| 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 | 45 | Very low | 37.9 | Very low | 73 Ų | 73 | 98.7 Ų | 98.7 | 36% | 0.36 | 59% | 0.592 | S | S | . | * | 0 | 118 | 0 | -78.4 | -71 | 157.2 | 0 | 0 | 108.8 | W3 L4 F30 Y33 | M1-W3 PolarHBondContact O-N 3.43Å; M1-W3 VanDerWaalsContact O-N 3.1Å; M1-L4 HydrophobicContact CB-CB 3.73Å; M1-L4 HydrophobicContact CB-CD1 3.64Å; M1-L4 HydrophobicContact CB-CG 4.12Å; M1-L4 HydrophobicContact CG-CD1 3.61Å; M1-L4 HydrophobicContact SD-CD1 4.39Å; M1-F30 VanDerWaalsContact CE-CA 3.45Å; M1-F30 HydrophobicContact CE-CB 3.75Å; M1-F30 HydrophobicContact CE-CD2 3.18Å; M1-F30 HydrophobicContact CE-CE2 4.01Å; M1-F30 HydrophobicContact CE-CG 3.81Å; M1-Y33 HydrophobicContact CE-CD1 3.76Å; M1-Y33 HydrophobicContact CE-CD2 4.37Å; M1-Y33 HydrophobicContact CE-CG 3.67Å; M1-Y33 HydrophobicContact SD-CD2 4.39Å; M1-Y33 HydrophobicContact SD-CG 4.23Å | |||
| 2 | P | 39.8 | Very low | 37.4 | Very low | 83 Ų | 83 | 102.2 Ų | 102.2 | 54% | 0.539 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.9 | -22.9 | -174.4 | -20.4 | 31 | 0 | 0 | 0 | 113.6 | ||
| 3 | W | 47.5 | Very low | 37.2 | Very low | 33 Ų | 33 | 99.5 Ų | 99.5 | 13% | 0.125 | 62% | 0.62 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -113.6 | -10.5 | -169.6 | -37 | 109 | 0 | 0 | 0 | 114.7 | M1 R5 V75 F101 L151 H152 | M1-W3 PolarHBondContact O-N 3.43Å; M1-W3 VanDerWaalsContact O-N 3.1Å; W3-R5 PolarHBondContact O-N 2.93Å; W3-V75 HydrophobicContact CZ2-CG2 4.19Å; W3-F101 HydrophobicContact CB-CD1 4.48Å; W3-L151 HydrophobicContact CB-CD2 4.4Å; W3-L151 HydrophobicContact CD2-CD2 3.96Å; W3-L151 HydrophobicContact CE3-CB 4.04Å; W3-L151 HydrophobicContact CE3-CD2 3.39Å; W3-L151 HydrophobicContact CE3-CG 4.32Å; W3-L151 HydrophobicContact CG-CD2 4.41Å; W3-L151 HydrophobicContact CZ3-CB 3.69Å; W3-L151 HydrophobicContact CZ3-CD2 3.87Å; W3-L151 HydrophobicContact CZ3-CG 4.37Å; W3-L151 VanDerWaalsContact CZ3-O 3.26Å; W3-L151 WeakPolarHBondContact CZ3-O 3.38Å; W3-H152 AromaticContact CH2-CE1 3.3Å; W3-H152 WeakPolarHBondContact CH2-CE1 3.46Å; W3-H152 AromaticContact CH2-ND1 3.19Å; W3-H152 WeakPolarHBondContact CH2-ND1 3.31Å; W3-H152 AromaticContact CZ3-CE1 3.7Å; W3-H152 AromaticContact CZ3-ND1 3.27Å; W3-H152 VanDerWaalsContact CZ3-ND1 3.27Å; W3-H152 WeakPolarHBondContact CZ3-ND1 3.29Å |
| 4 | L | 44.3 | Very low | 36.8 | Very low | 68 Ų | 68 | 105.2 Ų | 105.2 | 36% | 0.356 | 64% | 0.636 | S | S | . | * | trans | -91.4 | 28.9 | 178.7 | -79.5 | 158.1 | 0 | 0 | 0 | 112.1 | M1 S6 A29 | M1-L4 HydrophobicContact CB-CB 3.73Å; M1-L4 HydrophobicContact CB-CD1 3.64Å; M1-L4 HydrophobicContact CB-CG 4.12Å; M1-L4 HydrophobicContact CG-CD1 3.61Å; M1-L4 HydrophobicContact SD-CD1 4.39Å; L4-S6 PolarHBondContact O-N 3.23Å; L4-S6 VanDerWaalsContact O-N 3.13Å; L4-A29 HydrophobicContact CD1-CB 4.42Å | ||
| 5 | R | 36.8 | Very low | 36.9 | Very low | 205 Ų | 205 | 107.1 Ų | 107.1 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | trans | -82.3 | 95.2 | 175 | -79 | -173 | 171.6 | -113.3 | 1.5 | 109.2 | W3 S7 | W3-R5 PolarHBondContact O-N 2.93Å; R5-S7 PolarHBondContact O-N 2.88Å | ||
| 6 | S | 38 | Very low | 37.1 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 60% | 0.601 | 66% | 0.664 | S | S | * | * | trans | -48.1 | 127.3 | 160.4 | -43 | 0 | 0 | 0 | 0 | 109.4 | L4 S8 | L4-S6 PolarHBondContact O-N 3.23Å; L4-S6 VanDerWaalsContact O-N 3.13Å; S6-S8 PolarHBondContact O-N 2.85Å; S6-S8 PolarHBondContact O-OG 2.84Å | ||
| 7 | S | 35.4 | Very low | 37.4 | Very low | 106 Ų | 106 | 109.8 Ų | 109.8 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | trans | -37.8 | 109.9 | 177.7 | -50.1 | 0 | 0 | 0 | 0 | 111.9 | R5 | R5-S7 PolarHBondContact O-N 2.88Š| ||
| 8 | S | 35.4 | Very low | 38.3 | Very low | 106 Ų | 106 | 106 Ų | 106 | 74% | 0.741 | 65% | 0.646 | S | S | * | * | trans | -124.2 | 86.2 | 175 | 14.9 | 0 | 0 | 0 | 0 | 108.9 | S6 | S6-S8 PolarHBondContact O-N 2.85Å; S6-S8 PolarHBondContact O-OG 2.84Å | ||
| 9 | S | 32.1 | Very low | 39.6 | Very low | 109 Ų | 109 | 103.1 Ų | 103.1 | 76% | 0.762 | 63% | 0.631 | S | S | * | * | trans | -136.9 | 83.9 | 163.9 | 61.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | S | 30.7 | Very low | 40.9 | Very low | 111 Ų | 111 | 103.3 Ų | 103.3 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 170.6 | 122.3 | 136.3 | 35.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 11 | S | 31.5 | Very low | 42 | Very low | 106 Ų | 106 | 101.9 Ų | 101.9 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | trans | 26.1 | 123.7 | 147.8 | 50.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 12 | T | 32 | Very low | 43 | Very low | 140 Ų | 140 | 101.5 Ų | 101.5 | 86% | 0.859 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 66.7 | 103.3 | 150.6 | 25 | 0 | 0 | 0 | 0 | 118.6 | ||
| 13 | G | 35.6 | Very low | 44.6 | Very low | 67 Ų | 67 | 105.2 Ų | 105.2 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | trans | 64.8 | 84.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 14 | Q | 31.3 | Very low | 45.8 | Very low | 180 Ų | 180 | 107.4 Ų | 107.4 | 84% | 0.841 | 64% | 0.64 | S | S | * | * | trans | -172.5 | 116.6 | 137.8 | -102.2 | 156.7 | 54.5 | 0 | 0 | 109.2 | L16 | Q14-L16 PolarHBondContact O-N 2.85Š| ||
| 15 | C | 37.6 | Very low | 47.2 | Very low | 133 Ų | 133 | 104.6 Ų | 104.6 | 90% | 0.899 | 63% | 0.626 | S | S | * | * | trans | -70.7 | 92.7 | 172.5 | -166.2 | 0 | 0 | 0 | 0 | 107.7 | S17 | C15-S17 PolarHBondContact O-N 3.5Š| ||
| 16 | L | 40.7 | Very low | 49.1 | Very low | 156 Ų | 156 | 99.1 Ų | 99.1 | 82% | 0.817 | 61% | 0.609 | S | S | * | * | trans | -65.9 | 100.1 | 169.1 | -73.2 | 165.8 | 0 | 0 | 0 | 107.2 | Q14 C18 | Q14-L16 PolarHBondContact O-N 2.85Å; L16-C18 PolarHBondContact O-N 2.84Å | ||
| 17 | S | 43 | Very low | 51.2 | Low | 105 Ų | 105 | 102.2 Ų | 102.2 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | trans | -53.3 | 111.4 | 174.7 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | C15 S19 | C15-S17 PolarHBondContact O-N 3.5Å; S17-S19 PolarHBondContact O-N 2.94Å | ||
| 18 | C | 52.7 | Low | 53.5 | Low | 41 Ų | 41 | 98 Ų | 98 | 28% | 0.277 | 58% | 0.577 | S | S | . | * | trans | -55.6 | 134 | 169.4 | -84.7 | 0 | 0 | 0 | 0 | 109.8 | L16 Q22 R23 | L16-C18 PolarHBondContact O-N 2.84Å; C18-Q22 HydrophobicContact CB-CB 4.32Å; C18-Q22 HydrophobicContact CB-CG 4.4Å; C18-Q22 PolarHBondContact SG-NE2 3.01Å; C18-Q22 VanDerWaalsContact SG-NE2 3.39Å; C18-Q22 PolarHBondContact SG-OE1 3.35Å; C18-Q22 VanDerWaalsContact SG-OE1 3.37Å; C18-R23 HydrophobicContact CB-CG 4.25Å | ||
| 19 | S | 64.1 | Low | 55.8 | Low | 51 Ų | 51 | 93 Ų | 93 | 36% | 0.357 | 54% | 0.542 | S | S | . | . | trans | -60.8 | 150.7 | 173.9 | 70.6 | 0 | 0 | 0 | 0 | 110.2 | S17 C21 Q22 R23 | S17-S19 PolarHBondContact O-N 2.94Å; S19-C21 PolarHBondContact O-N 2.89Å; S19-C21 VanDerWaalsContact O-N 3.12Å; S19-Q22 WeakPolarHBondContact O-CB 3.45Å; S19-Q22 PolarHBondContact O-N 3.28Å; S19-Q22 PolarHBondContact OG-N 3.05Å; S19-R23 PolarHBondContact O-N 3.24Å | ||
| 20 | P | 64.8 | Low | 58.3 | Low | 107 Ų | 107 | 93.1 Ų | 93.1 | 70% | 0.695 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -51.9 | -35.6 | 177.7 | -28.3 | 35.1 | 0 | 0 | 0 | 113.4 | Q22 R23 E24 | P20-Q22 VanDerWaalsContact C-N 3.35Å; P20-Q22 PolarHBondContact O-N 3.24Å; P20-R23 PolarHBondContact O-N 3.36Å; P20-E24 PolarHBondContact O-N 3.47Å; P20-E24 VanDerWaalsContact O-N 3.17Å |
| 21 | C | 63.4 | Low | 61.2 | Low | 73 Ų | 73 | 90.2 Ų | 90.2 | 49% | 0.493 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.3 | -24.6 | -179.9 | -47.4 | 0 | 0 | 0 | 0 | 113.3 | S19 C25 W56 | S19-C21 PolarHBondContact O-N 2.89Å; S19-C21 VanDerWaalsContact O-N 3.12Å; C21-C25 PolarHBondContact O-N 3.35Å; C21-C25 PolarHBondContact O-SG 2.98Å; C21-W56 HydrophobicContact CB-CH2 4.1Å; C21-W56 HydrophobicContact CB-CZ2 3.38Å; C21-W56 PolarHBondContact O-NE1 3.24Å; C21-W56 VanDerWaalsContact O-NE1 3.09Å |
| 22 | Q | 67.4 | Low | 64 | Low | 65 Ų | 65 | 85.1 Ų | 85.1 | 30% | 0.304 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 172.1 | -173.8 | 174.4 | -4.7 | 0 | 0 | 111.3 | C18 S19 P20 E24 C25 E26 | C18-Q22 HydrophobicContact CB-CB 4.32Å; C18-Q22 HydrophobicContact CB-CG 4.4Å; C18-Q22 PolarHBondContact SG-NE2 3.01Å; C18-Q22 VanDerWaalsContact SG-NE2 3.39Å; C18-Q22 PolarHBondContact SG-OE1 3.35Å; C18-Q22 VanDerWaalsContact SG-OE1 3.37Å; S19-Q22 WeakPolarHBondContact O-CB 3.45Å; S19-Q22 PolarHBondContact O-N 3.28Å; S19-Q22 PolarHBondContact OG-N 3.05Å; P20-Q22 VanDerWaalsContact C-N 3.35Å; P20-Q22 PolarHBondContact O-N 3.24Å; Q22-E24 VanDerWaalsContact C-N 3.3Å; Q22-E24 PolarHBondContact O-N 2.64Å; Q22-C25 PolarHBondContact O-N 3.35Å; Q22-E26 PolarHBondContact O-N 3.2Å; Q22-E26 VanDerWaalsContact O-N 3.09Å |
| 23 | R | 72.2 | Confident | 66.8 | Low | 162 Ų | 162 | 80.7 Ų | 80.7 | 61% | 0.611 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.6 | -36.4 | 175.4 | -67.1 | -178 | 176.6 | 169.7 | 0.1 | 112.5 | C18 S19 P20 E26 R27 | C18-R23 HydrophobicContact CB-CG 4.25Å; S19-R23 PolarHBondContact O-N 3.24Å; P20-R23 PolarHBondContact O-N 3.36Å; R23-E26 PolarHBondContact O-N 3.41Å; R23-R27 PolarHBondContact O-N 2.83Å; R23-R27 VanDerWaalsContact O-N 3.09Å |
| 24 | E | 72.6 | Confident | 69.6 | Low | 79 Ų | 79 | 78.3 Ų | 78.3 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.9 | -170.5 | 56.9 | -137.2 | 0 | 0 | 111.6 | P20 Q22 E26 R27 T28 | P20-E24 PolarHBondContact O-N 3.47Å; P20-E24 VanDerWaalsContact O-N 3.17Å; Q22-E24 VanDerWaalsContact C-N 3.3Å; Q22-E24 PolarHBondContact O-N 2.64Å; E24-E26 PolarHBondContact O-N 3.29Å; E24-R27 WeakPolarHBondContact O-CB 3.33Å; E24-R27 PolarHBondContact O-N 3.21Å; E24-R27 VanDerWaalsContact O-N 3.16Å; E24-R27 IonicContact OE1-CZ 3.24Å; E24-R27 IonicContact OE1-NE 3.44Å; E24-R27 PolarHBondContact OE1-NE 3.15Å; E24-R27 VanDerWaalsContact OE1-NE 3.1Å; E24-R27 IonicContact OE1-NH2 2.98Å; E24-R27 PolarHBondContact OE1-NH2 3.16Å; E24-R27 IonicContact OE2-CZ 2.83Å; E24-R27 VanDerWaalsContact OE2-CZ 3.24Å; E24-R27 IonicContact OE2-NE 2.65Å; E24-R27 PolarHBondContact OE2-NE 2.96Å; E24-R27 IonicContact OE2-NH2 3.06Å; E24-R27 PolarHBondContact OE2-NH2 3.35Å; E24-T28 PolarHBondContact O-N 3.24Å; E24-T28 PolarHBondContact O-OG1 3.46Å; E24-T28 VanDerWaalsContact O-OG1 3.14Å |
| 25 | C | 74.2 | Confident | 72.7 | Confident | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.054 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.3 | -36 | 176.6 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | C21 Q22 R27 T28 A29 V53 W56 | C21-C25 PolarHBondContact O-N 3.35Å; C21-C25 PolarHBondContact O-SG 2.98Å; Q22-C25 PolarHBondContact O-N 3.35Å; C25-R27 VanDerWaalsContact C-N 3.29Å; C25-R27 PolarHBondContact O-N 3.35Å; C25-T28 WeakPolarHBondContact CA-OG1 3.46Å; C25-T28 PolarHBondContact O-OG1 3.5Å; C25-A29 WeakPolarHBondContact O-CB 3.4Å; C25-A29 PolarHBondContact O-N 3.43Å; C25-V53 WeakPolarHBondContact SG-CG1 3.48Å; C25-W56 PolarHBondContact SG-NE1 2.9Å |
| 26 | E | 76.6 | Confident | 75.5 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -37 | 173.2 | -71.6 | 174.4 | -178.9 | 0 | 0 | 111.7 | Q22 R23 E24 F30 | Q22-E26 PolarHBondContact O-N 3.2Å; Q22-E26 VanDerWaalsContact O-N 3.09Å; R23-E26 PolarHBondContact O-N 3.41Å; E24-E26 PolarHBondContact O-N 3.29Å; E26-F30 VanDerWaalsContact O-CB 3.25Å; E26-F30 WeakPolarHBondContact O-CB 3.35Å; E26-F30 PolarHBondContact O-N 3.4Å |
