29% | 0.289 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.4 | -41.4 | 178.3 | -65.3 | -73.6 | 0 | 0 | 0 | 111.9 | Y26 I27 V31 T282 A283 M284 I288 C289 I290 | Y26-F286 HydrophobicContact CD2-CZ 4.01Å; Y26-F286 AromaticContact CE2-CE2 3.89Å; Y26-F286 HydrophobicContact CE2-CE2 3.89Å; Y26-F286 AromaticContact CE2-CZ 3.71Å; Y26-F286 HydrophobicContact CE2-CZ 3.71Å; I27-F286 HydrophobicContact CD1-CE2 4.37Å; I27-F286 HydrophobicContact CG1-CE2 3.97Å; I27-F286 HydrophobicContact CG1-CZ 4.09Å; V31-F286 HydrophobicContact CG2-CE1 4.33Å; T282-F286 WeakPolarHBondContact O-CD2 3.16Å; A283-F286 PolarHBondContact O-N 3.01Å; A283-F286 VanDerWaalsContact O-N 3.11Å; M284-F286 VanDerWaalsContact C-N 3.31Å; M284-F286 PolarHBondContact O-N 3Å; F286-I288 VanDerWaalsContact C-N 3.27Å; F286-I288 PolarHBondContact O-N 2.88Å; F286-C289 WeakPolarHBondContact O-CB 3.35Å; F286-C289 PolarHBondContact O-N 2.94Å; F286-I290 WeakPolarHBondContact O-CG1 3.41Å; F286-I290 PolarHBondContact O-N 3.44Å |
| 287 | T | 94.1 | Very high | 88.1 | Confident | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.043 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -35.5 | 175.7 | 70 | 0 | 0 | 0 | 0 | 111.5 | P255 H256 F259 A283 M284 I290 A291 | P255-T287 HydrophobicContact CB-CG2 3.88Å; H256-T287 PolarHBondContact ND1-OG1 3.41Å; F259-T287 HydrophobicContact CD2-CG2 3.35Å; F259-T287 HydrophobicContact CE2-CG2 3.77Å; F259-T287 HydrophobicContact CG-CG2 4.11Å; A283-T287 WeakPolarHBondContact O-CG2 3.28Å; A283-T287 PolarHBondContact O-N 3.27Å; M284-T287 PolarHBondContact O-N 3.45Å; M284-T287 PolarHBondContact O-OG1 2.76Å; T287-I290 PolarHBondContact O-N 2.98Å; T287-A291 WeakPolarHBondContact O-CB 3.34Å; T287-A291 PolarHBondContact O-N 3.43Å |
| 288 | I | 91.1 | Very high | 87.4 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 171.8 | -71.3 | 168.3 | 0 | 0 | 0 | 110.4 | Y35 H256 M284 P285 F286 I290 A291 Y292 | Y35-I288 HydrophobicContact CE1-CG2 4.27Å; Y35-I288 WeakPolarHBondContact OH-CG2 3.21Å; H256-I288 WeakPolarHBondContact CE1-CG1 3.49Å; H256-I288 WeakPolarHBondContact ND1-CG1 3.35Å; M284-I288 HydrophobicContact CG-CD1 3.98Å; M284-I288 WeakPolarHBondContact O-CB 3.17Å; M284-I288 VanDerWaalsContact O-CG1 3.24Å; M284-I288 WeakPolarHBondContact O-CG1 3.38Å; M284-I288 PolarHBondContact O-N 2.89Å; M284-I288 HydrophobicContact SD-CD1 4.44Å; P285-I288 PolarHBondContact O-N 3.19Å; F286-I288 VanDerWaalsContact C-N 3.27Å; F286-I288 PolarHBondContact O-N 2.88Å; I288-I290 VanDerWaalsContact C-N 3.32Å; I288-I290 PolarHBondContact O-N 3.36Å; I288-A291 PolarHBondContact O-N 3.21Å; I288-Y292 HydrophobicContact CG2-CD1 4.23Å; I288-Y292 HydrophobicContact CG2-CD2 3.47Å; I288-Y292 VanDerWaalsContact CG2-CD2 3.47Å; I288-Y292 HydrophobicContact CG2-CE1 3.9Å; I288-Y292 HydrophobicContact CG2-CE2 3.1Å; I288-Y292 HydrophobicContact CG2-CG 4.04Å; I288-Y292 WeakPolarHBondContact O-CB 3.41Å; I288-Y292 VanDerWaalsContact O-CG 3.23Å; I288-Y292 PolarHBondContact O-N 3.29Å |
| 289 | C | 92.6 | Very high | 86.4 | Confident | 10 Ų | 10 | 27.1 Ų | 27.1 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.6 | -46.7 | 175.1 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | V34 Y35 P285 F286 Y292 F293 | V34-C289 HydrophobicContact CG1-CB 3.79Å; Y35-C289 WeakPolarHBondContact CE1-SG 3.24Å; P285-C289 PolarHBondContact O-N 3.13Å; P285-C289 PolarHBondContact O-SG 3.02Å; F286-C289 WeakPolarHBondContact O-CB 3.35Å; F286-C289 PolarHBondContact O-N 2.94Å; C289-Y292 PolarHBondContact O-N 3.43Å; C289-F293 WeakPolarHBondContact O-CB 3.3Å; C289-F293 PolarHBondContact O-N 3.06Å |
| 290 | I | 92.4 | Very high | 85.3 | Confident | 82 Ų | 82 | 27.3 Ų | 27.3 | 42% | 0.421 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.4 | -47 | 177.6 | -66.1 | 166.5 | 0 | 0 | 0 | 110.4 | S252 F286 T287 I288 Y292 F293 | S252-I290 WeakPolarHBondContact CB-O 3.45Å; F286-I290 WeakPolarHBondContact O-CG1 3.41Å; F286-I290 PolarHBondContact O-N 3.44Å; T287-I290 PolarHBondContact O-N 2.98Å; I288-I290 VanDerWaalsContact C-N 3.32Å; I288-I290 PolarHBondContact O-N 3.36Å; I290-Y292 PolarHBondContact O-N 3.35Å; I290-F293 WeakPolarHBondContact O-CB 3.32Å; I290-F293 PolarHBondContact O-N 2.86Å |
| 291 | A | 90.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S252 W253 H256 T287 I288 F293 N294 | S252-A291 VanDerWaalsContact O-CA 3.32Å; S252-A291 WeakPolarHBondContact O-CA 3.15Å; S252-A291 PolarHBondContact O-N 3.5Å; W253-A291 HydrophobicContact CD2-CB 3.87Å; W253-A291 HydrophobicContact CE3-CB 3.67Å; W253-A291 HydrophobicContact CH2-CB 4.24Å; W253-A291 HydrophobicContact CZ2-CB 4.42Å; W253-A291 HydrophobicContact CZ3-CB 3.84Å; H256-A291 HydrophobicContact CB-CB 4.17Å; T287-A291 WeakPolarHBondContact O-CB 3.34Å; T287-A291 PolarHBondContact O-N 3.43Å; I288-A291 PolarHBondContact O-N 3.21Å; A291-F293 VanDerWaalsContact C-N 3.33Å; A291-F293 PolarHBondContact O-N 2.97Å; A291-N294 VanDerWaalsContact O-CB 3.22Å; A291-N294 WeakPolarHBondContact O-CB 3.08Å; A291-N294 PolarHBondContact O-N 2.87Å |