| 27 | R | 82.2 | Confident | 78.1 | Confident | 152 Ų | 152 | 61.7 Ų | 61.7 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.7 | -47.4 | 179.9 | -175.6 | 177 | 74.2 | 166.1 | 6.8 | 112.4 | R23 E24 C25 F30 S31 | R23-R27 PolarHBondContact O-N 2.83Å; R23-R27 VanDerWaalsContact O-N 3.09Å; E24-R27 WeakPolarHBondContact O-CB 3.33Å; E24-R27 PolarHBondContact O-N 3.21Å; E24-R27 VanDerWaalsContact O-N 3.16Å; E24-R27 IonicContact OE1-CZ 3.24Å; E24-R27 IonicContact OE1-NE 3.44Å; E24-R27 PolarHBondContact OE1-NE 3.15Å; E24-R27 VanDerWaalsContact OE1-NE 3.1Å; E24-R27 IonicContact OE1-NH2 2.98Å; E24-R27 PolarHBondContact OE1-NH2 3.16Å; E24-R27 IonicContact OE2-CZ 2.83Å; E24-R27 VanDerWaalsContact OE2-CZ 3.24Å; E24-R27 IonicContact OE2-NE 2.65Å; E24-R27 PolarHBondContact OE2-NE 2.96Å; E24-R27 IonicContact OE2-NH2 3.06Å; E24-R27 PolarHBondContact OE2-NH2 3.35Å; C25-R27 VanDerWaalsContact C-N 3.29Å; C25-R27 PolarHBondContact O-N 3.35Å; R27-F30 PolarHBondContact O-N 2.93Å; R27-S31 PolarHBondContact O-N 3.24Å; R27-S31 PolarHBondContact O-OG 3.04Å |
| 28 | T | 82.9 | Confident | 80.7 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 175 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | E24 C25 F30 S31 F32 E52 V53 F54 | E24-T28 PolarHBondContact O-N 3.24Å; E24-T28 PolarHBondContact O-OG1 3.46Å; E24-T28 VanDerWaalsContact O-OG1 3.14Å; C25-T28 WeakPolarHBondContact CA-OG1 3.46Å; C25-T28 PolarHBondContact O-OG1 3.5Å; T28-F30 VanDerWaalsContact C-N 3.25Å; T28-F30 PolarHBondContact O-N 3.13Å; T28-S31 WeakPolarHBondContact O-CA 3.48Å; T28-S31 WeakPolarHBondContact O-CB 3.49Å; T28-S31 PolarHBondContact O-N 3.05Å; T28-F32 PolarHBondContact O-N 3.14Å; T28-E52 VanDerWaalsContact CB-OE2 3.28Å; T28-E52 WeakPolarHBondContact CB-OE2 3.42Å; T28-E52 HydrophobicContact CG2-CB 4.27Å; T28-E52 HydrophobicContact CG2-CG 4.39Å; T28-V53 WeakPolarHBondContact CB-O 3.38Å; T28-V53 PolarHBondContact OG1-O 3.24Å; T28-F54 WeakPolarHBondContact O-CE1 3.41Å |
| 29 | A | 83.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L4 C25 Y33 F54 F64 | L4-A29 HydrophobicContact CD1-CB 4.42Å; C25-A29 WeakPolarHBondContact O-CB 3.4Å; C25-A29 PolarHBondContact O-N 3.43Å; A29-Y33 WeakPolarHBondContact O-CB 3.46Å; A29-Y33 PolarHBondContact O-N 3.31Å; A29-F54 HydrophobicContact CB-CD1 4.32Å; A29-F64 HydrophobicContact CB-CE2 4.26Å; A29-F64 HydrophobicContact CB-CZ 3.92Å |
| 30 | F | 86.1 | Confident | 84.5 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 172.6 | -175 | -88.8 | 0 | 0 | 0 | 112.9 | M1 E26 R27 T28 Y33 C34 | M1-F30 VanDerWaalsContact CE-CA 3.45Å; M1-F30 HydrophobicContact CE-CB 3.75Å; M1-F30 HydrophobicContact CE-CD2 3.18Å; M1-F30 HydrophobicContact CE-CE2 4.01Å; M1-F30 HydrophobicContact CE-CG 3.81Å; E26-F30 VanDerWaalsContact O-CB 3.25Å; E26-F30 WeakPolarHBondContact O-CB 3.35Å; E26-F30 PolarHBondContact O-N 3.4Å; R27-F30 PolarHBondContact O-N 2.93Å; T28-F30 VanDerWaalsContact C-N 3.25Å; T28-F30 PolarHBondContact O-N 3.13Å; F30-Y33 WeakPolarHBondContact O-CB 3.38Å; F30-Y33 PolarHBondContact O-N 2.9Å; F30-C34 WeakPolarHBondContact CE1-SG 3.45Å; F30-C34 PolarHBondContact O-N 3.22Å; F30-C34 PolarHBondContact O-SG 2.88Å; F30-C34 VanDerWaalsContact O-SG 3.38Å |
| 31 | S | 90.3 | Very high | 86.1 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | R27 T28 Y33 C34 A35 | R27-S31 PolarHBondContact O-N 3.24Å; R27-S31 PolarHBondContact O-OG 3.04Å; T28-S31 WeakPolarHBondContact O-CA 3.48Å; T28-S31 WeakPolarHBondContact O-CB 3.49Å; T28-S31 PolarHBondContact O-N 3.05Å; S31-Y33 PolarHBondContact O-N 2.9Å; S31-C34 PolarHBondContact O-N 3.48Å; S31-A35 WeakPolarHBondContact O-CB 3.46Å; S31-A35 PolarHBondContact O-N 2.63Å |
| 32 | F | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 174.3 | -178.1 | -99.1 | 0 | 0 | 0 | 112.5 | T28 C34 A35 V36 M48 R49 F54 F64 A69 Y72 Y81 | T28-F32 PolarHBondContact O-N 3.14Å; F32-C34 VanDerWaalsContact C-N 3.34Å; F32-C34 PolarHBondContact O-N 3.27Å; F32-A35 PolarHBondContact O-N 2.8Å; F32-V36 HydrophobicContact CD1-CG2 4.16Å; F32-V36 HydrophobicContact CE1-CG2 3.76Å; F32-V36 HydrophobicContact CE2-CG2 4.22Å; F32-V36 HydrophobicContact CZ-CG2 3.79Å; F32-V36 WeakPolarHBondContact O-CG2 3.27Å; F32-V36 PolarHBondContact O-N 3.17Å; F32-M48 HydrophobicContact CD2-CB 4.12Å; F32-R49 HydrophobicContact CE2-CB 3.86Å; F32-R49 HydrophobicContact CE2-CG 4.33Å; F32-R49 HydrophobicContact CZ-CB 4.36Å; F32-R49 HydrophobicContact CZ-CG 4.37Å; F32-F54 HydrophobicContact CB-CD1 4.19Å; F32-F54 HydrophobicContact CB-CE1 3.48Å; F32-F54 VanDerWaalsContact CB-CE1 3.48Å; F32-F54 HydrophobicContact CB-CZ 3.97Å; F32-F54 HydrophobicContact CD2-CZ 4.14Å; F32-F54 HydrophobicContact CG-CE1 4.14Å; F32-F54 HydrophobicContact CG-CZ 4.21Å; F32-F64 AromaticContact CD1-CD2 3.75Å; F32-F64 HydrophobicContact CD1-CD2 3.75Å; F32-F64 AromaticContact CD1-CE2 3.83Å; F32-F64 HydrophobicContact CD1-CE2 3.83Å; F32-F64 AromaticContact CE1-CD2 4Å; F32-F64 HydrophobicContact CE1-CD2 4Å; F32-F64 HydrophobicContact CE1-CE2 4.42Å; F32-F64 HydrophobicContact CG-CD2 4.32Å; F32-F64 HydrophobicContact CG-CE2 4.46Å; F32-A69 HydrophobicContact CE1-CB 4.3Å; F32-A69 HydrophobicContact CZ-CB 3.95Å; F32-Y72 HydrophobicContact CD1-CD2 4.47Å; F32-Y72 HydrophobicContact CE1-CD2 4.12Å; F32-Y72 HydrophobicContact CE1-CG 4.38Å; F32-Y81 AromaticContact CZ-CE1 3.89Å; F32-Y81 HydrophobicContact CZ-CE1 3.89Å |
| 33 | Y | 90.9 | Very high | 89.1 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 18% | 0.18 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 173.6 | 166.4 | -92.2 | 0 | 0 | 0 | 112.2 | M1 A29 F30 S31 V36 R37 Y72 H76 | M1-Y33 HydrophobicContact CE-CD1 3.76Å; M1-Y33 HydrophobicContact CE-CD2 4.37Å; M1-Y33 HydrophobicContact CE-CG 3.67Å; M1-Y33 HydrophobicContact SD-CD2 4.39Å; M1-Y33 HydrophobicContact SD-CG 4.23Å; A29-Y33 WeakPolarHBondContact O-CB 3.46Å; A29-Y33 PolarHBondContact O-N 3.31Å; F30-Y33 WeakPolarHBondContact O-CB 3.38Å; F30-Y33 PolarHBondContact O-N 2.9Å; S31-Y33 PolarHBondContact O-N 2.9Å; Y33-V36 PolarHBondContact O-N 2.91Å; Y33-R37 WeakPolarHBondContact O-CB 3.43Å; Y33-R37 PolarHBondContact O-N 3.21Å; Y33-Y72 AromaticContact CD2-CD1 3.76Å; Y33-Y72 HydrophobicContact CD2-CD1 3.76Å; Y33-Y72 AromaticContact CD2-CE1 3.71Å; Y33-Y72 HydrophobicContact CD2-CE1 3.71Å; Y33-Y72 HydrophobicContact CG-CE1 4.38Å; Y33-H76 AromaticContact CD2-NE2 3.61Å; Y33-H76 AromaticContact CE2-CE1 3.66Å; Y33-H76 AromaticContact CE2-NE2 3.05Å; Y33-H76 WeakPolarHBondContact CE2-NE2 3.43Å; Y33-H76 AromaticContact CZ-CE1 3.81Å; Y33-H76 AromaticContact CZ-NE2 3.64Å |
| 34 | C | 94.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 12% | 0.122 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 177.4 | -72.5 | 0 | 0 | 0 | 0 | 111.3 | F30 S31 F32 V36 R37 E38 | F30-C34 WeakPolarHBondContact CE1-SG 3.45Å; F30-C34 PolarHBondContact O-N 3.22Å; F30-C34 PolarHBondContact O-SG 2.88Å; F30-C34 VanDerWaalsContact O-SG 3.38Å; S31-C34 PolarHBondContact O-N 3.48Å; F32-C34 VanDerWaalsContact C-N 3.34Å; F32-C34 PolarHBondContact O-N 3.27Å; C34-V36 PolarHBondContact O-N 2.85Å; C34-R37 PolarHBondContact O-N 2.86Å; C34-E38 VanDerWaalsContact O-CB 3.31Å; C34-E38 WeakPolarHBondContact O-CB 3.44Å; C34-E38 VanDerWaalsContact O-CG 3.32Å; C34-E38 WeakPolarHBondContact O-CG 3.48Å; C34-E38 PolarHBondContact O-N 3.36Å |
| 35 | A | 96.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S31 F32 E38 Q39 L40 L45 M48 | S31-A35 WeakPolarHBondContact O-CB 3.46Å; S31-A35 PolarHBondContact O-N 2.63Å; F32-A35 PolarHBondContact O-N 2.8Å; A35-E38 PolarHBondContact O-N 3.48Å; A35-Q39 PolarHBondContact O-N 2.69Å; A35-L40 HydrophobicContact CB-CD1 3.65Å; A35-L40 HydrophobicContact CB-CG 4.21Å; A35-L40 WeakPolarHBondContact O-CG 3.2Å; A35-L40 PolarHBondContact O-N 3.35Å; A35-L40 VanDerWaalsContact O-N 3.08Å; A35-L45 HydrophobicContact CB-CD2 3.62Å; A35-M48 HydrophobicContact CB-CE 3.96Å; A35-M48 HydrophobicContact CB-SD 3.69Å |
| 36 | V | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 176.2 | 176.5 | 0 | 0 | 0 | 0 | 111 | F32 Y33 C34 E38 Q39 L45 H76 H78 Y81 | F32-V36 HydrophobicContact CD1-CG2 4.16Å; F32-V36 HydrophobicContact CE1-CG2 3.76Å; F32-V36 HydrophobicContact CE2-CG2 4.22Å; F32-V36 HydrophobicContact CZ-CG2 3.79Å; F32-V36 WeakPolarHBondContact O-CG2 3.27Å; F32-V36 PolarHBondContact O-N 3.17Å; Y33-V36 PolarHBondContact O-N 2.91Å; C34-V36 PolarHBondContact O-N 2.85Å; V36-E38 VanDerWaalsContact C-N 3.29Å; V36-E38 PolarHBondContact O-N 3.34Å; V36-Q39 PolarHBondContact O-N 3.19Å; V36-Q39 VanDerWaalsContact O-N 3.08Å; V36-L45 HydrophobicContact CG2-CD1 4.3Å; V36-L45 HydrophobicContact CG2-CD2 3.88Å; V36-H76 HydrophobicContact CG1-CB 4.31Å; V36-H78 HydrophobicContact CG1-CB 4.32Å; V36-Y81 HydrophobicContact CG2-CD1 4.34Å; V36-Y81 HydrophobicContact CG2-CE1 4.19Å |
| 37 | R | 96 | Very high | 93.2 | Very high | 115 Ų | 115 | 57.7 Ų | 57.7 | 43% | 0.434 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 177.5 | -179 | -172.2 | 67.8 | -178.7 | -3.4 | 112.3 | Y33 C34 Q39 | Y33-R37 WeakPolarHBondContact O-CB 3.43Å; Y33-R37 PolarHBondContact O-N 3.21Å; C34-R37 PolarHBondContact O-N 2.86Å; R37-Q39 PolarHBondContact O-N 2.94Å |
| 38 | E | 97.4 | Very high | 93.7 | Very high | 115 Ų | 115 | 51.7 Ų | 51.7 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 4.9 | 177.5 | -72.1 | 164.5 | -158.8 | 0 | 0 | 112.8 | C34 A35 V36 L40 | C34-E38 VanDerWaalsContact O-CB 3.31Å; C34-E38 WeakPolarHBondContact O-CB 3.44Å; C34-E38 VanDerWaalsContact O-CG 3.32Å; C34-E38 WeakPolarHBondContact O-CG 3.48Å; C34-E38 PolarHBondContact O-N 3.36Å; A35-E38 PolarHBondContact O-N 3.48Å; V36-E38 VanDerWaalsContact C-N 3.29Å; V36-E38 PolarHBondContact O-N 3.34Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 HydrophobicContact CB-CD2 4.46Å; E38-L40 HydrophobicContact CB-CG 4.47Å; E38-L40 PolarHBondContact O-N 3.16Å |
| 39 | Q | 97.3 | Very high | 94.1 | Very high | 115 Ų | 115 | 52 Ų | 52 | 54% | 0.537 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40 | 179 | -59.4 | -165.9 | 3.4 | 0 | 0 | 114 | A35 V36 R37 H78 | A35-Q39 PolarHBondContact O-N 2.69Å; V36-Q39 PolarHBondContact O-N 3.19Å; V36-Q39 VanDerWaalsContact O-N 3.08Å; R37-Q39 PolarHBondContact O-N 2.94Å; Q39-H78 VanDerWaalsContact CA-CD2 3.49Å; Q39-H78 WeakPolarHBondContact CA-CD2 3.49Å; Q39-H78 WeakPolarHBondContact CA-NE2 3.39Å |
| 40 | L | 97.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | trans | -59 | 154.9 | 176.2 | -62.9 | -169.9 | 0 | 0 | 0 | 111.6 | A35 E38 L44 L45 H78 | A35-L40 HydrophobicContact CB-CD1 3.65Å; A35-L40 HydrophobicContact CB-CG 4.21Å; A35-L40 WeakPolarHBondContact O-CG 3.2Å; A35-L40 PolarHBondContact O-N 3.35Å; A35-L40 VanDerWaalsContact O-N 3.08Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 HydrophobicContact CB-CD2 4.46Å; E38-L40 HydrophobicContact CB-CG 4.47Å; E38-L40 PolarHBondContact O-N 3.16Å; L40-L44 HydrophobicContact CB-CD2 4.34Å; L40-L44 HydrophobicContact CD1-CD2 3.74Å; L40-L45 HydrophobicContact CB-CD2 4.2Å; L40-L45 HydrophobicContact CB-CG 4.41Å; L40-L45 VanDerWaalsContact O-CD1 3.29Å; L40-L45 WeakPolarHBondContact O-CD1 3.15Å; L40-H78 PolarHBondContact O-NE2 3.48Å | ||
| 41 | P | 97.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 40% | 0.403 | 28% | 0.278 | S | S | . | . | trans | -58.8 | 146.9 | -177.9 | -26.2 | 35.6 | 0 | 0 | 0 | 113.3 | W43 L44 L45 | P41-W43 VanDerWaalsContact C-N 3.26Å; P41-W43 HydrophobicContact CB-CG 4.38Å; P41-W43 VanDerWaalsContact CB-NE1 3.27Å; P41-W43 PolarHBondContact O-N 3.31Å; P41-W43 VanDerWaalsContact O-N 3.15Å; P41-L44 PolarHBondContact O-N 3.38Å; P41-L45 PolarHBondContact O-N 3.04Å; P41-L45 VanDerWaalsContact O-N 3.14Å | ||
| 42 | V | 97.6 | Very high | 93.2 | Very high | 32 Ų | 32 | 57 Ų | 57 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -51.8 | -41.1 | -177.1 | 173.3 | 0 | 0 | 0 | 0 | 113.4 | L44 L45 E46 D80 Y81 Y84 | V42-L44 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 3.45Å; V42-L45 PolarHBondContact O-N 3.25Å; V42-E46 PolarHBondContact O-N 3.11Å; V42-D80 HydrophobicContact CG2-CB 4.21Å; V42-Y81 HydrophobicContact CG1-CD2 4.23Å; V42-Y81 HydrophobicContact CG2-CD2 4.41Å; V42-Y84 HydrophobicContact CG1-CD1 3.66Å; V42-Y84 HydrophobicContact CG1-CD2 3.48Å; V42-Y84 VanDerWaalsContact CG1-CD2 3.48Å; V42-Y84 HydrophobicContact CG1-CE1 4.22Å; V42-Y84 HydrophobicContact CG1-CE2 4.02Å; V42-Y84 HydrophobicContact CG1-CG 3.26Å |
| 43 | W | 96.4 | Very high | 92 | Very high | 172 Ų | 172 | 59.7 Ų | 59.7 | 65% | 0.652 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | -178.7 | 61.6 | -97.5 | 0 | 0 | 0 | 112.1 | P41 E46 E47 | P41-W43 VanDerWaalsContact C-N 3.26Å; P41-W43 HydrophobicContact CB-CG 4.38Å; P41-W43 VanDerWaalsContact CB-NE1 3.27Å; P41-W43 PolarHBondContact O-N 3.31Å; P41-W43 VanDerWaalsContact O-N 3.15Å; W43-E46 PolarHBondContact O-N 3.02Å; W43-E47 WeakPolarHBondContact O-CB 3.4Å; W43-E47 PolarHBondContact O-N 2.88Å |
| 44 | L | 96.4 | Very high | 90.7 | Very high | 47 Ų | 47 | 57.7 Ų | 57.7 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.6 | -40.4 | 179.6 | -178.6 | 58.9 | 0 | 0 | 0 | 110.7 | L40 P41 V42 E46 E47 M48 | L40-L44 HydrophobicContact CB-CD2 4.34Å; L40-L44 HydrophobicContact CD1-CD2 3.74Å; P41-L44 PolarHBondContact O-N 3.38Å; V42-L44 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 3.45Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 3.31Å; L44-E47 PolarHBondContact O-N 2.84Å; L44-M48 HydrophobicContact CG-SD 4.46Å; L44-M48 VanDerWaalsContact O-CG 3.31Å; L44-M48 WeakPolarHBondContact O-CG 2.8Å; L44-M48 PolarHBondContact O-N 3.44Å |
| 45 | L | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 175.5 | -66 | 178.4 | 0 | 0 | 0 | 111.8 | A35 V36 L40 P41 V42 R49 Y81 | A35-L45 HydrophobicContact CB-CD2 3.62Å; V36-L45 HydrophobicContact CG2-CD1 4.3Å; V36-L45 HydrophobicContact CG2-CD2 3.88Å; L40-L45 HydrophobicContact CB-CD2 4.2Å; L40-L45 HydrophobicContact CB-CG 4.41Å; L40-L45 VanDerWaalsContact O-CD1 3.29Å; L40-L45 WeakPolarHBondContact O-CD1 3.15Å; P41-L45 PolarHBondContact O-N 3.04Å; P41-L45 VanDerWaalsContact O-N 3.14Å; V42-L45 PolarHBondContact O-N 3.25Å; L45-R49 VanDerWaalsContact O-CB 3.24Å; L45-R49 WeakPolarHBondContact O-CB 3.32Å; L45-R49 PolarHBondContact O-N 2.89Å; L45-Y81 HydrophobicContact CB-CD2 4.25Å; L45-Y81 HydrophobicContact CB-CE1 4.19Å; L45-Y81 HydrophobicContact CB-CE2 3.91Å; L45-Y81 HydrophobicContact CD1-CD1 3.66Å; L45-Y81 HydrophobicContact CD1-CD2 4.07Å; L45-Y81 HydrophobicContact CD1-CE1 4.07Å; L45-Y81 HydrophobicContact CD1-CE2 4.46Å; L45-Y81 HydrophobicContact CD1-CG 3.67Å |
| 46 | E | 95.9 | Very high | 87.7 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.8 | -33.4 | 176.3 | -74.6 | -64 | 98.2 | 0 | 0 | 113.4 | V42 W43 L44 R49 S50 Y81 Y84 Y89 | V42-E46 PolarHBondContact O-N 3.11Å; W43-E46 PolarHBondContact O-N 3.02Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 3.31Å; E46-R49 PolarHBondContact O-N 3.24Å; E46-R49 IonicContact OE1-CZ 3.93Å; E46-R49 IonicContact OE1-NE 2.74Å; E46-R49 PolarHBondContact OE1-NE 3.18Å; E46-R49 IonicContact OE1-NH2 2.67Å; E46-R49 IonicContact OE2-CZ 2.74Å; E46-R49 IonicContact OE2-NE 3.96Å; E46-R49 PolarHBondContact OE2-NE 2.85Å; E46-R49 IonicContact OE2-NH2 3.03Å; E46-R49 PolarHBondContact OE2-NH2 3.12Å; E46-S50 VanDerWaalsContact O-CB 3.28Å; E46-S50 WeakPolarHBondContact O-CB 3.38Å; E46-S50 PolarHBondContact O-N 2.97Å; E46-S50 PolarHBondContact O-OG 2.91Å; E46-Y81 HydrophobicContact CG-CE2 4.06Å; E46-Y81 VanDerWaalsContact OE1-CE2 3.26Å; E46-Y81 WeakPolarHBondContact OE1-CE2 3.33Å; E46-Y81 PolarHBondContact OE1-OH 3.04Å; E46-Y84 HydrophobicContact CG-CD1 4.05Å; E46-Y84 HydrophobicContact CG-CE1 3.31Å; E46-Y84 WeakPolarHBondContact OE2-CE1 2.99Å; E46-Y89 PolarHBondContact OE2-OH 3.34Å |
| 47 | E | 93.4 | Very high | 86.3 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -53.6 | 170.9 | -173.4 | 173.3 | -161 | 0 | 0 | 110 | W43 L44 R49 S50 M51 | W43-E47 WeakPolarHBondContact O-CB 3.4Å; W43-E47 PolarHBondContact O-N 2.88Å; L44-E47 PolarHBondContact O-N 2.84Å; E47-R49 PolarHBondContact O-N 3.34Å; E47-S50 PolarHBondContact O-N 3.41Å; E47-S50 PolarHBondContact O-OG 2.9Å; E47-M51 HydrophobicContact CG-CE 3.77Å; E47-M51 HydrophobicContact CG-CG 4.4Å; E47-M51 HydrophobicContact CG-SD 3.66Å; E47-M51 WeakPolarHBondContact O-CB 3.45Å; E47-M51 WeakPolarHBondContact O-CG 3.48Å; E47-M51 PolarHBondContact O-N 3.43Å |
| 48 | M | 92.2 | Very high | 84.8 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.2 | -52.8 | 174.6 | -67.1 | 177.1 | 76.5 | 0 | 0 | 110.8 | F32 A35 L44 S50 M51 E52 F54 | F32-M48 HydrophobicContact CD2-CB 4.12Å; A35-M48 HydrophobicContact CB-CE 3.96Å; A35-M48 HydrophobicContact CB-SD 3.69Å; L44-M48 HydrophobicContact CG-SD 4.46Å; L44-M48 VanDerWaalsContact O-CG 3.31Å; L44-M48 WeakPolarHBondContact O-CG 2.8Å; L44-M48 PolarHBondContact O-N 3.44Å; M48-S50 PolarHBondContact O-N 3.3Å; M48-M51 PolarHBondContact O-N 3.05Å; M48-E52 WeakPolarHBondContact O-CB 3.48Å; M48-E52 PolarHBondContact O-N 3.2Å; M48-F54 WeakPolarHBondContact O-CE2 3.22Å; M48-F54 WeakPolarHBondContact O-CZ 3.24Å |
| 49 | R | 91.9 | Very high | 83.3 | Confident | 23 Ų | 23 | 62 Ų | 62 | 9% | 0.087 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.4 | -35.7 | -176.9 | -165.2 | -171.5 | 58.5 | 69.7 | 6.8 | 112.8 | F32 L45 E46 E47 F54 A63 F64 A69 Y81 Y89 | F32-R49 HydrophobicContact CE2-CB 3.86Å; F32-R49 HydrophobicContact CE2-CG 4.33Å; F32-R49 HydrophobicContact CZ-CB 4.36Å; F32-R49 HydrophobicContact CZ-CG 4.37Å; L45-R49 VanDerWaalsContact O-CB 3.24Å; L45-R49 WeakPolarHBondContact O-CB 3.32Å; L45-R49 PolarHBondContact O-N 2.89Å; E46-R49 PolarHBondContact O-N 3.24Å; E46-R49 IonicContact OE1-CZ 3.93Å; E46-R49 IonicContact OE1-NE 2.74Å; E46-R49 PolarHBondContact OE1-NE 3.18Å; E46-R49 IonicContact OE1-NH2 2.67Å; E46-R49 IonicContact OE2-CZ 2.74Å; E46-R49 IonicContact OE2-NE 3.96Å; E46-R49 PolarHBondContact OE2-NE 2.85Å; E46-R49 IonicContact OE2-NH2 3.03Å; E46-R49 PolarHBondContact OE2-NH2 3.12Å; E47-R49 PolarHBondContact O-N 3.34Å; R49-F54 VanDerWaalsContact CA-CE2 3.48Å; R49-F54 WeakPolarHBondContact O-CE2 3.45Å; R49-A63 VanDerWaalsContact O-CB 3.29Å; R49-A63 WeakPolarHBondContact O-CB 3.34Å; R49-F64 HydrophobicContact CG-CB 3.97Å; R49-F64 WeakPolarHBondContact CG-O 3.48Å; R49-F64 PolarHBondContact NH1-O 3.36Å; R49-A69 VanDerWaalsContact CD-CB 3.49Å; R49-A69 HydrophobicContact CG-CB 4.44Å; R49-Y81 WeakPolarHBondContact CD-OH 3.4Å; R49-Y89 PolarHBondContact NH2-OH 3.3Å |
| 50 | S | 86.1 | Confident | 81.9 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -91.4 | -28 | -174.6 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | E46 E47 M48 | E46-S50 VanDerWaalsContact O-CB 3.28Å; E46-S50 WeakPolarHBondContact O-CB 3.38Å; E46-S50 PolarHBondContact O-N 2.97Å; E46-S50 PolarHBondContact O-OG 2.91Å; E47-S50 PolarHBondContact O-N 3.41Å; E47-S50 PolarHBondContact O-OG 2.9Å; M48-S50 PolarHBondContact O-N 3.3Å |
| 51 | M | 78.6 | Confident | 80.8 | Confident | 138 Ų | 138 | 60.5 Ų | 60.5 | 68% | 0.68 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -96.2 | -28.2 | -175.2 | -64.7 | -170.4 | -178.5 | 0 | 0 | 113.7 | E47 M48 | E47-M51 HydrophobicContact CG-CE 3.77Å; E47-M51 HydrophobicContact CG-CG 4.4Å; E47-M51 HydrophobicContact CG-SD 3.66Å; E47-M51 WeakPolarHBondContact O-CB 3.45Å; E47-M51 WeakPolarHBondContact O-CG 3.48Å; E47-M51 PolarHBondContact O-N 3.43Å; M48-M51 PolarHBondContact O-N 3.05Å |
| 52 | E | 75.5 | Confident | 80.1 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -92.6 | 155 | -178 | -65.3 | 176.9 | -161 | 0 | 0 | 112.3 | T28 M48 F54 | T28-E52 VanDerWaalsContact CB-OE2 3.28Å; T28-E52 WeakPolarHBondContact CB-OE2 3.42Å; T28-E52 HydrophobicContact CG2-CB 4.27Å; T28-E52 HydrophobicContact CG2-CG 4.39Å; M48-E52 WeakPolarHBondContact O-CB 3.48Å; M48-E52 PolarHBondContact O-N 3.2Å; E52-F54 HydrophobicContact CB-CD1 4.41Å; E52-F54 HydrophobicContact CB-CD2 4.31Å; E52-F54 HydrophobicContact CB-CE1 3.74Å; E52-F54 HydrophobicContact CB-CE2 3.59Å; E52-F54 HydrophobicContact CB-CZ 3.34Å; E52-F54 HydrophobicContact CG-CZ 4.16Å; E52-F54 VanDerWaalsContact O-CD2 3.31Å; E52-F54 WeakPolarHBondContact O-CD2 3.33Å; E52-F54 WeakPolarHBondContact O-CE2 3.37Å; E52-F54 WeakPolarHBondContact OE2-CE1 3.44Å; E52-F54 WeakPolarHBondContact OE2-CZ 3.34Å |
| 53 | V | 67.1 | Low | 79.5 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | trans | -95.5 | 121.3 | 172.8 | 176.9 | 0 | 0 | 0 | 0 | 108.2 | C25 T28 P61 | C25-V53 WeakPolarHBondContact SG-CG1 3.48Å; T28-V53 WeakPolarHBondContact CB-O 3.38Å; T28-V53 PolarHBondContact OG1-O 3.24Å; V53-P61 HydrophobicContact CB-CB 4.23Å; V53-P61 HydrophobicContact CG1-CB 3.13Å; V53-P61 HydrophobicContact CG2-CB 4.09Å | ||
| 54 | F | 63.1 | Low | 79.1 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | trans | -117 | -28.6 | -171.2 | -64.1 | -70.2 | 0 | 0 | 0 | 114.6 | T28 A29 F32 M48 R49 E52 R62 F64 | T28-F54 WeakPolarHBondContact O-CE1 3.41Å; A29-F54 HydrophobicContact CB-CD1 4.32Å; F32-F54 HydrophobicContact CB-CD1 4.19Å; F32-F54 HydrophobicContact CB-CE1 3.48Å; F32-F54 VanDerWaalsContact CB-CE1 3.48Å; F32-F54 HydrophobicContact CB-CZ 3.97Å; F32-F54 HydrophobicContact CD2-CZ 4.14Å; F32-F54 HydrophobicContact CG-CE1 4.14Å; F32-F54 HydrophobicContact CG-CZ 4.21Å; M48-F54 WeakPolarHBondContact O-CE2 3.22Å; M48-F54 WeakPolarHBondContact O-CZ 3.24Å; R49-F54 VanDerWaalsContact CA-CE2 3.48Å; R49-F54 WeakPolarHBondContact O-CE2 3.45Å; E52-F54 HydrophobicContact CB-CD1 4.41Å; E52-F54 HydrophobicContact CB-CD2 4.31Å; E52-F54 HydrophobicContact CB-CE1 3.74Å; E52-F54 HydrophobicContact CB-CE2 3.59Å; E52-F54 HydrophobicContact CB-CZ 3.34Å; E52-F54 HydrophobicContact CG-CZ 4.16Å; E52-F54 VanDerWaalsContact O-CD2 3.31Å; E52-F54 WeakPolarHBondContact O-CD2 3.33Å; E52-F54 WeakPolarHBondContact O-CE2 3.37Å; E52-F54 WeakPolarHBondContact OE2-CE1 3.44Å; E52-F54 WeakPolarHBondContact OE2-CZ 3.34Å; F54-R62 PolarHBondContact N-O 3.38Å; F54-F64 HydrophobicContact CB-CD1 3.68Å; F54-F64 HydrophobicContact CB-CD2 3.64Å; F54-F64 HydrophobicContact CB-CE1 3.61Å; F54-F64 HydrophobicContact CB-CE2 3.6Å; F54-F64 HydrophobicContact CB-CG 3.68Å; F54-F64 HydrophobicContact CB-CZ 3.59Å; F54-F64 HydrophobicContact CD1-CD2 4Å; F54-F64 AromaticContact CD1-CE2 3.88Å; F54-F64 HydrophobicContact CD1-CE2 3.88Å; F54-F64 HydrophobicContact CD2-CB 4.17Å; F54-F64 AromaticContact CD2-CD2 3.84Å; F54-F64 HydrophobicContact CD2-CD2 3.84Å; F54-F64 HydrophobicContact CD2-CE2 4.47Å; F54-F64 AromaticContact CD2-CG 4Å; F54-F64 HydrophobicContact CD2-CG 4Å; F54-F64 HydrophobicContact CE2-CD2 4.45Å; F54-F64 HydrophobicContact CG-CD1 4.41Å; F54-F64 AromaticContact CG-CD2 3.54Å; F54-F64 HydrophobicContact CG-CD2 3.54Å; F54-F64 AromaticContact CG-CE2 3.73Å; F54-F64 HydrophobicContact CG-CE2 3.73Å; F54-F64 AromaticContact CG-CG 3.91Å; F54-F64 HydrophobicContact CG-CG 3.91Å; F54-F64 HydrophobicContact CG-CZ 4.24Å | ||