| 292 | Y | 88.8 | Confident | 83.3 | Confident | 8 Ų | 8 | 25.7 Ų | 25.7 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.5 | -26.8 | 180 | -68.9 | -7.5 | 0 | 0 | 0 | 113.1 | Y35 F77 L81 I108 I288 C289 I290 N294 N295 | Y35-Y292 HydrophobicContact CE1-CD2 4.02Å; Y35-Y292 HydrophobicContact CE1-CE2 4.38Å; F77-Y292 HydrophobicContact CE1-CD1 4.23Å; F77-Y292 HydrophobicContact CE1-CD2 4.32Å; F77-Y292 HydrophobicContact CE1-CG 4.06Å; F77-Y292 HydrophobicContact CE2-CD1 4.36Å; F77-Y292 HydrophobicContact CE2-CD2 4.18Å; F77-Y292 HydrophobicContact CE2-CE1 4.01Å; F77-Y292 AromaticContact CE2-CE2 3.76Å; F77-Y292 HydrophobicContact CE2-CE2 3.76Å; F77-Y292 HydrophobicContact CE2-CG 4.45Å; F77-Y292 AromaticContact CE2-CZ 3.69Å; F77-Y292 AromaticContact CZ-CD1 3.72Å; F77-Y292 HydrophobicContact CZ-CD1 3.72Å; F77-Y292 AromaticContact CZ-CD2 3.42Å; F77-Y292 HydrophobicContact CZ-CD2 3.42Å; F77-Y292 VanDerWaalsContact CZ-CD2 3.42Å; F77-Y292 AromaticContact CZ-CE1 3.83Å; F77-Y292 HydrophobicContact CZ-CE1 3.83Å; F77-Y292 AromaticContact CZ-CE2 3.48Å; F77-Y292 HydrophobicContact CZ-CE2 3.48Å; F77-Y292 VanDerWaalsContact CZ-CE2 3.48Å; F77-Y292 AromaticContact CZ-CG 3.52Å; F77-Y292 HydrophobicContact CZ-CG 3.52Å; F77-Y292 AromaticContact CZ-CZ 3.71Å; L81-Y292 HydrophobicContact CD1-CD2 3.99Å; L81-Y292 HydrophobicContact CD1-CE2 4.1Å; I108-Y292 VanDerWaalsContact CD1-OH 3.23Å; I108-Y292 WeakPolarHBondContact CD1-OH 3.5Å; I108-Y292 VanDerWaalsContact CG1-OH 3.28Å; I108-Y292 WeakPolarHBondContact CG1-OH 3.45Å; I108-Y292 HydrophobicContact CG2-CE1 4.23Å; I108-Y292 WeakPolarHBondContact CG2-OH 3.31Å; I288-Y292 HydrophobicContact CG2-CD1 4.23Å; I288-Y292 HydrophobicContact CG2-CD2 3.47Å; I288-Y292 VanDerWaalsContact CG2-CD2 3.47Å; I288-Y292 HydrophobicContact CG2-CE1 3.9Å; I288-Y292 HydrophobicContact CG2-CE2 3.1Å; I288-Y292 HydrophobicContact CG2-CG 4.04Å; I288-Y292 WeakPolarHBondContact O-CB 3.41Å; I288-Y292 VanDerWaalsContact O-CG 3.23Å; I288-Y292 PolarHBondContact O-N 3.29Å; C289-Y292 PolarHBondContact O-N 3.43Å; I290-Y292 PolarHBondContact O-N 3.35Å; Y292-N294 PolarHBondContact O-N 3.1Å; Y292-N294 VanDerWaalsContact O-N 3.16Å; Y292-N295 WeakPolarHBondContact O-CB 3.41Å; Y292-N295 PolarHBondContact O-N 2.88Å |
| 293 | F | 86.2 | Confident | 81.9 | Confident | 77 Ų | 77 | 25.5 Ų | 25.5 | 34% | 0.338 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -60.7 | -24.2 | 175.3 | -162.4 | -105.6 | 0 | 0 | 0 | 112.6 | I38 F248 C289 I290 A291 N295 C296 L297 | I38-F293 HydrophobicContact CD1-CB 4.49Å; I38-F293 HydrophobicContact CG1-CD2 4.02Å; F248-F293 HydrophobicContact CZ-CD1 4.24Å; C289-F293 WeakPolarHBondContact O-CB 3.3Å; C289-F293 PolarHBondContact O-N 3.06Å; I290-F293 WeakPolarHBondContact O-CB 3.32Å; I290-F293 PolarHBondContact O-N 2.86Å; A291-F293 VanDerWaalsContact C-N 3.33Å; A291-F293 PolarHBondContact O-N 2.97Å; F293-N295 PolarHBondContact O-N 3.43Å; F293-C296 WeakPolarHBondContact O-CB 3.3Å; F293-C296 PolarHBondContact O-N 3.45Å; F293-L297 HydrophobicContact CD1-CD1 3.5Å; F293-L297 VanDerWaalsContact CD1-CD1 3.5Å; F293-L297 HydrophobicContact CD1-CG 4.01Å; F293-L297 HydrophobicContact CE1-CD1 3.57Å; F293-L297 HydrophobicContact CE1-CD2 3.97Å; F293-L297 HydrophobicContact CE1-CG 3.85Å; F293-L297 PolarHBondContact O-N 3.04Å |
| 294 | N | 82.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.3 | -36.3 | 170 | 176.3 | 58.5 | 0 | 0 | 0 | 113.3 | F248 F249 S252 A291 Y292 C296 L297 | F248-N294 HydrophobicContact CD1-CB 4.16Å; F248-N294 WeakPolarHBondContact CD1-OD1 3.06Å; F248-N294 HydrophobicContact CE1-CB 3.91Å; F249-N294 WeakPolarHBondContact CD2-ND2 3.47Å; S252-N294 WeakPolarHBondContact OG-CB 3.36Å; A291-N294 VanDerWaalsContact O-CB 3.22Å; A291-N294 WeakPolarHBondContact O-CB 3.08Å; A291-N294 PolarHBondContact O-N 2.87Å; Y292-N294 PolarHBondContact O-N 3.1Å; Y292-N294 VanDerWaalsContact O-N 3.16Å; N294-C296 PolarHBondContact O-N 3.17Å; N294-L297 PolarHBondContact O-N 3.4Å; N294-L297 VanDerWaalsContact O-N 3.12Å |
| 295 | N | 78.9 | Confident | 79 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67 | -19.8 | 178.1 | -64.4 | -24.7 | 0 | 0 | 0 | 112 | N46 D74 F77 N111 Y292 F293 | N46-N295 PolarHBondContact ND2-O 3.01Å; D74-N295 HydrophobicContact CB-CB 4.26Å; D74-N295 PolarHBondContact OD1-OD1 2.97Å; D74-N295 VanDerWaalsContact OD1-OD1 3.08Å; F77-N295 VanDerWaalsContact CD1-ND2 3.26Å; F77-N295 WeakPolarHBondContact CD1-ND2 3.38Å; F77-N295 VanDerWaalsContact CE1-ND2 3.32Å; F77-N295 WeakPolarHBondContact CE1-ND2 3.46Å; N111-N295 PolarHBondContact OD1-ND2 3.46Å; N111-N295 VanDerWaalsContact OD1-ND2 3.12Å; Y292-N295 WeakPolarHBondContact O-CB 3.41Å; Y292-N295 PolarHBondContact O-N 2.88Å; F293-N295 PolarHBondContact O-N 3.43Å |