| 55 | C | 64.6 | Low | 78.7 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.034 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 150.5 | -176.9 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | R62 F64 | C55-R62 PolarHBondContact N-O 3.34Å; C55-R62 PolarHBondContact O-N 3.3Å; C55-F64 HydrophobicContact CB-CE1 4.27Å |
| 56 | W | 64.4 | Low | 78.6 | Confident | 98 Ų | 98 | 54.4 Ų | 54.4 | 37% | 0.371 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 102.7 | 167.4 | -81.6 | 74.7 | 0 | 0 | 0 | 107.6 | C21 C25 G59 | C21-W56 HydrophobicContact CB-CH2 4.1Å; C21-W56 HydrophobicContact CB-CZ2 3.38Å; C21-W56 PolarHBondContact O-NE1 3.24Å; C21-W56 VanDerWaalsContact O-NE1 3.09Å; C25-W56 PolarHBondContact SG-NE1 2.9Å; W56-G59 WeakPolarHBondContact CZ3-O 3.24Å |
| 57 | D | 65.6 | Low | 78.4 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.6 | 177.6 | -167.9 | 15.8 | 0 | 0 | 0 | 108.6 | G59 S60 R62 | D57-G59 PolarHBondContact O-N 3.03Å; D57-G59 VanDerWaalsContact O-N 3.14Å; D57-S60 PolarHBondContact N-O 3.44Å; D57-S60 PolarHBondContact O-N 3.48Å; D57-S60 PolarHBondContact O-OG 3.23Å; D57-R62 IonicContact OD2-CZ 3.62Å; D57-R62 IonicContact OD2-NH1 3.87Å; D57-R62 PolarHBondContact OD2-NH1 3.3Å |
| 58 | N | 64 | Low | 78.2 | Confident | 154 Ų | 154 | 49.6 Ų | 49.6 | 82% | 0.824 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 37.1 | -176 | -57.7 | -44.2 | 0 | 0 | 0 | 114.7 | S60 | N58-S60 VanDerWaalsContact C-N 3.31Å; N58-S60 PolarHBondContact O-N 2.92Å |
| 59 | G | 66.1 | Low | 78.3 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 63% | 0.629 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 10.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W56 D57 | W56-G59 WeakPolarHBondContact CZ3-O 3.24Å; D57-G59 PolarHBondContact O-N 3.03Å; D57-G59 VanDerWaalsContact O-N 3.14Å |
| 60 | S | 68.7 | Low | 78.4 | Confident | 62 Ų | 62 | 47.2 Ų | 47.2 | 43% | 0.434 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140 | 177.6 | 67.5 | 0 | 0 | 0 | 0 | 112.5 | D57 N58 | D57-S60 PolarHBondContact N-O 3.44Å; D57-S60 PolarHBondContact O-N 3.48Å; D57-S60 PolarHBondContact O-OG 3.23Å; N58-S60 VanDerWaalsContact C-N 3.31Å; N58-S60 PolarHBondContact O-N 2.92Å |
| 61 | P | 74.3 | Confident | 78.7 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 130.2 | 171.8 | 24.9 | -31.5 | 0 | 0 | 0 | 111.2 | V53 | V53-P61 HydrophobicContact CB-CB 4.23Å; V53-P61 HydrophobicContact CG1-CB 3.13Å; V53-P61 HydrophobicContact CG2-CB 4.09Å |
| 62 | R | 83.4 | Confident | 79.4 | Confident | 55 Ų | 55 | 38 Ų | 38 | 21% | 0.208 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.3 | 177.6 | -160.2 | -167.2 | 76.9 | -167.3 | 0.7 | 112.8 | F54 C55 D57 E68 | F54-R62 PolarHBondContact N-O 3.38Å; C55-R62 PolarHBondContact N-O 3.34Å; C55-R62 PolarHBondContact O-N 3.3Å; D57-R62 IonicContact OD2-CZ 3.62Å; D57-R62 IonicContact OD2-NH1 3.87Å; D57-R62 PolarHBondContact OD2-NH1 3.3Å; R62-E68 IonicContact CZ-OE1 2.65Å; R62-E68 IonicContact NH2-OE1 3.1Å; R62-E68 PolarHBondContact NH2-OE1 3.36Å; R62-E68 IonicContact NH2-OE2 3.22Å; R62-E68 PolarHBondContact NH2-OE2 2.91Å |
| 63 | A | 85.8 | Confident | 80.5 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -64 | 156.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R49 | R49-A63 VanDerWaalsContact O-CB 3.29Å; R49-A63 WeakPolarHBondContact O-CB 3.34Å |
| 64 | F | 87.1 | Confident | 81.9 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 136 | 172.3 | -78.3 | -36.4 | 0 | 0 | 0 | 110.8 | A29 F32 R49 F54 C55 E68 Y72 F101 | A29-F64 HydrophobicContact CB-CE2 4.26Å; A29-F64 HydrophobicContact CB-CZ 3.92Å; F32-F64 AromaticContact CD1-CD2 3.75Å; F32-F64 HydrophobicContact CD1-CD2 3.75Å; F32-F64 AromaticContact CD1-CE2 3.83Å; F32-F64 HydrophobicContact CD1-CE2 3.83Å; F32-F64 AromaticContact CE1-CD2 4Å; F32-F64 HydrophobicContact CE1-CD2 4Å; F32-F64 HydrophobicContact CE1-CE2 4.42Å; F32-F64 HydrophobicContact CG-CD2 4.32Å; F32-F64 HydrophobicContact CG-CE2 4.46Å; R49-F64 HydrophobicContact CG-CB 3.97Å; R49-F64 WeakPolarHBondContact CG-O 3.48Å; R49-F64 PolarHBondContact NH1-O 3.36Å; F54-F64 HydrophobicContact CB-CD1 3.68Å; F54-F64 HydrophobicContact CB-CD2 3.64Å; F54-F64 HydrophobicContact CB-CE1 3.61Å; F54-F64 HydrophobicContact CB-CE2 3.6Å; F54-F64 HydrophobicContact CB-CG 3.68Å; F54-F64 HydrophobicContact CB-CZ 3.59Å; F54-F64 HydrophobicContact CD1-CD2 4Å; F54-F64 AromaticContact CD1-CE2 3.88Å; F54-F64 HydrophobicContact CD1-CE2 3.88Å; F54-F64 HydrophobicContact CD2-CB 4.17Å; F54-F64 AromaticContact CD2-CD2 3.84Å; F54-F64 HydrophobicContact CD2-CD2 3.84Å; F54-F64 HydrophobicContact CD2-CE2 4.47Å; F54-F64 AromaticContact CD2-CG 4Å; F54-F64 HydrophobicContact CD2-CG 4Å; F54-F64 HydrophobicContact CE2-CD2 4.45Å; F54-F64 HydrophobicContact CG-CD1 4.41Å; F54-F64 AromaticContact CG-CD2 3.54Å; F54-F64 HydrophobicContact CG-CD2 3.54Å; F54-F64 AromaticContact CG-CE2 3.73Å; F54-F64 HydrophobicContact CG-CE2 3.73Å; F54-F64 AromaticContact CG-CG 3.91Å; F54-F64 HydrophobicContact CG-CG 3.91Å; F54-F64 HydrophobicContact CG-CZ 4.24Å; C55-F64 HydrophobicContact CB-CE1 4.27Å; F64-E68 WeakPolarHBondContact CA-OE2 3.46Å; F64-E68 HydrophobicContact CB-CB 4.28Å; F64-E68 HydrophobicContact CD1-CB 4.16Å; F64-E68 WeakPolarHBondContact CD1-OE2 3.37Å; F64-E68 HydrophobicContact CG-CB 4.4Å; F64-Y72 AromaticContact CE2-CE2 3.97Å; F64-Y72 HydrophobicContact CE2-CE2 3.97Å; F64-Y72 HydrophobicContact CZ-CE2 4.08Å; F64-F101 HydrophobicContact CD1-CE2 4.3Å; F64-F101 HydrophobicContact CD1-CZ 4.13Å; F64-F101 AromaticContact CE1-CE2 4Å; F64-F101 HydrophobicContact CE1-CE2 4Å; F64-F101 AromaticContact CE1-CZ 3.59Å; F64-F101 HydrophobicContact CE1-CZ 3.59Å; F64-F101 HydrophobicContact CZ-CZ 4.19Å |
| 65 | Q | 89.3 | Confident | 83.3 | Confident | 73 Ų | 73 | 33.4 Ų | 33.4 | 34% | 0.341 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 157 | 171.2 | -74.9 | 178.6 | -11.1 | 0 | 0 | 111 | S67 E68 A69 | Q65-S67 PolarHBondContact O-N 3.03Å; Q65-E68 HydrophobicContact CB-CG 4.34Å; Q65-E68 PolarHBondContact N-OE2 3.45Å; Q65-E68 WeakPolarHBondContact O-CB 3.24Å; Q65-E68 PolarHBondContact O-N 3.34Å; Q65-A69 PolarHBondContact O-N 3.28Å |
| 66 | P | 93.3 | Very high | 84.9 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.9 | -34.5 | 173.6 | -28 | 36.2 | 0 | 0 | 0 | 113.3 | E68 L70 L85 Y89 A93 | P66-E68 VanDerWaalsContact C-N 3.35Å; P66-L70 WeakPolarHBondContact O-CB 3.27Å; P66-L70 PolarHBondContact O-N 3.48Å; P66-L85 HydrophobicContact CB-CD2 4.17Å; P66-Y89 HydrophobicContact CB-CD1 4.32Å; P66-Y89 HydrophobicContact CB-CD2 3.64Å; P66-Y89 HydrophobicContact CB-CE2 4.13Å; P66-Y89 HydrophobicContact CB-CG 3.76Å; P66-Y89 HydrophobicContact CG-CD1 3.67Å; P66-Y89 HydrophobicContact CG-CD2 3.75Å; P66-Y89 HydrophobicContact CG-CE1 3.83Å; P66-Y89 HydrophobicContact CG-CE2 3.91Å; P66-Y89 HydrophobicContact CG-CG 3.64Å; P66-A93 HydrophobicContact CB-CB 4.29Å |
| 67 | S | 91.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.7 | -34.6 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | Q65 A93 R95 H111 | Q65-S67 PolarHBondContact O-N 3.03Å; S67-A93 WeakPolarHBondContact CA-O 3.29Å; S67-A93 WeakPolarHBondContact CB-O 3.2Å; S67-R95 WeakPolarHBondContact CB-O 3.25Å; S67-H111 PolarHBondContact O-NE2 3.2Å |
| 68 | E | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.6 | -45.4 | 177.8 | -66.2 | 164.2 | 166.9 | 0 | 0 | 110.2 | R62 F64 Q65 P66 L70 L71 Y72 P97 A98 F101 | R62-E68 IonicContact CZ-OE1 2.65Å; R62-E68 IonicContact NH2-OE1 3.1Å; R62-E68 PolarHBondContact NH2-OE1 3.36Å; R62-E68 IonicContact NH2-OE2 3.22Å; R62-E68 PolarHBondContact NH2-OE2 2.91Å; F64-E68 WeakPolarHBondContact CA-OE2 3.46Å; F64-E68 HydrophobicContact CB-CB 4.28Å; F64-E68 HydrophobicContact CD1-CB 4.16Å; F64-E68 WeakPolarHBondContact CD1-OE2 3.37Å; F64-E68 HydrophobicContact CG-CB 4.4Å; Q65-E68 HydrophobicContact CB-CG 4.34Å; Q65-E68 PolarHBondContact N-OE2 3.45Å; Q65-E68 WeakPolarHBondContact O-CB 3.24Å; Q65-E68 PolarHBondContact O-N 3.34Å; P66-E68 VanDerWaalsContact C-N 3.35Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 2.91Å; E68-L71 WeakPolarHBondContact O-CB 3.4Å; E68-L71 PolarHBondContact O-N 3.17Å; E68-L71 VanDerWaalsContact O-N 3.12Å; E68-Y72 WeakPolarHBondContact O-CD2 3.32Å; E68-P97 HydrophobicContact CG-CB 3.94Å; E68-A98 VanDerWaalsContact OE1-CB 3.31Å; E68-A98 WeakPolarHBondContact OE1-CB 3.28Å; E68-A98 PolarHBondContact OE1-N 3.37Å; E68-F101 HydrophobicContact CB-CE2 3.93Å; E68-F101 HydrophobicContact CB-CZ 4Å; E68-F101 VanDerWaalsContact CD-CE2 3.46Å; E68-F101 HydrophobicContact CG-CD2 3.81Å; E68-F101 HydrophobicContact CG-CE2 3.48Å; E68-F101 VanDerWaalsContact CG-CE2 3.48Å; E68-F101 HydrophobicContact CG-CZ 4.06Å |
| 69 | A | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.3 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F32 R49 Q65 L71 Y72 A73 Y81 L85 | F32-A69 HydrophobicContact CE1-CB 4.3Å; F32-A69 HydrophobicContact CZ-CB 3.95Å; R49-A69 VanDerWaalsContact CD-CB 3.49Å; R49-A69 HydrophobicContact CG-CB 4.44Å; Q65-A69 PolarHBondContact O-N 3.28Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 3.49Å; A69-Y72 PolarHBondContact O-N 3Å; A69-Y72 VanDerWaalsContact O-N 3.16Å; A69-A73 PolarHBondContact O-N 2.91Å; A69-Y81 HydrophobicContact CB-CE1 4.12Å; A69-L85 HydrophobicContact CB-CD1 3.92Å; A69-L85 HydrophobicContact CB-CD2 4.38Å |
| 70 | L | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -35.8 | 177.2 | -177.8 | 61.8 | 0 | 0 | 0 | 111.9 | P66 E68 Y72 A73 I74 A82 L85 L86 A93 L94 | P66-L70 WeakPolarHBondContact O-CB 3.27Å; P66-L70 PolarHBondContact O-N 3.48Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 2.91Å; L70-Y72 VanDerWaalsContact C-N 3.33Å; L70-Y72 PolarHBondContact O-N 3.31Å; L70-A73 PolarHBondContact O-N 3.44Å; L70-I74 HydrophobicContact CD1-CD1 4.36Å; L70-I74 HydrophobicContact CD1-CG1 4.31Å; L70-I74 HydrophobicContact CD2-CD1 4.48Å; L70-I74 HydrophobicContact CG-CD1 3.85Å; L70-I74 HydrophobicContact CG-CG1 4.31Å; L70-I74 WeakPolarHBondContact O-CD1 3.37Å; L70-I74 WeakPolarHBondContact O-CG1 3.32Å; L70-I74 PolarHBondContact O-N 3.34Å; L70-A82 HydrophobicContact CD1-CB 3.99Å; L70-L85 HydrophobicContact CB-CD1 4.04Å; L70-L85 HydrophobicContact CD1-CD1 4.39Å; L70-L86 HydrophobicContact CD1-CD1 4.38Å; L70-L86 HydrophobicContact CD1-CG 4.23Å; L70-L86 HydrophobicContact CD2-CD2 3.8Å; L70-L86 HydrophobicContact CD2-CG 4.34Å; L70-A93 HydrophobicContact CD2-CB 4.21Å; L70-A93 WeakPolarHBondContact CD2-O 3.44Å; L70-L94 HydrophobicContact CD2-CD2 3.84Å |
| 71 | L | 92.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 6% | 0.063 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.1 | -67.2 | 174.3 | 0 | 0 | 0 | 111.7 | E68 A69 I74 V75 P97 F101 P110 V114 L151 | E68-L71 WeakPolarHBondContact O-CB 3.4Å; E68-L71 PolarHBondContact O-N 3.17Å; E68-L71 VanDerWaalsContact O-N 3.12Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 3.49Å; L71-I74 PolarHBondContact O-N 3.36Å; L71-V75 VanDerWaalsContact O-CG2 3.24Å; L71-V75 WeakPolarHBondContact O-CG2 3.48Å; L71-V75 PolarHBondContact O-N 2.85Å; L71-P97 HydrophobicContact CD1-CG 3.79Å; L71-F101 HydrophobicContact CD1-CD1 4.36Å; L71-P110 HydrophobicContact CD2-CB 4.39Å; L71-P110 HydrophobicContact CD2-CG 4.42Å; L71-V114 HydrophobicContact CD2-CB 4.29Å; L71-V114 HydrophobicContact CD2-CG2 4.09Å; L71-L151 HydrophobicContact CD1-CD1 4.37Å |
| 72 | Y | 93.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 2% | 0.02 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 175.1 | -70.3 | -82.8 | 0 | 0 | 0 | 111.6 | F32 Y33 F64 E68 A69 L70 I74 V75 H76 F101 | F32-Y72 HydrophobicContact CD1-CD2 4.47Å; F32-Y72 HydrophobicContact CE1-CD2 4.12Å; F32-Y72 HydrophobicContact CE1-CG 4.38Å; Y33-Y72 AromaticContact CD2-CD1 3.76Å; Y33-Y72 HydrophobicContact CD2-CD1 3.76Å; Y33-Y72 AromaticContact CD2-CE1 3.71Å; Y33-Y72 HydrophobicContact CD2-CE1 3.71Å; Y33-Y72 HydrophobicContact CG-CE1 4.38Å; F64-Y72 AromaticContact CE2-CE2 3.97Å; F64-Y72 HydrophobicContact CE2-CE2 3.97Å; F64-Y72 HydrophobicContact CZ-CE2 4.08Å; E68-Y72 WeakPolarHBondContact O-CD2 3.32Å; A69-Y72 PolarHBondContact O-N 3Å; A69-Y72 VanDerWaalsContact O-N 3.16Å; L70-Y72 VanDerWaalsContact C-N 3.33Å; L70-Y72 PolarHBondContact O-N 3.31Å; Y72-I74 VanDerWaalsContact C-N 3.32Å; Y72-I74 PolarHBondContact O-N 3.11Å; Y72-V75 PolarHBondContact O-N 3.36Å; Y72-H76 PolarHBondContact O-CD2 2.85Å; Y72-H76 PolarHBondContact O-N 3.45Å; Y72-H76 VanDerWaalsContact O-N 3.12Å; Y72-F101 HydrophobicContact CE2-CE1 4.11Å; Y72-F101 HydrophobicContact CE2-CZ 4.24Å |
| 73 | A | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A69 L70 D77 H78 Y81 A82 | A69-A73 PolarHBondContact O-N 2.91Å; L70-A73 PolarHBondContact O-N 3.44Å; A73-D77 WeakPolarHBondContact O-CA 3.19Å; A73-D77 PolarHBondContact O-N 2.85Å; A73-H78 HydrophobicContact CB-CB 4.39Å; A73-H78 PolarHBondContact O-N 3.2Å; A73-Y81 HydrophobicContact CB-CD1 3.98Å; A73-A82 HydrophobicContact CB-CB 4.13Å |
| 74 | I | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -50.7 | 176.8 | -65.5 | 156.9 | 0 | 0 | 0 | 111.1 | L70 L71 Y72 H76 D77 H111 V114 V115 R120 I123 | L70-I74 HydrophobicContact CD1-CD1 4.36Å; L70-I74 HydrophobicContact CD1-CG1 4.31Å; L70-I74 HydrophobicContact CD2-CD1 4.48Å; L70-I74 HydrophobicContact CG-CD1 3.85Å; L70-I74 HydrophobicContact CG-CG1 4.31Å; L70-I74 WeakPolarHBondContact O-CD1 3.37Å; L70-I74 WeakPolarHBondContact O-CG1 3.32Å; L70-I74 PolarHBondContact O-N 3.34Å; L71-I74 PolarHBondContact O-N 3.36Å; Y72-I74 VanDerWaalsContact C-N 3.32Å; Y72-I74 PolarHBondContact O-N 3.11Å; I74-H76 PolarHBondContact O-N 3.41Å; I74-D77 PolarHBondContact O-N 3.44Å; I74-H111 HydrophobicContact CD1-CB 4.02Å; I74-V114 HydrophobicContact CB-CG1 4.23Å; I74-V114 HydrophobicContact CG2-CB 4.42Å; I74-V114 HydrophobicContact CG2-CG1 3.71Å; I74-V115 HydrophobicContact CB-CG2 4.31Å; I74-V115 HydrophobicContact CD1-CG2 3.61Å; I74-V115 HydrophobicContact CG1-CG2 3.7Å; I74-V115 HydrophobicContact CG2-CB 4.16Å; I74-V115 HydrophobicContact CG2-CG2 3.54Å; I74-R120 HydrophobicContact CG2-CB 4.45Å; I74-R120 HydrophobicContact CG2-CG 3.99Å; I74-R120 WeakPolarHBondContact O-CG 3.43Å; I74-R120 PolarHBondContact O-NE 3.44Å; I74-I123 HydrophobicContact CG1-CG2 3.9Å |
| 75 | V | 94.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 26 Ų | 26 | 12% | 0.115 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.6 | -41.7 | -177.9 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | W3 L71 Y72 V114 Y118 R120 | W3-V75 HydrophobicContact CZ2-CG2 4.19Å; L71-V75 VanDerWaalsContact O-CG2 3.24Å; L71-V75 WeakPolarHBondContact O-CG2 3.48Å; L71-V75 PolarHBondContact O-N 2.85Å; Y72-V75 PolarHBondContact O-N 3.36Å; V75-V114 HydrophobicContact CG2-CG1 3.89Å; V75-Y118 HydrophobicContact CB-CE2 4.4Å; V75-Y118 HydrophobicContact CG1-CE1 4.44Å; V75-Y118 HydrophobicContact CG1-CE2 4.41Å; V75-Y118 HydrophobicContact CG2-CD2 4.15Å; V75-Y118 HydrophobicContact CG2-CE2 3.69Å; V75-R120 PolarHBondContact O-NH2 3.38Å |
| 76 | H | 96.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 22.6 Ų | 22.6 | 15% | 0.153 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.9 | -176.6 | -64.9 | -61.3 | 0 | 0 | 0 | 115.4 | Y33 V36 Y72 I74 H78 | Y33-H76 AromaticContact CD2-NE2 3.61Å; Y33-H76 AromaticContact CE2-CE1 3.66Å; Y33-H76 AromaticContact CE2-NE2 3.05Å; Y33-H76 WeakPolarHBondContact CE2-NE2 3.43Å; Y33-H76 AromaticContact CZ-CE1 3.81Å; Y33-H76 AromaticContact CZ-NE2 3.64Å; V36-H76 HydrophobicContact CG1-CB 4.31Å; Y72-H76 PolarHBondContact O-CD2 2.85Å; Y72-H76 PolarHBondContact O-N 3.45Å; Y72-H76 VanDerWaalsContact O-N 3.12Å; I74-H76 PolarHBondContact O-N 3.41Å; H76-H78 PolarHBondContact O-N 3.45Å |
| 77 | D | 97.4 | Very high | 96 | Very high | 45 Ų | 45 | 27.8 Ų | 27.8 | 24% | 0.241 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 33.6 | -176.7 | -144.8 | -8.7 | 0 | 0 | 0 | 114.1 | A73 I74 Q79 R120 | A73-D77 WeakPolarHBondContact O-CA 3.19Å; A73-D77 PolarHBondContact O-N 2.85Å; I74-D77 PolarHBondContact O-N 3.44Å; D77-Q79 PolarHBondContact O-N 3.14Å; D77-Q79 WeakPolarHBondContact OD1-CG 3.41Å; D77-Q79 PolarHBondContact OD1-NE2 3.37Å; D77-R120 VanDerWaalsContact CB-CZ 3.44Å; D77-R120 VanDerWaalsContact CG-CD 3.5Å; D77-R120 IonicContact OD2-CZ 2.65Å; D77-R120 IonicContact OD2-NE 3.97Å; D77-R120 IonicContact OD2-NH1 3.57Å; D77-R120 PolarHBondContact OD2-NH1 3.01Å |
| 78 | H | 98.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | trans | -77.8 | 79.9 | 177.3 | -164 | -28.9 | 0 | 0 | 0 | 109.2 | V36 Q39 L40 A73 H76 D80 Y81 A82 | V36-H78 HydrophobicContact CG1-CB 4.32Å; Q39-H78 VanDerWaalsContact CA-CD2 3.49Å; Q39-H78 WeakPolarHBondContact CA-CD2 3.49Å; Q39-H78 WeakPolarHBondContact CA-NE2 3.39Å; L40-H78 PolarHBondContact O-NE2 3.48Å; A73-H78 HydrophobicContact CB-CB 4.39Å; A73-H78 PolarHBondContact O-N 3.2Å; H76-H78 PolarHBondContact O-N 3.45Å; H78-D80 VanDerWaalsContact C-N 3.31Å; H78-D80 PolarHBondContact O-N 3.34Å; H78-Y81 WeakPolarHBondContact ND1-CB 3.35Å; H78-Y81 PolarHBondContact ND1-N 3.29Å; H78-Y81 VanDerWaalsContact ND1-N 3.19Å; H78-Y81 PolarHBondContact O-N 2.93Å; H78-A82 WeakPolarHBondContact O-CB 3.29Å; H78-A82 PolarHBondContact O-N 2.93Å | ||
| 79 | Q | 98.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 29% | 0.29 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63 | -35.7 | -171.6 | -67.1 | 180 | 24.4 | 0 | 0 | 112.7 | D77 R83 I123 M126 | D77-Q79 PolarHBondContact O-N 3.14Å; D77-Q79 WeakPolarHBondContact OD1-CG 3.41Å; D77-Q79 PolarHBondContact OD1-NE2 3.37Å; Q79-R83 WeakPolarHBondContact O-CB 3.39Å; Q79-R83 PolarHBondContact O-N 2.93Å; Q79-I123 HydrophobicContact CG-CD1 4.36Å; Q79-I123 HydrophobicContact CG-CG1 4.14Å; Q79-M126 HydrophobicContact CB-CE 3.99Å; Q79-M126 HydrophobicContact CG-CE 4.26Å |
| 80 | D | 98.3 | Very high | 96.4 | Very high | 97 Ų | 97 | 39.8 Ų | 39.8 | 52% | 0.519 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 178.8 | -66.9 | -27.8 | 0 | 0 | 0 | 111.4 | V42 H78 R83 Y84 | V42-D80 HydrophobicContact CG2-CB 4.21Å; H78-D80 VanDerWaalsContact C-N 3.31Å; H78-D80 PolarHBondContact O-N 3.34Å; D80-R83 PolarHBondContact O-N 3.4Å; D80-R83 IonicContact OD1-CZ 3.71Å; D80-R83 IonicContact OD1-NH1 2.65Å; D80-R83 PolarHBondContact OD1-NH1 3.41Å; D80-Y84 WeakPolarHBondContact O-CB 3.45Å; D80-Y84 PolarHBondContact O-N 3.32Å |
| 81 | Y | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.8 | -41.1 | 176.1 | -167.9 | -140.9 | 0 | 0 | 0 | 112.1 | F32 V36 V42 L45 E46 R49 A69 A73 H78 R83 Y84 L85 | F32-Y81 AromaticContact CZ-CE1 3.89Å; F32-Y81 HydrophobicContact CZ-CE1 3.89Å; V36-Y81 HydrophobicContact CG2-CD1 4.34Å; V36-Y81 HydrophobicContact CG2-CE1 4.19Å; V42-Y81 HydrophobicContact CG1-CD2 4.23Å; V42-Y81 HydrophobicContact CG2-CD2 4.41Å; L45-Y81 HydrophobicContact CB-CD2 4.25Å; L45-Y81 HydrophobicContact CB-CE1 4.19Å; L45-Y81 HydrophobicContact CB-CE2 3.91Å; L45-Y81 HydrophobicContact CD1-CD1 3.66Å; L45-Y81 HydrophobicContact CD1-CD2 4.07Å; L45-Y81 HydrophobicContact CD1-CE1 4.07Å; L45-Y81 HydrophobicContact CD1-CE2 4.46Å; L45-Y81 HydrophobicContact CD1-CG 3.67Å; E46-Y81 HydrophobicContact CG-CE2 4.06Å; E46-Y81 VanDerWaalsContact OE1-CE2 3.26Å; E46-Y81 WeakPolarHBondContact OE1-CE2 3.33Å; E46-Y81 PolarHBondContact OE1-OH 3.04Å; R49-Y81 WeakPolarHBondContact CD-OH 3.4Å; A69-Y81 HydrophobicContact CB-CE1 4.12Å; A73-Y81 HydrophobicContact CB-CD1 3.98Å; H78-Y81 WeakPolarHBondContact ND1-CB 3.35Å; H78-Y81 PolarHBondContact ND1-N 3.29Å; H78-Y81 VanDerWaalsContact ND1-N 3.19Å; H78-Y81 PolarHBondContact O-N 2.93Å; Y81-R83 PolarHBondContact O-N 3.4Å; Y81-Y84 HydrophobicContact CD2-CD1 4.34Å; Y81-Y84 HydrophobicContact CE2-CD1 4.28Å; Y81-Y84 PolarHBondContact O-N 2.83Å; Y81-L85 HydrophobicContact CD1-CD1 4.09Å; Y81-L85 HydrophobicContact CD2-CD1 4.36Å; Y81-L85 HydrophobicContact CD2-CG 4.18Å; Y81-L85 HydrophobicContact CE1-CD1 3.88Å; Y81-L85 HydrophobicContact CE2-CD1 4.15Å; Y81-L85 HydrophobicContact CE2-CD2 4Å; Y81-L85 HydrophobicContact CE2-CG 3.93Å; Y81-L85 HydrophobicContact CG-CD1 4.32Å; Y81-L85 VanDerWaalsContact O-CG 3.3Å; Y81-L85 WeakPolarHBondContact O-CG 3.48Å; Y81-L85 PolarHBondContact O-N 2.81Å |
| 82 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L70 A73 H78 Y84 L85 L86 I123 | L70-A82 HydrophobicContact CD1-CB 3.99Å; A73-A82 HydrophobicContact CB-CB 4.13Å; H78-A82 WeakPolarHBondContact O-CB 3.29Å; H78-A82 PolarHBondContact O-N 2.93Å; A82-Y84 PolarHBondContact O-N 3.27Å; A82-L85 PolarHBondContact O-N 3.05Å; A82-L86 WeakPolarHBondContact O-CB 3.45Å; A82-L86 WeakPolarHBondContact O-CD1 3.49Å; A82-L86 VanDerWaalsContact O-CG 3.25Å; A82-L86 WeakPolarHBondContact O-CG 3.49Å; A82-L86 PolarHBondContact O-N 3.16Å; A82-I123 HydrophobicContact CB-CD1 4.05Å; A82-I123 HydrophobicContact CB-CG1 4.15Å; A82-I123 HydrophobicContact CB-CG2 3.99Å |
| 83 | R | 98.3 | Very high | 95.9 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 176.3 | -171.5 | -179 | -59.7 | 102.1 | 0.8 | 111.5 | Q79 D80 Y81 N87 M126 | Q79-R83 WeakPolarHBondContact O-CB 3.39Å; Q79-R83 PolarHBondContact O-N 2.93Å; D80-R83 PolarHBondContact O-N 3.4Å; D80-R83 IonicContact OD1-CZ 3.71Å; D80-R83 IonicContact OD1-NH1 2.65Å; D80-R83 PolarHBondContact OD1-NH1 3.41Å; Y81-R83 PolarHBondContact O-N 3.4Å; R83-N87 VanDerWaalsContact O-CB 3.26Å; R83-N87 WeakPolarHBondContact O-CB 3.14Å; R83-N87 VanDerWaalsContact O-CG 3.23Å; R83-N87 PolarHBondContact O-N 2.92Å; R83-M126 HydrophobicContact CB-SD 3.62Å; R83-M126 HydrophobicContact CG-SD 4.15Å |
| 84 | Y | 98.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 42.6 Ų | 42.6 | 30% | 0.302 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.6 | -50.1 | 176.7 | 172.1 | -90.8 | 0 | 0 | 0 | 111.4 | V42 E46 D80 Y81 A82 L86 N87 R88 Y89 | V42-Y84 HydrophobicContact CG1-CD1 3.66Å; V42-Y84 HydrophobicContact CG1-CD2 3.48Å; V42-Y84 VanDerWaalsContact CG1-CD2 3.48Å; V42-Y84 HydrophobicContact CG1-CE1 4.22Å; V42-Y84 HydrophobicContact CG1-CE2 4.02Å; V42-Y84 HydrophobicContact CG1-CG 3.26Å; E46-Y84 HydrophobicContact CG-CD1 4.05Å; E46-Y84 HydrophobicContact CG-CE1 3.31Å; E46-Y84 WeakPolarHBondContact OE2-CE1 2.99Å; D80-Y84 WeakPolarHBondContact O-CB 3.45Å; D80-Y84 PolarHBondContact O-N 3.32Å; Y81-Y84 HydrophobicContact CD2-CD1 4.34Å; Y81-Y84 HydrophobicContact CE2-CD1 4.28Å; Y81-Y84 PolarHBondContact O-N 2.83Å; A82-Y84 PolarHBondContact O-N 3.27Å; Y84-L86 PolarHBondContact O-N 2.76Å; Y84-N87 PolarHBondContact O-N 3.35Å; Y84-R88 HydrophobicContact CE1-CB 4.34Å; Y84-R88 HydrophobicContact CE1-CG 4.47Å; Y84-R88 HydrophobicContact CE2-CB 4.45Å; Y84-R88 WeakPolarHBondContact O-CB 2.89Å; Y84-R88 PolarHBondContact O-N 2.81Å; Y84-Y89 HydrophobicContact CE1-CE2 4.07Å |