| 296 | C | 77.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -85.2 | -20.9 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | I38 I41 F293 N294 P299 F300 | I38-C296 VanDerWaalsContact CA-SG 3.52Å; I38-C296 VanDerWaalsContact CG2-SG 3.58Å; I38-C296 PolarHBondContact O-SG 2.98Å; I41-C296 HydrophobicContact CB-CB 4.38Å; I41-C296 HydrophobicContact CG2-CB 3.83Å; F293-C296 WeakPolarHBondContact O-CB 3.3Å; F293-C296 PolarHBondContact O-N 3.45Å; N294-C296 PolarHBondContact O-N 3.17Å; C296-P299 WeakPolarHBondContact O-CD 3.43Å; C296-F300 WeakPolarHBondContact O-CD2 3.4Å |
| 297 | L | 73.4 | Confident | 76.8 | Confident | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -96.3 | -19.4 | -167.3 | -72.5 | 170.2 | 0 | 0 | 0 | 114.4 | F248 F293 N294 P299 F300 F301 | F248-L297 HydrophobicContact CD1-CD1 3.76Å; F248-L297 HydrophobicContact CD2-CD1 4.03Å; F248-L297 HydrophobicContact CE1-CB 4.49Å; F248-L297 HydrophobicContact CE1-CD1 3.17Å; F248-L297 HydrophobicContact CE1-CG 4.39Å; F248-L297 HydrophobicContact CE2-CD1 3.44Å; F248-L297 VanDerWaalsContact CE2-CD1 3.44Å; F248-L297 HydrophobicContact CG-CD1 4.18Å; F248-L297 HydrophobicContact CZ-CD1 2.99Å; F248-L297 HydrophobicContact CZ-CG 4.45Å; F293-L297 HydrophobicContact CD1-CD1 3.5Å; F293-L297 VanDerWaalsContact CD1-CD1 3.5Å; F293-L297 HydrophobicContact CD1-CG 4.01Å; F293-L297 HydrophobicContact CE1-CD1 3.57Å; F293-L297 HydrophobicContact CE1-CD2 3.97Å; F293-L297 HydrophobicContact CE1-CG 3.85Å; F293-L297 PolarHBondContact O-N 3.04Å; N294-L297 PolarHBondContact O-N 3.4Å; N294-L297 VanDerWaalsContact O-N 3.12Å; L297-P299 VanDerWaalsContact C-N 3.33Å; L297-F300 HydrophobicContact CD2-CB 4.48Å; L297-F300 HydrophobicContact CD2-CD2 3.94Å; L297-F300 HydrophobicContact CD2-CG 4.4Å; L297-F300 PolarHBondContact O-N 2.91Å; L297-F301 HydrophobicContact CB-CD2 4.15Å; L297-F301 HydrophobicContact CB-CE2 3.7Å; L297-F301 HydrophobicContact CB-CZ 4.47Å; L297-F301 WeakPolarHBondContact O-CD2 3.28Å; L297-F301 PolarHBondContact O-N 3.27Å |
| 298 | N | 71.6 | Confident | 75.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -44.1 | -53.6 | 171.4 | -74.3 | -23.2 | 0 | 0 | 0 | 111.7 | D74 F300 F301 Y302 | D74-N298 PolarHBondContact OD2-ND2 3.07Å; N298-F300 PolarHBondContact O-N 3.36Å; N298-F301 PolarHBondContact O-N 3.25Å; N298-Y302 VanDerWaalsContact C-CD2 3.4Å; N298-Y302 HydrophobicContact CB-CE2 3.82Å; N298-Y302 WeakPolarHBondContact O-CD2 3.19Å; N298-Y302 WeakPolarHBondContact O-CE2 3.37Å; N298-Y302 VanDerWaalsContact O-CG 3.32Å; N298-Y302 PolarHBondContact O-N 3.49Å; N298-Y302 VanDerWaalsContact O-N 3.15Å |
| 299 | P | 66.1 | Low | 74.3 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.4 | -45.4 | 174.1 | -26.4 | 34.3 | 0 | 0 | 0 | 115.3 | G45 V49 C296 L297 Y302 V303 | G45-P299 VanDerWaalsContact CA-CG 3.43Å; G45-P299 WeakPolarHBondContact O-CG 3.41Å; V49-P299 HydrophobicContact CG2-CB 3.94Å; V49-P299 HydrophobicContact CG2-CG 3.88Å; C296-P299 WeakPolarHBondContact O-CD 3.43Å; L297-P299 VanDerWaalsContact C-N 3.33Å; P299-Y302 PolarHBondContact O-N 3.19Å; P299-V303 WeakPolarHBondContact O-CG2 3.34Å; P299-V303 PolarHBondContact O-N 3.22Å |
| 300 | F | 68.3 | Low | 73.4 | Confident | 99 Ų | 99 | 42.6 Ų | 42.6 | 43% | 0.434 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 179.9 | -71 | -85.2 | 0 | 0 | 0 | 110.8 | I41 C296 L297 N298 Y302 V303 F304 | I41-F300 HydrophobicContact CG2-CE2 3.87Å; I41-F300 HydrophobicContact CG2-CZ 4.43Å; C296-F300 WeakPolarHBondContact O-CD2 3.4Å; L297-F300 HydrophobicContact CD2-CB 4.48Å; L297-F300 HydrophobicContact CD2-CD2 3.94Å; L297-F300 HydrophobicContact CD2-CG 4.4Å; L297-F300 PolarHBondContact O-N 2.91Å; N298-F300 PolarHBondContact O-N 3.36Å; F300-Y302 VanDerWaalsContact C-N 3.28Å; F300-Y302 PolarHBondContact O-N 3.26Å; F300-V303 PolarHBondContact O-N 2.9Å; F300-F304 HydrophobicContact CB-CD2 4.28Å; F300-F304 HydrophobicContact CB-CE2 4.36Å; F300-F304 HydrophobicContact CD1-CE2 4Å; F300-F304 WeakPolarHBondContact O-CD2 3.32Å; F300-F304 PolarHBondContact O-N 3.41Å |