| 85 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | -178.6 | -70.1 | 170.6 | 0 | 0 | 0 | 111.5 | P66 A69 L70 Y81 A82 Y89 A93 | P66-L85 HydrophobicContact CB-CD2 4.17Å; A69-L85 HydrophobicContact CB-CD1 3.92Å; A69-L85 HydrophobicContact CB-CD2 4.38Å; L70-L85 HydrophobicContact CB-CD1 4.04Å; L70-L85 HydrophobicContact CD1-CD1 4.39Å; Y81-L85 HydrophobicContact CD1-CD1 4.09Å; Y81-L85 HydrophobicContact CD2-CD1 4.36Å; Y81-L85 HydrophobicContact CD2-CG 4.18Å; Y81-L85 HydrophobicContact CE1-CD1 3.88Å; Y81-L85 HydrophobicContact CE2-CD1 4.15Å; Y81-L85 HydrophobicContact CE2-CD2 4Å; Y81-L85 HydrophobicContact CE2-CG 3.93Å; Y81-L85 HydrophobicContact CG-CD1 4.32Å; Y81-L85 VanDerWaalsContact O-CG 3.3Å; Y81-L85 WeakPolarHBondContact O-CG 3.48Å; Y81-L85 PolarHBondContact O-N 2.81Å; A82-L85 PolarHBondContact O-N 3.05Å; L85-Y89 HydrophobicContact CD2-CD2 4.09Å; L85-Y89 HydrophobicContact CD2-CE2 3.96Å; L85-Y89 WeakPolarHBondContact O-CB 3.46Å; L85-Y89 WeakPolarHBondContact O-CD2 3.37Å; L85-Y89 PolarHBondContact O-N 3.4Å; L85-A93 HydrophobicContact CB-CB 4.49Å |
| 86 | L | 96.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.3 | -40 | -179.9 | -69.1 | 167.7 | 0 | 0 | 0 | 112.1 | L70 A82 Y84 S90 A93 L94 M126 V127 A130 | L70-L86 HydrophobicContact CD1-CD1 4.38Å; L70-L86 HydrophobicContact CD1-CG 4.23Å; L70-L86 HydrophobicContact CD2-CD2 3.8Å; L70-L86 HydrophobicContact CD2-CG 4.34Å; A82-L86 WeakPolarHBondContact O-CB 3.45Å; A82-L86 WeakPolarHBondContact O-CD1 3.49Å; A82-L86 VanDerWaalsContact O-CG 3.25Å; A82-L86 WeakPolarHBondContact O-CG 3.49Å; A82-L86 PolarHBondContact O-N 3.16Å; Y84-L86 PolarHBondContact O-N 2.76Å; L86-S90 WeakPolarHBondContact O-CA 3.39Å; L86-S90 PolarHBondContact O-N 2.78Å; L86-A93 HydrophobicContact CD2-CB 4.32Å; L86-L94 HydrophobicContact CD2-CD2 3.63Å; L86-L94 HydrophobicContact CD2-CG 4.21Å; L86-M126 HydrophobicContact CD1-CB 3.49Å; L86-M126 VanDerWaalsContact CD1-CB 3.49Å; L86-V127 HydrophobicContact CD1-CG2 4Å; L86-V127 HydrophobicContact CD2-CG2 4.26Å; L86-A130 HydrophobicContact CB-CB 4.32Å; L86-A130 HydrophobicContact CD2-CB 3.96Å |
| 87 | N | 96.3 | Very high | 93.6 | Very high | 129 Ų | 129 | 52.3 Ų | 52.3 | 69% | 0.69 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -72.7 | -39.3 | 177.5 | -72.1 | -4.4 | 0 | 0 | 0 | 112.2 | R83 Y84 | R83-N87 VanDerWaalsContact O-CB 3.26Å; R83-N87 WeakPolarHBondContact O-CB 3.14Å; R83-N87 VanDerWaalsContact O-CG 3.23Å; R83-N87 PolarHBondContact O-N 2.92Å; Y84-N87 PolarHBondContact O-N 3.35Å |
| 88 | R | 96 | Very high | 92.4 | Very high | 159 Ų | 159 | 50.9 Ų | 50.9 | 60% | 0.6 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -78.6 | -37.7 | -173.7 | -177.1 | 63.7 | -177.8 | 95.7 | -4.6 | 112.9 | Y84 | Y84-R88 HydrophobicContact CE1-CB 4.34Å; Y84-R88 HydrophobicContact CE1-CG 4.47Å; Y84-R88 HydrophobicContact CE2-CB 4.45Å; Y84-R88 WeakPolarHBondContact O-CB 2.89Å; Y84-R88 PolarHBondContact O-N 2.81Å |
| 89 | Y | 94.1 | Very high | 90.5 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -114.8 | -10.4 | -173.8 | -54.6 | -79.7 | 0 | 0 | 0 | 113.3 | E46 R49 P66 Y84 L85 V91 G92 | E46-Y89 PolarHBondContact OE2-OH 3.34Å; R49-Y89 PolarHBondContact NH2-OH 3.3Å; P66-Y89 HydrophobicContact CB-CD1 4.32Å; P66-Y89 HydrophobicContact CB-CD2 3.64Å; P66-Y89 HydrophobicContact CB-CE2 4.13Å; P66-Y89 HydrophobicContact CB-CG 3.76Å; P66-Y89 HydrophobicContact CG-CD1 3.67Å; P66-Y89 HydrophobicContact CG-CD2 3.75Å; P66-Y89 HydrophobicContact CG-CE1 3.83Å; P66-Y89 HydrophobicContact CG-CE2 3.91Å; P66-Y89 HydrophobicContact CG-CG 3.64Å; Y84-Y89 HydrophobicContact CE1-CE2 4.07Å; L85-Y89 HydrophobicContact CD2-CD2 4.09Å; L85-Y89 HydrophobicContact CD2-CE2 3.96Å; L85-Y89 WeakPolarHBondContact O-CB 3.46Å; L85-Y89 WeakPolarHBondContact O-CD2 3.37Å; L85-Y89 PolarHBondContact O-N 3.4Å; Y89-V91 PolarHBondContact O-N 3.2Å; Y89-G92 VanDerWaalsContact O-CA 3.31Å; Y89-G92 WeakPolarHBondContact O-CA 3.14Å; Y89-G92 PolarHBondContact O-N 3.28Å |
| 90 | S | 91.6 | Very high | 88.6 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | 47.3 | -127.7 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | L86 G92 A93 D133 | L86-S90 WeakPolarHBondContact O-CA 3.39Å; L86-S90 PolarHBondContact O-N 2.78Å; S90-G92 PolarHBondContact O-N 2.65Å; S90-A93 WeakPolarHBondContact O-CB 3.42Å; S90-A93 PolarHBondContact O-N 2.67Å; S90-D133 WeakPolarHBondContact OG-CB 3.11Å; S90-D133 PolarHBondContact OG-OD2 3.24Å |
| 91 | V | 88.6 | Confident | 86.6 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 33% | 0.327 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -52.7 | -27.5 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 112.8 | Y89 A93 L94 R95 D133 C134 | Y89-V91 PolarHBondContact O-N 3.2Å; V91-A93 VanDerWaalsContact C-N 3.31Å; V91-A93 PolarHBondContact O-N 3.43Å; V91-L94 PolarHBondContact O-N 3.37Å; V91-R95 PolarHBondContact O-N 2.95Å; V91-D133 HydrophobicContact CG2-CB 4.2Å; V91-C134 VanDerWaalsContact CG1-SG 3.58Å; V91-C134 HydrophobicContact CG2-CB 4.35Å; V91-C134 VanDerWaalsContact CG2-SG 3.56Å |
| 92 | G | 89.1 | Confident | 84.5 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -60.7 | -35.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y89 S90 L94 | Y89-G92 VanDerWaalsContact O-CA 3.31Å; Y89-G92 WeakPolarHBondContact O-CA 3.14Å; Y89-G92 PolarHBondContact O-N 3.28Å; S90-G92 PolarHBondContact O-N 2.65Å; G92-L94 PolarHBondContact O-N 3.29Å |
| 93 | A | 92.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -74.7 | -13.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | P66 S67 L70 L85 L86 S90 V91 H111 | P66-A93 HydrophobicContact CB-CB 4.29Å; S67-A93 WeakPolarHBondContact CA-O 3.29Å; S67-A93 WeakPolarHBondContact CB-O 3.2Å; L70-A93 HydrophobicContact CD2-CB 4.21Å; L70-A93 WeakPolarHBondContact CD2-O 3.44Å; L85-A93 HydrophobicContact CB-CB 4.49Å; L86-A93 HydrophobicContact CD2-CB 4.32Å; S90-A93 WeakPolarHBondContact O-CB 3.42Å; S90-A93 PolarHBondContact O-N 2.67Å; V91-A93 VanDerWaalsContact C-N 3.31Å; V91-A93 PolarHBondContact O-N 3.43Å; A93-H111 PolarHBondContact O-NE2 3.45Å |
| 94 | L | 90.9 | Very high | 80.4 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -100.2 | -0.2 | 179.3 | -57.3 | -177.6 | 0 | 0 | 0 | 112.8 | L70 L86 V91 G92 V127 A130 L131 Y143 | L70-L94 HydrophobicContact CD2-CD2 3.84Å; L86-L94 HydrophobicContact CD2-CD2 3.63Å; L86-L94 HydrophobicContact CD2-CG 4.21Å; V91-L94 PolarHBondContact O-N 3.37Å; G92-L94 PolarHBondContact O-N 3.29Å; L94-V127 HydrophobicContact CD1-CG1 4.28Å; L94-V127 HydrophobicContact CD2-CG1 3.94Å; L94-V127 HydrophobicContact CD2-CG2 4.18Å; L94-A130 HydrophobicContact CD1-CB 4.27Å; L94-L131 HydrophobicContact CD1-CD2 3.53Å; L94-L131 HydrophobicContact CD1-CG 3.78Å; L94-Y143 HydrophobicContact CB-CE2 3.78Å; L94-Y143 WeakPolarHBondContact O-CE2 3.42Å |
| 95 | R | 87.4 | Confident | 77.9 | Confident | 171 Ų | 171 | 56.9 Ų | 56.9 | 65% | 0.645 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -62.1 | 149 | 178.6 | -71.3 | -179 | -176.8 | 165.2 | 2.1 | 111.1 | S67 V91 P97 H111 | S67-R95 WeakPolarHBondContact CB-O 3.25Å; V91-R95 PolarHBondContact O-N 2.95Å; R95-P97 WeakPolarHBondContact O-CD 3.49Å; R95-H111 PolarHBondContact O-CE1 3Å |
| 96 | A | 81.2 | Confident | 75.6 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 53% | 0.529 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 124.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 97 | P | 77.8 | Confident | 73.6 | Confident | 22 Ų | 22 | 62 Ų | 62 | 14% | 0.143 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 160.3 | 173.5 | -23.8 | 33.9 | 0 | 0 | 0 | 112 | E68 L71 R95 F101 P110 | E68-P97 HydrophobicContact CG-CB 3.94Å; L71-P97 HydrophobicContact CD1-CG 3.79Å; R95-P97 WeakPolarHBondContact O-CD 3.49Å; P97-F101 HydrophobicContact CB-CB 3.85Å; P97-F101 HydrophobicContact CB-CD2 4.16Å; P97-F101 HydrophobicContact CB-CG 4.15Å; P97-P110 HydrophobicContact CG-CG 3.58Å |
| 98 | A | 72.1 | Confident | 71.9 | Confident | 15 Ų | 15 | 57 Ų | 57 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 164.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E68 S100 F101 | E68-A98 VanDerWaalsContact OE1-CB 3.31Å; E68-A98 WeakPolarHBondContact OE1-CB 3.28Å; E68-A98 PolarHBondContact OE1-N 3.37Å; A98-S100 PolarHBondContact O-N 3.1Å; A98-F101 PolarHBondContact O-N 3.35Å |
| 99 | C | 57.2 | Low | 70.5 | Confident | 101 Ų | 101 | 50.1 Ų | 50.1 | 68% | 0.682 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -55.3 | -21.3 | -171.3 | -63 | 0 | 0 | 0 | 0 | 114.9 | F101 C102 | C99-F101 PolarHBondContact O-N 3.41Å; C99-F101 VanDerWaalsContact O-N 3.13Å; C99-C102 CarbonylContact O-C 3.54Å; C99-C102 PolarHBondContact O-N 3.17Å; C99-C102 VanDerWaalsContact O-N 3.16Å |
| 100 | S | 58.7 | Low | 69.9 | Low | 43 Ų | 43 | 46.9 Ų | 46.9 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -63.1 | -16.3 | 174 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | A98 | A98-S100 PolarHBondContact O-N 3.1Š|
| 101 | F | 57.5 | Low | 69.9 | Low | 14 Ų | 14 | 45.8 Ų | 45.8 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -105.3 | -3.7 | 178.5 | -67.4 | -89.1 | 0 | 0 | 0 | 113.2 | W3 F64 E68 L71 Y72 P97 A98 C99 L151 | W3-F101 HydrophobicContact CB-CD1 4.48Å; F64-F101 HydrophobicContact CD1-CE2 4.3Å; F64-F101 HydrophobicContact CD1-CZ 4.13Å; F64-F101 AromaticContact CE1-CE2 4Å; F64-F101 HydrophobicContact CE1-CE2 4Å; F64-F101 AromaticContact CE1-CZ 3.59Å; F64-F101 HydrophobicContact CE1-CZ 3.59Å; F64-F101 HydrophobicContact CZ-CZ 4.19Å; E68-F101 HydrophobicContact CB-CE2 3.93Å; E68-F101 HydrophobicContact CB-CZ 4Å; E68-F101 VanDerWaalsContact CD-CE2 3.46Å; E68-F101 HydrophobicContact CG-CD2 3.81Å; E68-F101 HydrophobicContact CG-CE2 3.48Å; E68-F101 VanDerWaalsContact CG-CE2 3.48Å; E68-F101 HydrophobicContact CG-CZ 4.06Å; L71-F101 HydrophobicContact CD1-CD1 4.36Å; Y72-F101 HydrophobicContact CE2-CE1 4.11Å; Y72-F101 HydrophobicContact CE2-CZ 4.24Å; P97-F101 HydrophobicContact CB-CB 3.85Å; P97-F101 HydrophobicContact CB-CD2 4.16Å; P97-F101 HydrophobicContact CB-CG 4.15Å; A98-F101 PolarHBondContact O-N 3.35Å; C99-F101 PolarHBondContact O-N 3.41Å; C99-F101 VanDerWaalsContact O-N 3.13Å; F101-L151 HydrophobicContact CB-CD2 4.43Å; F101-L151 WeakPolarHBondContact O-CD2 3.28Å; F101-L151 WeakPolarHBondContact O-CG 3.5Å |
| 102 | C | 54.5 | Low | 70 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | trans | -152.1 | 128 | 179.5 | -161.7 | 0 | 0 | 0 | 0 | 113 | C99 C104 S107 | C99-C102 CarbonylContact O-C 3.54Å; C99-C102 PolarHBondContact O-N 3.17Å; C99-C102 VanDerWaalsContact O-N 3.16Å; C102-C104 PolarHBondContact O-N 3.14Å; C102-C104 VanDerWaalsContact O-N 3.16Å; C102-S107 WeakPolarHBondContact SG-CB 3.47Å | ||
| 103 | C | 54.3 | Low | 70.1 | Confident | 93 Ų | 93 | 42.9 Ų | 42.9 | 63% | 0.628 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -73.4 | -0.1 | 176.6 | -49.1 | 0 | 0 | 0 | 0 | 114.2 | C150 | C103-C150 HydrophobicContact CB-CB 4.48Š|
| 104 | C | 54.9 | Low | 70.1 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -134.3 | 106.6 | -157.9 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | C102 G106 S107 C150 | C102-C104 PolarHBondContact O-N 3.14Å; C102-C104 VanDerWaalsContact O-N 3.16Å; C104-G106 PolarHBondContact O-N 3.18Å; C104-S107 PolarHBondContact O-N 2.89Å; C104-C150 HydrophobicContact CB-CB 4.38Å; C104-C150 WeakPolarHBondContact CB-SG 3.4Å; C104-C150 WeakPolarHBondContact SG-CB 3.48Å; C104-C150 CovalentContact SG-SG 2.08Å; C104-C150 PolarHBondContact SG-SG 3.28Å |
| 105 | P | 46.3 | Very low | 70.3 | Confident | 138 Ų | 138 | 42.9 Ų | 42.9 | 90% | 0.896 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 125.4 | 173.2 | -16.8 | 28.5 | 0 | 0 | 0 | 109.8 | ||
| 106 | G | 49.8 | Very low | 70.7 | Confident | 82 Ų | 82 | 34.8 Ų | 34.8 | 85% | 0.845 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | 9.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | C104 G108 | C104-G106 PolarHBondContact O-N 3.18Å; G106-G108 PolarHBondContact O-N 3.41Å |
| 107 | S | 54.9 | Low | 71.3 | Confident | 29 Ų | 29 | 34.4 Ų | 34.4 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | trans | -55.5 | 126.2 | 165 | 165.9 | 0 | 0 | 0 | 0 | 110.5 | C102 C104 G149 | C102-S107 WeakPolarHBondContact SG-CB 3.47Å; C104-S107 PolarHBondContact O-N 2.89Å; S107-G149 WeakPolarHBondContact OG-CA 3.48Å; S107-G149 PolarHBondContact OG-N 3.13Å | ||
| 108 | G | 60.8 | Low | 72.2 | Confident | 22 Ų | 22 | 36.8 Ų | 36.8 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | trans | -64.2 | -178.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G106 P110 R147 | G106-G108 PolarHBondContact O-N 3.41Å; G108-P110 WeakPolarHBondContact O-CD 3.29Å; G108-R147 VanDerWaalsContact CA-O 3.31Å; G108-R147 WeakPolarHBondContact CA-O 3.44Å; G108-R147 PolarHBondContact N-O 2.9Å; G108-R147 VanDerWaalsContact N-O 3.1Å | ||
| 109 | A | 66 | Low | 73.3 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | trans | -47.7 | 100.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H111 Y143 | A109-H111 PolarHBondContact O-N 3.35Å; A109-Y143 HydrophobicContact CB-CD1 4.22Å; A109-Y143 HydrophobicContact CB-CD2 3.5Å; A109-Y143 HydrophobicContact CB-CE1 3.92Å; A109-Y143 HydrophobicContact CB-CE2 3.1Å; A109-Y143 HydrophobicContact CB-CG 4.03Å | ||
| 110 | P | 81.4 | Confident | 75.3 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.1 | -20.5 | -177.7 | 28 | -31.2 | 0 | 0 | 0 | 112.7 | L71 P97 G108 L112 S113 V114 L151 | L71-P110 HydrophobicContact CD2-CB 4.39Å; L71-P110 HydrophobicContact CD2-CG 4.42Å; P97-P110 HydrophobicContact CG-CG 3.58Å; G108-P110 WeakPolarHBondContact O-CD 3.29Å; P110-L112 VanDerWaalsContact C-N 3.32Å; P110-L112 PolarHBondContact O-N 3.07Å; P110-S113 PolarHBondContact O-N 3.44Å; P110-S113 PolarHBondContact O-OG 3.14Å; P110-V114 WeakPolarHBondContact O-CB 3.32Å; P110-V114 VanDerWaalsContact O-CG2 3.23Å; P110-V114 WeakPolarHBondContact O-CG2 3.48Å; P110-V114 PolarHBondContact O-N 3.25Å; P110-L151 HydrophobicContact CB-CD1 3.34Å; P110-L151 HydrophobicContact CG-CD1 4.26Å |
| 111 | H | 90.9 | Very high | 77.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | -178.7 | -51.4 | 86.7 | 0 | 0 | 0 | 111.8 | S67 I74 A93 R95 A109 V114 V115 | S67-H111 PolarHBondContact O-NE2 3.2Å; I74-H111 HydrophobicContact CD1-CB 4.02Å; A93-H111 PolarHBondContact O-NE2 3.45Å; R95-H111 PolarHBondContact O-CE1 3Å; A109-H111 PolarHBondContact O-N 3.35Å; H111-V114 PolarHBondContact O-N 2.97Å; H111-V115 VanDerWaalsContact O-CB 3.31Å; H111-V115 WeakPolarHBondContact O-CB 3.47Å; H111-V115 WeakPolarHBondContact O-CG2 3.39Å; H111-V115 PolarHBondContact O-N 3.01Å |
| 112 | L | 92.3 | Very high | 79 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 179.5 | -71 | 179.9 | 0 | 0 | 0 | 111.9 | P110 V114 V115 V116 L124 V127 M128 Y143 L144 A160 L176 | P110-L112 VanDerWaalsContact C-N 3.32Å; P110-L112 PolarHBondContact O-N 3.07Å; L112-V114 VanDerWaalsContact C-N 3.32Å; L112-V114 PolarHBondContact O-N 2.74Å; L112-V115 PolarHBondContact O-N 3.29Å; L112-V116 WeakPolarHBondContact O-CB 3.13Å; L112-V116 VanDerWaalsContact O-CG2 3.26Å; L112-V116 WeakPolarHBondContact O-CG2 3.29Å; L112-V116 PolarHBondContact O-N 3.01Å; L112-L124 HydrophobicContact CD2-CD1 3.89Å; L112-V127 HydrophobicContact CD2-CG1 3.92Å; L112-M128 HydrophobicContact CD2-CE 3.6Å; L112-Y143 HydrophobicContact CD1-CD1 3.63Å; L112-Y143 HydrophobicContact CD1-CE1 3.51Å; L112-Y143 WeakPolarHBondContact CD1-O 3.21Å; L112-Y143 HydrophobicContact CD2-CE1 3.98Å; L112-Y143 HydrophobicContact CG-CD1 4.17Å; L112-Y143 HydrophobicContact CG-CE1 3.5Å; L112-Y143 VanDerWaalsContact CG-CE1 3.5Å; L112-L144 HydrophobicContact CD1-CD2 4.26Å; L112-A160 HydrophobicContact CB-CB 3.86Å; L112-L176 HydrophobicContact CD2-CD2 4.33Å |
| 113 | S | 91.4 | Very high | 81.1 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 179.2 | 60 | 0 | 0 | 0 | 0 | 111.5 | P110 V116 R117 L163 | P110-S113 PolarHBondContact O-N 3.44Å; P110-S113 PolarHBondContact O-OG 3.14Å; S113-V116 PolarHBondContact O-N 3.11Å; S113-R117 VanDerWaalsContact O-CB 3.25Å; S113-R117 WeakPolarHBondContact O-CB 3.42Å; S113-R117 PolarHBondContact O-N 3.04Å; S113-L163 VanDerWaalsContact O-CD2 3.3Å; S113-L163 WeakPolarHBondContact O-CD2 3.31Å |
| 114 | V | 92.4 | Very high | 83.1 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.4 | -43.4 | 177.4 | 177 | 0 | 0 | 0 | 0 | 111.2 | L71 I74 V75 P110 H111 L112 V116 R117 Y118 L151 | L71-V114 HydrophobicContact CD2-CB 4.29Å; L71-V114 HydrophobicContact CD2-CG2 4.09Å; I74-V114 HydrophobicContact CB-CG1 4.23Å; I74-V114 HydrophobicContact CG2-CB 4.42Å; I74-V114 HydrophobicContact CG2-CG1 3.71Å; V75-V114 HydrophobicContact CG2-CG1 3.89Å; P110-V114 WeakPolarHBondContact O-CB 3.32Å; P110-V114 VanDerWaalsContact O-CG2 3.23Å; P110-V114 WeakPolarHBondContact O-CG2 3.48Å; P110-V114 PolarHBondContact O-N 3.25Å; H111-V114 PolarHBondContact O-N 2.97Å; L112-V114 VanDerWaalsContact C-N 3.32Å; L112-V114 PolarHBondContact O-N 2.74Å; V114-V116 VanDerWaalsContact C-N 3.33Å; V114-V116 PolarHBondContact O-N 3.25Å; V114-R117 PolarHBondContact O-N 3.48Å; V114-Y118 HydrophobicContact CG1-CD2 3.74Å; V114-Y118 HydrophobicContact CG1-CE2 3.9Å; V114-Y118 VanDerWaalsContact O-CD2 3.26Å; V114-Y118 WeakPolarHBondContact O-CD2 3.5Å; V114-Y118 PolarHBondContact O-N 2.84Å; V114-L151 HydrophobicContact CG2-CD1 4.34Å |
| 115 | V | 95.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58 | -46.5 | 175.7 | 165.9 | 0 | 0 | 0 | 0 | 111 | I74 H111 L112 N119 R120 I123 L124 | I74-V115 HydrophobicContact CB-CG2 4.31Å; I74-V115 HydrophobicContact CD1-CG2 3.61Å; I74-V115 HydrophobicContact CG1-CG2 3.7Å; I74-V115 HydrophobicContact CG2-CB 4.16Å; I74-V115 HydrophobicContact CG2-CG2 3.54Å; H111-V115 VanDerWaalsContact O-CB 3.31Å; H111-V115 WeakPolarHBondContact O-CB 3.47Å; H111-V115 WeakPolarHBondContact O-CG2 3.39Å; H111-V115 PolarHBondContact O-N 3.01Å; L112-V115 PolarHBondContact O-N 3.29Å; V115-N119 PolarHBondContact O-N 3.49Å; V115-N119 VanDerWaalsContact O-N 3.12Å; V115-R120 HydrophobicContact CG1-CB 4.19Å; V115-R120 WeakPolarHBondContact CG1-O 3.15Å; V115-R120 PolarHBondContact O-N 2.91Å; V115-I123 HydrophobicContact CG2-CG2 4.24Å; V115-L124 HydrophobicContact CB-CD1 4.47Å; V115-L124 HydrophobicContact CG1-CB 3.46Å; V115-L124 VanDerWaalsContact CG1-CB 3.46Å; V115-L124 HydrophobicContact CG1-CD1 3.66Å; V115-L124 HydrophobicContact CG1-CG 4.05Å |
| 116 | V | 95.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.7 | -46.6 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L112 S113 V114 Y118 N119 A160 L163 A164 H169 C172 L176 | L112-V116 WeakPolarHBondContact O-CB 3.13Å; L112-V116 VanDerWaalsContact O-CG2 3.26Å; L112-V116 WeakPolarHBondContact O-CG2 3.29Å; L112-V116 PolarHBondContact O-N 3.01Å; S113-V116 PolarHBondContact O-N 3.11Å; V114-V116 VanDerWaalsContact C-N 3.33Å; V114-V116 PolarHBondContact O-N 3.25Å; V116-Y118 VanDerWaalsContact C-N 3.29Å; V116-Y118 PolarHBondContact O-N 3.06Å; V116-N119 PolarHBondContact O-N 3.27Å; V116-A160 HydrophobicContact CG2-CB 4.25Å; V116-L163 HydrophobicContact CB-CD2 4.37Å; V116-L163 HydrophobicContact CG1-CB 4.23Å; V116-L163 HydrophobicContact CG1-CD2 4.27Å; V116-L163 HydrophobicContact CG1-CG 3.98Å; V116-A164 VanDerWaalsContact CG1-CA 3.44Å; V116-A164 HydrophobicContact CG1-CB 3.63Å; V116-H169 PolarHBondContact O-CE1 2.87Å; V116-H169 VanDerWaalsContact O-CE1 3.26Å; V116-H169 PolarHBondContact O-ND1 3.24Å; V116-C172 HydrophobicContact CG2-CB 4.24Å; V116-L176 HydrophobicContact CG2-CD1 3.99Å |
| 117 | R | 94.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 24.6 Ų | 24.6 | 22% | 0.215 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56 | -43.7 | -179.9 | 170.3 | 169.1 | -77 | -81.8 | -4.5 | 112.5 | S113 V114 N119 H152 D155 L163 L167 | S113-R117 VanDerWaalsContact O-CB 3.25Å; S113-R117 WeakPolarHBondContact O-CB 3.42Å; S113-R117 PolarHBondContact O-N 3.04Å; V114-R117 PolarHBondContact O-N 3.48Å; R117-N119 VanDerWaalsContact C-N 3.3Å; R117-H152 PolarHBondContact NE-CD2 2.85Å; R117-H152 PolarHBondContact NH1-CD2 3.46Å; R117-D155 IonicContact CZ-OD1 2.82Å; R117-D155 IonicContact CZ-OD2 3.44Å; R117-D155 IonicContact NE-OD1 3.96Å; R117-D155 IonicContact NE-OD2 3.68Å; R117-D155 PolarHBondContact NE-OD2 2.94Å; R117-D155 IonicContact NH2-OD1 2.78Å; R117-D155 PolarHBondContact NH2-OD1 3.38Å; R117-D155 IonicContact NH2-OD2 2.77Å; R117-D155 PolarHBondContact NH2-OD2 3.5Å; R117-L163 HydrophobicContact CB-CD2 4.35Å; R117-L167 HydrophobicContact CB-CD1 4.36Å |
| 118 | Y | 95.2 | Very high | 91.5 | Very high | 72 Ų | 72 | 23.3 Ų | 23.3 | 28% | 0.282 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 10.3 | 179.4 | -66.5 | -76 | 0 | 0 | 0 | 113.3 | V75 V114 V116 R120 | V75-Y118 HydrophobicContact CB-CE2 4.4Å; V75-Y118 HydrophobicContact CG1-CE1 4.44Å; V75-Y118 HydrophobicContact CG1-CE2 4.41Å; V75-Y118 HydrophobicContact CG2-CD2 4.15Å; V75-Y118 HydrophobicContact CG2-CE2 3.69Å; V114-Y118 HydrophobicContact CG1-CD2 3.74Å; V114-Y118 HydrophobicContact CG1-CE2 3.9Å; V114-Y118 VanDerWaalsContact O-CD2 3.26Å; V114-Y118 WeakPolarHBondContact O-CD2 3.5Å; V114-Y118 PolarHBondContact O-N 2.84Å; V116-Y118 VanDerWaalsContact C-N 3.29Å; V116-Y118 PolarHBondContact O-N 3.06Å; Y118-R120 VanDerWaalsContact C-N 3.27Å; Y118-R120 WeakPolarHBondContact O-CD 3.27Å; Y118-R120 PolarHBondContact O-N 3.25Å |
| 119 | N | 96.6 | Very high | 93.1 | Very high | 76 Ų | 76 | 27 Ų | 27 | 41% | 0.406 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 41.1 | 178.9 | -161.8 | 26.2 | 0 | 0 | 0 | 113.9 | V115 V116 R117 V121 C172 | V115-N119 PolarHBondContact O-N 3.49Å; V115-N119 VanDerWaalsContact O-N 3.12Å; V116-N119 PolarHBondContact O-N 3.27Å; R117-N119 VanDerWaalsContact C-N 3.3Å; N119-V121 VanDerWaalsContact C-N 3.3Å; N119-V121 PolarHBondContact O-N 3.39Å; N119-C172 PolarHBondContact OD1-SG 3.28Å |
| 120 | R | 97.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 26.6 Ų | 26.6 | 21% | 0.211 | 14% | 0.136 | C | C | . | . | trans | -85.9 | 65.5 | -175.2 | -55.4 | -58.7 | -172.9 | -156.8 | -9.3 | 111.6 | I74 V75 D77 V115 Y118 T122 I123 L124 | I74-R120 HydrophobicContact CG2-CB 4.45Å; I74-R120 HydrophobicContact CG2-CG 3.99Å; I74-R120 WeakPolarHBondContact O-CG 3.43Å; I74-R120 PolarHBondContact O-NE 3.44Å; V75-R120 PolarHBondContact O-NH2 3.38Å; D77-R120 VanDerWaalsContact CB-CZ 3.44Å; D77-R120 VanDerWaalsContact CG-CD 3.5Å; D77-R120 IonicContact OD2-CZ 2.65Å; D77-R120 IonicContact OD2-NE 3.97Å; D77-R120 IonicContact OD2-NH1 3.57Å; D77-R120 PolarHBondContact OD2-NH1 3.01Å; V115-R120 HydrophobicContact CG1-CB 4.19Å; V115-R120 WeakPolarHBondContact CG1-O 3.15Å; V115-R120 PolarHBondContact O-N 2.91Å; Y118-R120 VanDerWaalsContact C-N 3.27Å; Y118-R120 WeakPolarHBondContact O-CD 3.27Å; Y118-R120 PolarHBondContact O-N 3.25Å; R120-T122 VanDerWaalsContact C-N 3.3Å; R120-T122 PolarHBondContact O-N 3.07Å; R120-I123 HydrophobicContact CB-CB 4.07Å; R120-I123 HydrophobicContact CB-CD1 4.21Å; R120-I123 HydrophobicContact CB-CG1 4.35Å; R120-I123 HydrophobicContact CG-CD1 4.48Å; R120-I123 PolarHBondContact O-N 3.15Å; R120-I123 VanDerWaalsContact O-N 3.11Å; R120-L124 PolarHBondContact O-N 2.89Å | ||