| 301 | F | 69.7 | Low | 72.7 | Confident | 29 Ų | 29 | 44.4 Ų | 44.4 | 13% | 0.127 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 176.2 | -67.1 | -59.3 | 0 | 0 | 0 | 111.8 | M241 A244 I245 F248 L297 N298 F305 | M241-F301 HydrophobicContact CG-CB 4.25Å; M241-F301 WeakPolarHBondContact CG-O 3.35Å; A244-F301 HydrophobicContact CB-CD1 3.82Å; A244-F301 HydrophobicContact CB-CE1 3.74Å; I245-F301 HydrophobicContact CB-CD2 4.34Å; I245-F301 HydrophobicContact CD1-CB 3.86Å; I245-F301 HydrophobicContact CD1-CG 4.48Å; I245-F301 HydrophobicContact CG1-CB 3.46Å; I245-F301 VanDerWaalsContact CG1-CB 3.46Å; I245-F301 HydrophobicContact CG1-CD1 4.43Å; I245-F301 HydrophobicContact CG1-CD2 3.49Å; I245-F301 VanDerWaalsContact CG1-CD2 3.49Å; I245-F301 HydrophobicContact CG1-CE2 4.35Å; I245-F301 HydrophobicContact CG1-CG 3.55Å; F248-F301 HydrophobicContact CB-CE2 3.88Å; F248-F301 HydrophobicContact CB-CZ 3.63Å; F248-F301 HydrophobicContact CD1-CE2 4.29Å; F248-F301 HydrophobicContact CD2-CZ 4.17Å; F248-F301 AromaticContact CG-CE2 3.99Å; F248-F301 HydrophobicContact CG-CE2 3.99Å; F248-F301 AromaticContact CG-CZ 3.81Å; F248-F301 HydrophobicContact CG-CZ 3.81Å; L297-F301 HydrophobicContact CB-CD2 4.15Å; L297-F301 HydrophobicContact CB-CE2 3.7Å; L297-F301 HydrophobicContact CB-CZ 4.47Å; L297-F301 WeakPolarHBondContact O-CD2 3.28Å; L297-F301 PolarHBondContact O-N 3.27Å; N298-F301 PolarHBondContact O-N 3.25Å; F301-F305 HydrophobicContact CB-CD2 4.49Å; F301-F305 HydrophobicContact CD1-CD2 4.14Å; F301-F305 AromaticContact CD1-CE2 3.82Å; F301-F305 HydrophobicContact CD1-CE2 3.82Å; F301-F305 HydrophobicContact CE1-CE2 4.46Å; F301-F305 WeakPolarHBondContact O-CB 3.42Å; F301-F305 WeakPolarHBondContact O-CD2 3.3Å; F301-F305 PolarHBondContact O-N 3.3Å |
| 302 | Y | 66.7 | Low | 71.9 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 177.2 | -53 | -51 | 0 | 0 | 0 | 113.1 | V49 L67 M241 I245 N298 P299 F300 G306 F309 | V49-Y302 HydrophobicContact CB-CD2 4.4Å; V49-Y302 HydrophobicContact CG1-CD2 3.98Å; V49-Y302 HydrophobicContact CG1-CE2 3.84Å; V49-Y302 HydrophobicContact CG2-CD2 3.45Å; V49-Y302 VanDerWaalsContact CG2-CD2 3.45Å; V49-Y302 HydrophobicContact CG2-CE2 3.81Å; L67-Y302 HydrophobicContact CB-CE1 4.48Å; L67-Y302 HydrophobicContact CD1-CD1 4.04Å; L67-Y302 HydrophobicContact CD1-CE1 3.62Å; L67-Y302 HydrophobicContact CD2-CE1 3.57Å; L67-Y302 WeakPolarHBondContact CD2-OH 3.46Å; L67-Y302 HydrophobicContact CG-CE1 4.05Å; M241-Y302 HydrophobicContact CE-CD1 3.82Å; M241-Y302 HydrophobicContact CE-CE1 4.11Å; M241-Y302 HydrophobicContact CG-CD1 4.48Å; M241-Y302 HydrophobicContact SD-CD1 3.62Å; M241-Y302 HydrophobicContact SD-CE1 4.39Å; I245-Y302 HydrophobicContact CD1-CD1 4.3Å; I245-Y302 HydrophobicContact CD1-CE1 3.62Å; N298-Y302 VanDerWaalsContact C-CD2 3.4Å; N298-Y302 HydrophobicContact CB-CE2 3.82Å; N298-Y302 WeakPolarHBondContact O-CD2 3.19Å; N298-Y302 WeakPolarHBondContact O-CE2 3.37Å; N298-Y302 VanDerWaalsContact O-CG 3.32Å; N298-Y302 PolarHBondContact O-N 3.49Å; N298-Y302 VanDerWaalsContact O-N 3.15Å; P299-Y302 PolarHBondContact O-N 3.19Å; F300-Y302 VanDerWaalsContact C-N 3.28Å; F300-Y302 PolarHBondContact O-N 3.26Å; Y302-G306 WeakPolarHBondContact O-CA 3.34Å; Y302-G306 PolarHBondContact O-N 3.02Å; Y302-F309 VanDerWaalsContact C-CD1 3.41Å; Y302-F309 HydrophobicContact CD2-CZ 4.45Å; Y302-F309 HydrophobicContact CG-CE2 4.42Å; Y302-F309 HydrophobicContact CG-CZ 4.48Å; Y302-F309 WeakPolarHBondContact O-CD1 3.39Å |
| 303 | V | 62.4 | Low | 71.2 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | P299 F300 F309 K310 F313 | P299-V303 WeakPolarHBondContact O-CG2 3.34Å; P299-V303 PolarHBondContact O-N 3.22Å; F300-V303 PolarHBondContact O-N 2.9Å; V303-F309 HydrophobicContact CG2-CD1 4.03Å; V303-F309 HydrophobicContact CG2-CE1 3.68Å; V303-K310 HydrophobicContact CG1-CG 4.47Å; V303-K310 VanDerWaalsContact O-CB 3.24Å; V303-K310 WeakPolarHBondContact O-CB 3.43Å; V303-K310 WeakPolarHBondContact O-CD 3.35Å; V303-K310 VanDerWaalsContact O-CG 3.29Å; V303-K310 WeakPolarHBondContact O-CG 3.4Å; V303-F313 HydrophobicContact CB-CD1 4.19Å; V303-F313 HydrophobicContact CB-CE1 4.31Å; V303-F313 HydrophobicContact CG1-CD1 3.52Å; V303-F313 HydrophobicContact CG1-CE1 3.57Å; V303-F313 HydrophobicContact CG1-CG 4.44Å; V303-F313 HydrophobicContact CG2-CB 4.27Å; V303-F313 HydrophobicContact CG2-CD1 3.53Å; V303-F313 HydrophobicContact CG2-CD2 4.07Å; V303-F313 HydrophobicContact CG2-CE1 3.7Å; V303-F313 HydrophobicContact CG2-CE2 4.24Å; V303-F313 HydrophobicContact CG2-CG 3.67Å; V303-F313 HydrophobicContact CG2-CZ 4.01Å |
| 304 | F | 61.7 | Low | 70.8 | Confident | 135 Ų | 135 | 48.3 Ų | 48.3 | 59% | 0.592 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -79.2 | -35.3 | -175.1 | -75.4 | -67.5 | 0 | 0 | 0 | 113.1 | F300 | F300-F304 HydrophobicContact CB-CD2 4.28Å; F300-F304 HydrophobicContact CB-CE2 4.36Å; F300-F304 HydrophobicContact CD1-CE2 4Å; F300-F304 WeakPolarHBondContact O-CD2 3.32Å; F300-F304 PolarHBondContact O-N 3.41Å |
| 305 | F | 61.1 | Low | 70.5 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 30% | 0.303 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -113.4 | -11.5 | -171 | -59.6 | -87.9 | 0 | 0 | 0 | 114.1 | D237 K240 M241 A244 F301 | D237-F305 CarbonylContact C-O 3.56Å; D237-F305 VanDerWaalsContact C-O 3.26Å; D237-F305 WeakPolarHBondContact CB-O 3.48Å; K240-F305 HydrophobicContact CB-CD1 3.94Å; K240-F305 HydrophobicContact CB-CE1 4.31Å; M241-F305 HydrophobicContact CB-CB 3.29Å; M241-F305 HydrophobicContact CB-CG 4.08Å; M241-F305 HydrophobicContact CG-CB 3.66Å; M241-F305 HydrophobicContact CG-CG 4.44Å; M241-F305 HydrophobicContact SD-CB 4.33Å; A244-F305 HydrophobicContact CB-CE2 4.28Å; A244-F305 HydrophobicContact CB-CZ 4.32Å; F301-F305 HydrophobicContact CB-CD2 4.49Å; F301-F305 HydrophobicContact CD1-CD2 4.14Å; F301-F305 AromaticContact CD1-CE2 3.82Å; F301-F305 HydrophobicContact CD1-CE2 3.82Å; F301-F305 HydrophobicContact CE1-CE2 4.46Å; F301-F305 WeakPolarHBondContact O-CB 3.42Å; F301-F305 WeakPolarHBondContact O-CD2 3.3Å; F301-F305 PolarHBondContact O-N 3.3Å |
| 306 | G | 66.1 | Low | 70.2 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | trans | -96.3 | 97.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y302 N308 F309 K310 | Y302-G306 WeakPolarHBondContact O-CA 3.34Å; Y302-G306 PolarHBondContact O-N 3.02Å; G306-N308 VanDerWaalsContact C-N 3.31Å; G306-N308 PolarHBondContact O-N 2.89Å; G306-F309 CarbonylContact O-C 3.13Å; G306-F309 PolarHBondContact O-N 2.91Å; G306-K310 VanDerWaalsContact O-CB 3.29Å; G306-K310 WeakPolarHBondContact O-CB 3.12Å; G306-K310 PolarHBondContact O-N 3.39Å | ||
| 307 | K | 69.7 | Low | 70 | Confident | 127 Ų | 127 | 57.4 Ų | 57.4 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -50.3 | -46.4 | 178.4 | -78.6 | -177.7 | 161 | -176.7 | 0 | 114.1 | N235 D237 K311 | N235-K307 WeakPolarHBondContact ND2-CE 3.21Å; N235-K307 PolarHBondContact ND2-NZ 3Å; D237-K307 WeakPolarHBondContact OD2-CD 3.4Å; D237-K307 WeakPolarHBondContact OD2-CE 3.42Å; D237-K307 WeakPolarHBondContact OD2-CG 3.44Å; D237-K307 IonicContact OD2-NZ 3.81Å; K307-K311 WeakPolarHBondContact O-CB 3.4Å; K307-K311 PolarHBondContact O-N 3.04Å; K307-K311 VanDerWaalsContact O-N 3.08Å |
| 308 | N | 66.6 | Low | 70 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.3 | -41.5 | 177.8 | -68.5 | -18.3 | 0 | 0 | 0 | 111.4 | G306 K311 Y312 | G306-N308 VanDerWaalsContact C-N 3.31Å; G306-N308 PolarHBondContact O-N 2.89Å; N308-K311 PolarHBondContact O-N 2.91Å; N308-Y312 HydrophobicContact CB-CE2 4.44Å; N308-Y312 WeakPolarHBondContact O-CD2 3.31Å; N308-Y312 PolarHBondContact O-N 2.83Å; N308-Y312 VanDerWaalsContact O-N 3.15Å |
| 309 | F | 67.3 | Low | 69.4 | Low | 12 Ų | 12 | 72.9 Ų | 72.9 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 178.1 | -171.3 | -80.5 | 0 | 0 | 0 | 111.1 | V49 V52 I53 M57 Y302 V303 G306 K311 Y312 F313 | V49-F309 HydrophobicContact CB-CZ 4.43Å; V49-F309 HydrophobicContact CG1-CE2 4.47Å; V49-F309 HydrophobicContact CG2-CE2 4.37Å; V49-F309 HydrophobicContact CG2-CZ 3.87Å; V52-F309 HydrophobicContact CB-CD2 4.12Å; V52-F309 HydrophobicContact CB-CE2 3.59Å; V52-F309 HydrophobicContact CB-CZ 3.95Å; V52-F309 HydrophobicContact CG1-CD2 3.43Å; V52-F309 VanDerWaalsContact CG1-CD2 3.43Å; V52-F309 HydrophobicContact CG1-CE2 3.45Å; V52-F309 VanDerWaalsContact CG1-CE2 3.45Å; V52-F309 HydrophobicContact CG1-CG 4.04Å; V52-F309 HydrophobicContact CG1-CZ 4.07Å; V52-F309 HydrophobicContact CG2-CE2 4.24Å; V52-F309 HydrophobicContact CG2-CZ 4.09Å; I53-F309 HydrophobicContact CG1-CE2 4.41Å; M57-F309 HydrophobicContact SD-CD2 4.24Å; Y302-F309 VanDerWaalsContact C-CD1 3.41Å; Y302-F309 HydrophobicContact CD2-CZ 4.45Å; Y302-F309 HydrophobicContact CG-CE2 4.42Å; Y302-F309 HydrophobicContact CG-CZ 4.48Å; Y302-F309 WeakPolarHBondContact O-CD1 3.39Å; V303-F309 HydrophobicContact CG2-CD1 4.03Å; V303-F309 HydrophobicContact CG2-CE1 3.68Å; G306-F309 CarbonylContact O-C 3.13Å; G306-F309 PolarHBondContact O-N 2.91Å; F309-K311 VanDerWaalsContact C-N 3.29Å; F309-K311 PolarHBondContact O-N 3.28Å; F309-Y312 PolarHBondContact O-N 3.23Å; F309-F313 HydrophobicContact CD1-CB 4.38Å; F309-F313 HydrophobicContact CE1-CB 4.32Å; F309-F313 VanDerWaalsContact O-CB 3.26Å; F309-F313 WeakPolarHBondContact O-CB 3.19Å; F309-F313 PolarHBondContact O-N 3.35Å |
| 310 | K | 74.3 | Confident | 68.8 | Low | 92 Ų | 92 | 77 Ų | 77 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -52.4 | -44.9 | 173.4 | -169.2 | 175.6 | -178.3 | 172.4 | 0 | 112 | V303 G306 L314 | V303-K310 HydrophobicContact CG1-CG 4.47Å; V303-K310 VanDerWaalsContact O-CB 3.24Å; V303-K310 WeakPolarHBondContact O-CB 3.43Å; V303-K310 WeakPolarHBondContact O-CD 3.35Å; V303-K310 VanDerWaalsContact O-CG 3.29Å; V303-K310 WeakPolarHBondContact O-CG 3.4Å; G306-K310 VanDerWaalsContact O-CB 3.29Å; G306-K310 WeakPolarHBondContact O-CB 3.12Å; G306-K310 PolarHBondContact O-N 3.39Å; K310-L314 HydrophobicContact CG-CD1 4.03Å; K310-L314 HydrophobicContact CG-CG 4.46Å; K310-L314 WeakPolarHBondContact O-CB 3.4Å; K310-L314 VanDerWaalsContact O-CG 3.25Å; K310-L314 WeakPolarHBondContact O-CG 3.29Å; K310-L314 PolarHBondContact O-N 3.42Å |
| 311 | K | 77.9 | Confident | 67.8 | Low | 120 Ų | 120 | 77.1 Ų | 77.1 | 52% | 0.522 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.3 | -52 | 177.4 | 178.8 | 179.8 | 174.8 | -179.4 | 0 | 111.3 | K307 N308 F309 L314 Q315 | K307-K311 WeakPolarHBondContact O-CB 3.4Å; K307-K311 PolarHBondContact O-N 3.04Å; K307-K311 VanDerWaalsContact O-N 3.08Å; N308-K311 PolarHBondContact O-N 2.91Å; F309-K311 VanDerWaalsContact C-N 3.29Å; F309-K311 PolarHBondContact O-N 3.28Å; K311-L314 PolarHBondContact O-N 3.45Å; K311-Q315 WeakPolarHBondContact O-CG 3.46Å; K311-Q315 PolarHBondContact O-N 3.13Å |
| 312 | Y | 73.1 | Confident | 66.9 | Low | 68 Ų | 68 | 79.3 Ų | 79.3 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.8 | -36.8 | -179.2 | -64.9 | -58.9 | 0 | 0 | 0 | 112.6 | Y56 M57 N308 F309 Q315 L316 | Y56-Y312 AromaticContact CD1-CD1 3.57Å; Y56-Y312 HydrophobicContact CD1-CD1 3.57Å; Y56-Y312 HydrophobicContact CD1-CE1 4.22Å; Y56-Y312 HydrophobicContact CD1-CG 4.15Å; Y56-Y312 HydrophobicContact CE1-CD1 4.5Å; Y56-Y312 AromaticContact CG-CD1 3.99Å; Y56-Y312 HydrophobicContact CG-CD1 3.99Å; Y56-Y312 HydrophobicContact CG-CG 4.12Å; M57-Y312 HydrophobicContact CG-CD2 4.28Å; M57-Y312 HydrophobicContact CG-CE2 4.41Å; N308-Y312 HydrophobicContact CB-CE2 4.44Å; N308-Y312 WeakPolarHBondContact O-CD2 3.31Å; N308-Y312 PolarHBondContact O-N 2.83Å; N308-Y312 VanDerWaalsContact O-N 3.15Å; F309-Y312 PolarHBondContact O-N 3.23Å; Y312-Q315 WeakPolarHBondContact O-CB 3.23Å; Y312-Q315 PolarHBondContact O-N 2.9Å; Y312-L316 PolarHBondContact O-N 2.09Å |
| 313 | F | 73.9 | Confident | 65.9 | Low | 30 Ų | 30 | 87.1 Ų | 87.1 | 13% | 0.132 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 173.1 | 171 | -112 | 0 | 0 | 0 | 112.2 | L48 V303 F309 Q315 L316 I317 | L48-F313 HydrophobicContact CD1-CD2 3.94Å; L48-F313 HydrophobicContact CD1-CE2 4.32Å; L48-F313 HydrophobicContact CD2-CD2 3.34Å; L48-F313 HydrophobicContact CD2-CE2 3.16Å; L48-F313 HydrophobicContact CD2-CZ 4.32Å; L48-F313 HydrophobicContact CG-CD2 4.03Å; L48-F313 HydrophobicContact CG-CE2 4.25Å; V303-F313 HydrophobicContact CB-CD1 4.19Å; V303-F313 HydrophobicContact CB-CE1 4.31Å; V303-F313 HydrophobicContact CG1-CD1 3.52Å; V303-F313 HydrophobicContact CG1-CE1 3.57Å; V303-F313 HydrophobicContact CG1-CG 4.44Å; V303-F313 HydrophobicContact CG2-CB 4.27Å; V303-F313 HydrophobicContact CG2-CD1 3.53Å; V303-F313 HydrophobicContact CG2-CD2 4.07Å; V303-F313 HydrophobicContact CG2-CE1 3.7Å; V303-F313 HydrophobicContact CG2-CE2 4.24Å; V303-F313 HydrophobicContact CG2-CG 3.67Å; V303-F313 HydrophobicContact CG2-CZ 4.01Å; F309-F313 HydrophobicContact CD1-CB 4.38Å; F309-F313 HydrophobicContact CE1-CB 4.32Å; F309-F313 VanDerWaalsContact O-CB 3.26Å; F309-F313 WeakPolarHBondContact O-CB 3.19Å; F309-F313 PolarHBondContact O-N 3.35Å; F313-Q315 VanDerWaalsContact C-N 3.29Å; F313-Q315 PolarHBondContact O-N 3.16Å; F313-L316 WeakPolarHBondContact O-CB 2.94Å; F313-L316 PolarHBondContact O-N 3.29Å; F313-I317 HydrophobicContact CD1-CD1 4.35Å; F313-I317 HydrophobicContact CD2-CD1 4.17Å; F313-I317 HydrophobicContact CD2-CG1 4.44Å; F313-I317 HydrophobicContact CE1-CD1 3.63Å; F313-I317 HydrophobicContact CE2-CD1 3.38Å; F313-I317 HydrophobicContact CE2-CG1 4Å; F313-I317 HydrophobicContact CZ-CD1 3.12Å; F313-I317 HydrophobicContact CZ-CG1 4.19Å; F313-I317 PolarHBondContact O-N 2.94Å |
| 314 | L | 77.4 | Confident | 64.8 | Low | 70 Ų | 70 | 92.4 Ų | 92.4 | 37% | 0.366 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.4 | -31.1 | 176.9 | -70.6 | 173.4 | 0 | 0 | 0 | 112.3 | K310 K311 K318 | K310-L314 HydrophobicContact CG-CD1 4.03Å; K310-L314 HydrophobicContact CG-CG 4.46Å; K310-L314 WeakPolarHBondContact O-CB 3.4Å; K310-L314 VanDerWaalsContact O-CG 3.25Å; K310-L314 WeakPolarHBondContact O-CG 3.29Å; K310-L314 PolarHBondContact O-N 3.42Å; K311-L314 PolarHBondContact O-N 3.45Å; L314-K318 VanDerWaalsContact O-CB 3.22Å; L314-K318 WeakPolarHBondContact O-CB 3.42Å; L314-K318 VanDerWaalsContact O-CG 3.25Å; L314-K318 WeakPolarHBondContact O-CG 3.48Å; L314-K318 PolarHBondContact O-N 3.46Å |
| 315 | Q | 76.1 | Confident | 63.8 | Low | 46 Ų | 46 | 91 Ų | 91 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 173.3 | -75.4 | 175.9 | -20.3 | 0 | 0 | 112 | K311 Y312 F313 K318 Y319 I320 | K311-Q315 WeakPolarHBondContact O-CG 3.46Å; K311-Q315 PolarHBondContact O-N 3.13Å; Y312-Q315 WeakPolarHBondContact O-CB 3.23Å; Y312-Q315 PolarHBondContact O-N 2.9Å; F313-Q315 VanDerWaalsContact C-N 3.29Å; F313-Q315 PolarHBondContact O-N 3.16Å; Q315-K318 PolarHBondContact O-N 2.99Å; Q315-Y319 PolarHBondContact O-N 3.33Å; Q315-I320 PolarHBondContact O-N 3.4Å; Q315-I320 VanDerWaalsContact O-N 3.12Å |
| 316 | L | 72.6 | Confident | 62.5 | Low | 50 Ų | 50 | 91.9 Ų | 91.9 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 174.3 | -86.1 | 156.5 | 0 | 0 | 0 | 112.1 | L48 I51 V52 Y56 Y312 F313 K318 Y319 | L48-L316 HydrophobicContact CD1-CD1 3.97Å; I51-L316 HydrophobicContact CG2-CD1 4.2Å; I51-L316 HydrophobicContact CG2-CD2 4.35Å; V52-L316 HydrophobicContact CG2-CD1 3.54Å; Y56-L316 HydrophobicContact CD2-CD1 4.16Å; Y56-L316 HydrophobicContact CE2-CD1 3.59Å; Y56-L316 HydrophobicContact CE2-CD2 3.87Å; Y56-L316 HydrophobicContact CE2-CG 3.75Å; Y56-L316 WeakPolarHBondContact OH-CD2 3.46Å; Y312-L316 PolarHBondContact O-N 2.09Å; F313-L316 WeakPolarHBondContact O-CB 2.94Å; F313-L316 PolarHBondContact O-N 3.29Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 3.34Å; L316-Y319 PolarHBondContact O-N 3.38Å |
| 317 | I | 74 | Confident | 61.1 | Low | 95 Ų | 95 | 100 Ų | 100 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 179.1 | -72 | -174 | 0 | 0 | 0 | 111.9 | F313 Y319 | F313-I317 HydrophobicContact CD1-CD1 4.35Å; F313-I317 HydrophobicContact CD2-CD1 4.17Å; F313-I317 HydrophobicContact CD2-CG1 4.44Å; F313-I317 HydrophobicContact CE1-CD1 3.63Å; F313-I317 HydrophobicContact CE2-CD1 3.38Å; F313-I317 HydrophobicContact CE2-CG1 4Å; F313-I317 HydrophobicContact CZ-CD1 3.12Å; F313-I317 HydrophobicContact CZ-CG1 4.19Å; F313-I317 PolarHBondContact O-N 2.94Å; I317-Y319 VanDerWaalsContact C-N 3.29Å; I317-Y319 PolarHBondContact O-N 3.37Å |
| 318 | K | 74.1 | Confident | 59.7 | Low | 141 Ų | 141 | 99.4 Ų | 99.4 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 5.2 | -178.2 | -68 | -177.4 | 174.7 | -170 | 0 | 113.9 | L314 Q315 L316 I320 | L314-K318 VanDerWaalsContact O-CB 3.22Å; L314-K318 WeakPolarHBondContact O-CB 3.42Å; L314-K318 VanDerWaalsContact O-CG 3.25Å; L314-K318 WeakPolarHBondContact O-CG 3.48Å; L314-K318 PolarHBondContact O-N 3.46Å; Q315-K318 PolarHBondContact O-N 2.99Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 3.34Å; K318-I320 HydrophobicContact CB-CD1 3.94Å; K318-I320 HydrophobicContact CB-CG1 3.91Å; K318-I320 HydrophobicContact CD-CD1 4.37Å; K318-I320 PolarHBondContact O-N 2.93Å; K318-I320 VanDerWaalsContact O-N 3.12Å |
| 319 | Y | 59.2 | Low | 58.3 | Low | 213 Ų | 213 | 99.2 Ų | 99.2 | 84% | 0.835 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 35.9 | -174.8 | -82.7 | -89.9 | 0 | 0 | 0 | 113.3 | Q315 L316 I317 P321 | Q315-Y319 PolarHBondContact O-N 3.33Å; L316-Y319 PolarHBondContact O-N 3.38Å; I317-Y319 VanDerWaalsContact C-N 3.29Å; I317-Y319 PolarHBondContact O-N 3.37Å; Y319-P321 WeakPolarHBondContact O-CD 3.29Å |
| 320 | I | 53.5 | Low | 56.9 | Low | 94 Ų | 94 | 106.5 Ų | 106.5 | 48% | 0.482 | 57% | 0.57 | S | S | . | * | trans | -89.2 | 108.3 | 176.6 | -58.9 | 174.3 | 0 | 0 | 0 | 106.8 | Q315 K318 | Q315-I320 PolarHBondContact O-N 3.4Å; Q315-I320 VanDerWaalsContact O-N 3.12Å; K318-I320 HydrophobicContact CB-CD1 3.94Å; K318-I320 HydrophobicContact CB-CG1 3.91Å; K318-I320 HydrophobicContact CD-CD1 4.37Å; K318-I320 PolarHBondContact O-N 2.93Å; K318-I320 VanDerWaalsContact O-N 3.12Å | ||
| 321 | P | 47.4 | Very low | 55.1 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 66% | 0.656 | 59% | 0.586 | S | S | * | * | trans | -58.6 | 141.9 | 178.7 | 22.4 | -30.6 | 0 | 0 | 0 | 109.8 | Y319 N323 | Y319-P321 WeakPolarHBondContact O-CD 3.29Å; P321-N323 PolarHBondContact O-N 2.93Å | ||
| 322 | P | 49.8 | Very low | 53.2 | Low | 75 Ų | 75 | 107.8 Ų | 107.8 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | trans | -60.7 | 125.7 | 177.4 | 24 | -30.9 | 0 | 0 | 0 | 108.9 | V324 | P322-V324 VanDerWaalsContact C-N 3.35Å; P322-V324 PolarHBondContact O-N 3.33Å | ||
| 323 | N | 45.3 | Very low | 51.4 | Low | 166 Ų | 166 | 113.5 Ų | 113.5 | 89% | 0.888 | 62% | 0.622 | S | S | * | * | trans | -58.4 | 101.8 | 167.4 | -95.3 | -6.6 | 0 | 0 | 0 | 108 | P321 S325 | P321-N323 PolarHBondContact O-N 2.93Å; N323-S325 VanDerWaalsContact C-N 3.3Å; N323-S325 PolarHBondContact O-N 2.84Å | ||
| 324 | V | 40.2 | Very low | 49.7 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 78% | 0.782 | 66% | 0.657 | S | S | * | * | trans | -65.5 | 99.6 | 163.4 | -179.5 | 0 | 0 | 0 | 0 | 104.9 | P322 A326 | P322-V324 VanDerWaalsContact C-N 3.35Å; P322-V324 PolarHBondContact O-N 3.33Å; V324-A326 PolarHBondContact O-N 3.49Å | ||
| 325 | S | 41.5 | Very low | 47.8 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | trans | -57.9 | 106.2 | 164.1 | 50.7 | 0 | 0 | 0 | 0 | 106.6 | N323 H327 | N323-S325 VanDerWaalsContact C-N 3.3Å; N323-S325 PolarHBondContact O-N 2.84Å; S325-H327 PolarHBondContact O-N 2.98Å | ||
| 326 | A | 32.9 | Very low | 45.9 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | trans | -50.5 | 126.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108 | V324 | V324-A326 PolarHBondContact O-N 3.49Š| ||
| 327 | H | 37.2 | Very low | 44.2 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | trans | -53.3 | 137.2 | 164.9 | -86.5 | -82.7 | 0 | 0 | 0 | 107.8 | S325 S329 | S325-H327 PolarHBondContact O-N 2.98Å; H327-S329 PolarHBondContact O-N 3.19Å | ||
| 328 | P | 40.3 | Very low | 42.4 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | trans | -60.6 | 112.3 | 166.5 | 26 | -29.8 | 0 | 0 | 0 | 106.1 | L330 | P328-L330 PolarHBondContact O-N 3.17Å; P328-L330 VanDerWaalsContact O-N 3.1Å | ||
| 329 | S | 35.8 | Very low | 40.5 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -50.5 | 117.5 | 171.2 | 43.5 | 0 | 0 | 0 | 0 | 108.2 | H327 T331 | H327-S329 PolarHBondContact O-N 3.19Å; S329-T331 VanDerWaalsContact C-N 3.33Å; S329-T331 PolarHBondContact O-N 3.34Å; S329-T331 PolarHBondContact O-OG1 3.38Å | ||
| 330 | L | 38.6 | Very low | 39.5 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -52.2 | 104.1 | 164.1 | -103.2 | 101.8 | 0 | 0 | 0 | 106.9 | P328 T332 | P328-L330 PolarHBondContact O-N 3.17Å; P328-L330 VanDerWaalsContact O-N 3.1Å; L330-T332 PolarHBondContact O-N 2.78Å | ||
| 331 | T | 36.1 | Very low | 38.8 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -80.6 | 98.2 | 171 | -35.2 | 0 | 0 | 0 | 0 | 105.4 | S329 K333 | S329-T331 VanDerWaalsContact C-N 3.33Å; S329-T331 PolarHBondContact O-N 3.34Å; S329-T331 PolarHBondContact O-OG1 3.38Å; T331-K333 PolarHBondContact O-N 3.18Å | ||
| 332 | T | 37.5 | Very low | 38.7 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -65.1 | 85.1 | 170.4 | -45.7 | 0 | 0 | 0 | 0 | 108.3 | L330 M334 | L330-T332 PolarHBondContact O-N 2.78Å; T332-M334 VanDerWaalsContact C-N 3.33Å; T332-M334 HydrophobicContact CG2-CG 4.5Å; T332-M334 PolarHBondContact O-N 3.06Å | ||
| 333 | K | 37 | Very low | 38.5 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -79 | 89 | 160.8 | -92.2 | -174.2 | 173 | -178.4 | 0 | 107.6 | T331 | T331-K333 PolarHBondContact O-N 3.18Š| ||
| 334 | M | 37.5 | Very low | 38.1 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -72.1 | 116.2 | 151.4 | -89.4 | 178.2 | 70.3 | 0 | 0 | 107.4 | T332 | T332-M334 VanDerWaalsContact C-N 3.33Å; T332-M334 HydrophobicContact CG2-CG 4.5Å; T332-M334 PolarHBondContact O-N 3.06Å | ||
| 335 | S | 37.2 | Very low | 38.2 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | -151.3 | 94.4 | 159.8 | 54.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 336 | S | 37.1 | Very low | 38.1 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | 32.5 | 110.4 | 142.7 | 57.5 | 0 | 0 | 0 | 0 | 118.7 | S338 | S336-S338 PolarHBondContact O-N 3.19Š| ||
| 337 | L | 36.3 | Very low | 38.4 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | trans | -54 | 115.8 | 149.2 | -82.1 | 134.3 | 0 | 0 | 0 | 109.8 | ||||
| 338 | S | 37.1 | Very low | 38.4 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -118.5 | 105.8 | 156.1 | 75.3 | 0 | 0 | 0 | 0 | 108.9 | S336 | S336-S338 PolarHBondContact O-N 3.19Š| ||
| 339 | Y | 32.5 | Very low | 38.3 | Very low | 211 Ų | 211 | 154.1 Ų | 154.1 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -66 | 125.5 | 167.3 | -171.5 | -96.1 | 0 | 0 | 0 | 108.9 | ||||
| 340 | R | 38 | Very low | 38.5 | Very low | 235 Ų | 235 | 157.4 Ų | 157.4 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -111.5 | 125 | 165.7 | -98.2 | -172.9 | -174.3 | 176.6 | 2.1 | 108.3 | ||||
| 341 | P | 39.9 | Very low | 38.5 | Very low | 94 Ų | 94 | 156.9 Ų | 156.9 | 61% | 0.61 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 161.7 | 171.2 | 32 | -30.8 | 0 | 0 | 0 | 111 | ||
| 342 | P | 45.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 133.2 | -177.7 | 32.3 | -30.4 | 0 | 0 | 0 | 110.8 | ||
| 343 | E | 45.8 | Very low | 38.7 | Very low | 199 Ų | 199 | 162.2 Ų | 162.2 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 133.8 | 166.3 | -82.7 | -178.7 | 165.2 | 0 | 0 | 110.6 | ||
| 344 | N | 37.5 | Very low | 38.9 | Very low | 144 Ų | 144 | 160.3 Ų | 160.3 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 145.8 | 179.1 | -77.1 | -40.3 | 0 | 0 | 0 | 112.5 | ||
| 345 | I | 41.6 | Very low | 39 | Very low | 149 Ų | 149 | 159 Ų | 159 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | trans | 38.3 | 111.8 | 130.7 | -50.2 | 170.2 | 0 | 0 | 0 | 117.4 | ||||
| 346 | Q | 39.6 | Very low | 39.1 | Very low | 263 Ų | 263 | 165 Ų | 165 | 100% | 1.229 | 84% | 0.842 | S | S | * | * | -156.4 | 0 | 111 | -131.5 | 166 | -3.1 | 0 | 0 | 112.1 |
Retrieved 346 of 346 residues in 160.3 ms
(Link to these results)