| 121 | V | 96.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 26.5 Ų | 26.5 | 29% | 0.291 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -54.7 | -42.5 | -173.6 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | N119 I123 L124 G125 E171 | N119-V121 VanDerWaalsContact C-N 3.3Å; N119-V121 PolarHBondContact O-N 3.39Å; V121-I123 PolarHBondContact O-N 2.83Å; V121-L124 VanDerWaalsContact O-CB 3.31Å; V121-L124 WeakPolarHBondContact O-CB 3.46Å; V121-L124 PolarHBondContact O-N 3.44Å; V121-G125 PolarHBondContact O-N 3.34Å; V121-E171 HydrophobicContact CG1-CB 4.24Å; V121-E171 HydrophobicContact CG2-CB 3.9Å |
| 122 | T | 97.8 | Very high | 94.7 | Very high | 75 Ų | 75 | 31.4 Ų | 31.4 | 46% | 0.46 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 179.1 | -46.6 | 0 | 0 | 0 | 0 | 111.8 | R120 L124 G125 M126 | R120-T122 VanDerWaalsContact C-N 3.3Å; R120-T122 PolarHBondContact O-N 3.07Å; T122-L124 VanDerWaalsContact C-N 3.32Å; T122-G125 PolarHBondContact O-N 3.31Å; T122-M126 HydrophobicContact CG2-CE 3.87Å; T122-M126 WeakPolarHBondContact O-CG 3.49Å; T122-M126 PolarHBondContact O-N 3.48Å; T122-M126 VanDerWaalsContact O-N 3.14Å |
| 123 | I | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.7 | -34.8 | 177.2 | -57.5 | 176.5 | 0 | 0 | 0 | 110.3 | I74 Q79 A82 V115 R120 V121 G125 M126 V127 | I74-I123 HydrophobicContact CG1-CG2 3.9Å; Q79-I123 HydrophobicContact CG-CD1 4.36Å; Q79-I123 HydrophobicContact CG-CG1 4.14Å; A82-I123 HydrophobicContact CB-CD1 4.05Å; A82-I123 HydrophobicContact CB-CG1 4.15Å; A82-I123 HydrophobicContact CB-CG2 3.99Å; V115-I123 HydrophobicContact CG2-CG2 4.24Å; R120-I123 HydrophobicContact CB-CB 4.07Å; R120-I123 HydrophobicContact CB-CD1 4.21Å; R120-I123 HydrophobicContact CB-CG1 4.35Å; R120-I123 HydrophobicContact CG-CD1 4.48Å; R120-I123 PolarHBondContact O-N 3.15Å; R120-I123 VanDerWaalsContact O-N 3.11Å; V121-I123 PolarHBondContact O-N 2.83Å; I123-G125 VanDerWaalsContact C-N 3.32Å; I123-G125 PolarHBondContact O-N 3.04Å; I123-M126 HydrophobicContact CB-CE 4.47Å; I123-M126 HydrophobicContact CG1-CE 3.92Å; I123-M126 WeakPolarHBondContact O-CB 3.38Å; I123-M126 PolarHBondContact O-N 2.88Å; I123-M126 VanDerWaalsContact O-N 3.17Å; I123-V127 HydrophobicContact CG2-CG2 4.41Å; I123-V127 WeakPolarHBondContact O-CG2 3.24Å; I123-V127 PolarHBondContact O-N 3.05Å |
| 124 | L | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 171.9 | -170.1 | 60.3 | 0 | 0 | 0 | 111 | L112 V115 R120 V121 T122 M126 V127 M128 C172 Q175 L176 | L112-L124 HydrophobicContact CD2-CD1 3.89Å; V115-L124 HydrophobicContact CB-CD1 4.47Å; V115-L124 HydrophobicContact CG1-CB 3.46Å; V115-L124 VanDerWaalsContact CG1-CB 3.46Å; V115-L124 HydrophobicContact CG1-CD1 3.66Å; V115-L124 HydrophobicContact CG1-CG 4.05Å; R120-L124 PolarHBondContact O-N 2.89Å; V121-L124 VanDerWaalsContact O-CB 3.31Å; V121-L124 WeakPolarHBondContact O-CB 3.46Å; V121-L124 PolarHBondContact O-N 3.44Å; T122-L124 VanDerWaalsContact C-N 3.32Å; L124-M126 VanDerWaalsContact C-N 3.32Å; L124-M126 PolarHBondContact O-N 3.46Å; L124-V127 WeakPolarHBondContact O-CB 3.42Å; L124-V127 PolarHBondContact O-N 3.23Å; L124-V127 VanDerWaalsContact O-N 3.13Å; L124-M128 HydrophobicContact CD1-CE 3.36Å; L124-M128 HydrophobicContact CG-CE 3.98Å; L124-M128 VanDerWaalsContact O-CG 3.29Å; L124-M128 WeakPolarHBondContact O-CG 3.37Å; L124-M128 PolarHBondContact O-N 3.1Å; L124-C172 HydrophobicContact CD2-CB 3.91Å; L124-Q175 HydrophobicContact CD2-CB 3.7Å; L124-Q175 HydrophobicContact CD2-CG 4.38Å; L124-Q175 HydrophobicContact CG-CB 4.28Å; L124-L176 HydrophobicContact CD1-CD2 4.35Å; L124-L176 HydrophobicContact CD2-CG 4.47Å |
| 125 | G | 96.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -45.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V121 T122 I123 V127 M128 E129 | V121-G125 PolarHBondContact O-N 3.34Å; T122-G125 PolarHBondContact O-N 3.31Å; I123-G125 VanDerWaalsContact C-N 3.32Å; I123-G125 PolarHBondContact O-N 3.04Å; G125-V127 VanDerWaalsContact C-N 3.33Å; G125-V127 PolarHBondContact O-N 3.5Å; G125-M128 PolarHBondContact O-N 2.98Å; G125-E129 WeakPolarHBondContact O-CG 3.44Å; G125-E129 PolarHBondContact O-N 3.28Å |
| 126 | M | 97.1 | Very high | 92.7 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.6 | -61.3 | -177.3 | -122.2 | 0 | 0 | 112.7 | Q79 R83 L86 T122 I123 L124 M128 E129 A130 | Q79-M126 HydrophobicContact CB-CE 3.99Å; Q79-M126 HydrophobicContact CG-CE 4.26Å; R83-M126 HydrophobicContact CB-SD 3.62Å; R83-M126 HydrophobicContact CG-SD 4.15Å; L86-M126 HydrophobicContact CD1-CB 3.49Å; L86-M126 VanDerWaalsContact CD1-CB 3.49Å; T122-M126 HydrophobicContact CG2-CE 3.87Å; T122-M126 WeakPolarHBondContact O-CG 3.49Å; T122-M126 PolarHBondContact O-N 3.48Å; T122-M126 VanDerWaalsContact O-N 3.14Å; I123-M126 HydrophobicContact CB-CE 4.47Å; I123-M126 HydrophobicContact CG1-CE 3.92Å; I123-M126 WeakPolarHBondContact O-CB 3.38Å; I123-M126 PolarHBondContact O-N 2.88Å; I123-M126 VanDerWaalsContact O-N 3.17Å; L124-M126 VanDerWaalsContact C-N 3.32Å; L124-M126 PolarHBondContact O-N 3.46Å; M126-M128 VanDerWaalsContact C-N 3.35Å; M126-E129 PolarHBondContact O-N 2.83Å; M126-A130 PolarHBondContact O-N 3.45Å |
| 127 | V | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 175 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | L86 L94 L112 I123 L124 G125 E129 A130 L131 Y143 | L86-V127 HydrophobicContact CD1-CG2 4Å; L86-V127 HydrophobicContact CD2-CG2 4.26Å; L94-V127 HydrophobicContact CD1-CG1 4.28Å; L94-V127 HydrophobicContact CD2-CG1 3.94Å; L94-V127 HydrophobicContact CD2-CG2 4.18Å; L112-V127 HydrophobicContact CD2-CG1 3.92Å; I123-V127 HydrophobicContact CG2-CG2 4.41Å; I123-V127 WeakPolarHBondContact O-CG2 3.24Å; I123-V127 PolarHBondContact O-N 3.05Å; L124-V127 WeakPolarHBondContact O-CB 3.42Å; L124-V127 PolarHBondContact O-N 3.23Å; L124-V127 VanDerWaalsContact O-N 3.13Å; G125-V127 VanDerWaalsContact C-N 3.33Å; G125-V127 PolarHBondContact O-N 3.5Å; V127-E129 VanDerWaalsContact C-N 3.31Å; V127-E129 PolarHBondContact O-N 3.15Å; V127-A130 PolarHBondContact O-N 3.45Å; V127-L131 HydrophobicContact CG1-CD1 4.24Å; V127-L131 HydrophobicContact CG1-CG 4.46Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 3.07Å; V127-Y143 HydrophobicContact CG1-CE1 4.31Å |
| 128 | M | 93.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 177.8 | -64.2 | -56.2 | 146.6 | 0 | 0 | 112.6 | L112 L124 G125 M126 L131 L144 L176 H179 | L112-M128 HydrophobicContact CD2-CE 3.6Å; L124-M128 HydrophobicContact CD1-CE 3.36Å; L124-M128 HydrophobicContact CG-CE 3.98Å; L124-M128 VanDerWaalsContact O-CG 3.29Å; L124-M128 WeakPolarHBondContact O-CG 3.37Å; L124-M128 PolarHBondContact O-N 3.1Å; G125-M128 PolarHBondContact O-N 2.98Å; M126-M128 VanDerWaalsContact C-N 3.35Å; M128-L131 PolarHBondContact O-N 3.24Å; M128-L131 HydrophobicContact SD-CD1 4.02Å; M128-L144 HydrophobicContact CE-CD2 3.78Å; M128-L144 HydrophobicContact SD-CD2 3.72Å; M128-L176 HydrophobicContact CE-CD2 3.64Å; M128-H179 HydrophobicContact CG-CB 4.34Å; M128-H179 VanDerWaalsContact CG-CD2 3.47Å; M128-H179 WeakPolarHBondContact CG-CD2 3.39Å; M128-H179 HydrophobicContact SD-CB 3.73Å |
| 129 | E | 93.2 | Very high | 91.5 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 173.1 | -69.9 | -56.6 | 124.8 | 0 | 0 | 111.6 | G125 M126 V127 L131 K132 | G125-E129 WeakPolarHBondContact O-CG 3.44Å; G125-E129 PolarHBondContact O-N 3.28Å; M126-E129 PolarHBondContact O-N 2.83Å; V127-E129 VanDerWaalsContact C-N 3.31Å; V127-E129 PolarHBondContact O-N 3.15Å; E129-L131 PolarHBondContact O-N 3.39Å; E129-K132 WeakPolarHBondContact O-CB 3.2Å; E129-K132 WeakPolarHBondContact O-CG 3.26Å; E129-K132 PolarHBondContact O-N 2.88Å; E129-K132 WeakPolarHBondContact OE1-CE 3.29Å; E129-K132 IonicContact OE1-NZ 2.78Å; E129-K132 PolarHBondContact OE1-NZ 3.23Å; E129-K132 VanDerWaalsContact OE2-CE 3.29Å; E129-K132 WeakPolarHBondContact OE2-CE 3.16Å; E129-K132 IonicContact OE2-NZ 3.7Å; E129-K132 PolarHBondContact OE2-NZ 3.06Å |
| 130 | A | 93.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 7% | 0.066 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -30.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L86 L94 M126 V127 K132 D133 | L86-A130 HydrophobicContact CB-CB 4.32Å; L86-A130 HydrophobicContact CD2-CB 3.96Å; L94-A130 HydrophobicContact CD1-CB 4.27Å; M126-A130 PolarHBondContact O-N 3.45Å; V127-A130 PolarHBondContact O-N 3.45Å; A130-K132 PolarHBondContact O-N 2.81Å; A130-D133 PolarHBondContact O-N 2.74Å |
| 131 | L | 90.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -67.8 | -11.8 | 173.5 | -74.5 | 175.2 | 0 | 0 | 0 | 113.6 | L94 V127 M128 E129 D133 C134 R140 Y143 L144 | L94-L131 HydrophobicContact CD1-CD2 3.53Å; L94-L131 HydrophobicContact CD1-CG 3.78Å; V127-L131 HydrophobicContact CG1-CD1 4.24Å; V127-L131 HydrophobicContact CG1-CG 4.46Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 3.07Å; M128-L131 PolarHBondContact O-N 3.24Å; M128-L131 HydrophobicContact SD-CD1 4.02Å; E129-L131 PolarHBondContact O-N 3.39Å; L131-D133 PolarHBondContact O-N 3.01Å; L131-C134 VanDerWaalsContact CD2-SG 3.5Å; L131-C134 WeakPolarHBondContact O-CB 3.27Å; L131-C134 PolarHBondContact O-N 3.45Å; L131-R140 HydrophobicContact CB-CG 4.29Å; L131-R140 PolarHBondContact O-NE 3.27Å; L131-R140 PolarHBondContact O-NH2 2.98Å; L131-Y143 HydrophobicContact CD1-CD1 3.59Å; L131-Y143 HydrophobicContact CD1-CE1 3.84Å; L131-Y143 HydrophobicContact CD2-CD1 3.51Å; L131-Y143 HydrophobicContact CD2-CD2 4.35Å; L131-Y143 HydrophobicContact CD2-CE1 3.86Å; L131-Y143 HydrophobicContact CD2-CG 3.78Å; L131-Y143 HydrophobicContact CG-CD1 4.14Å; L131-Y143 HydrophobicContact CG-CE1 4.28Å; L131-L144 HydrophobicContact CD1-CD2 4.11Å; L131-L144 HydrophobicContact CD1-CG 4.49Å |
| 132 | K | 88.3 | Confident | 90.4 | Very high | 103 Ų | 103 | 58.2 Ų | 58.2 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -63.9 | -34.2 | 172.1 | -66.7 | 179.9 | -177.8 | 170.1 | 0 | 111.3 | E129 A130 C134 R140 | E129-K132 WeakPolarHBondContact O-CB 3.2Å; E129-K132 WeakPolarHBondContact O-CG 3.26Å; E129-K132 PolarHBondContact O-N 2.88Å; E129-K132 WeakPolarHBondContact OE1-CE 3.29Å; E129-K132 IonicContact OE1-NZ 2.78Å; E129-K132 PolarHBondContact OE1-NZ 3.23Å; E129-K132 VanDerWaalsContact OE2-CE 3.29Å; E129-K132 WeakPolarHBondContact OE2-CE 3.16Å; E129-K132 IonicContact OE2-NZ 3.7Å; E129-K132 PolarHBondContact OE2-NZ 3.06Å; A130-K132 PolarHBondContact O-N 2.81Å; K132-C134 VanDerWaalsContact C-N 3.29Å; K132-C134 PolarHBondContact O-N 3.46Å; K132-R140 PolarHBondContact O-NH2 3.41Å; K132-R140 VanDerWaalsContact O-NH2 3.12Å |
| 133 | D | 87.1 | Confident | 90 | Very high | 114 Ų | 114 | 56 Ų | 56 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -80 | -6.8 | 178.9 | -55.7 | -27.2 | 0 | 0 | 0 | 113.5 | S90 V91 A130 L131 G135 | S90-D133 WeakPolarHBondContact OG-CB 3.11Å; S90-D133 PolarHBondContact OG-OD2 3.24Å; V91-D133 HydrophobicContact CG2-CB 4.2Å; A130-D133 PolarHBondContact O-N 2.74Å; L131-D133 PolarHBondContact O-N 3.01Å; D133-G135 PolarHBondContact O-N 2.86Å |
| 134 | C | 80.8 | Confident | 89.7 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.081 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -61.2 | 129.9 | 173.3 | -82.5 | 0 | 0 | 0 | 0 | 109.9 | V91 L131 K132 G136 | V91-C134 VanDerWaalsContact CG1-SG 3.58Å; V91-C134 HydrophobicContact CG2-CB 4.35Å; V91-C134 VanDerWaalsContact CG2-SG 3.56Å; L131-C134 VanDerWaalsContact CD2-SG 3.5Å; L131-C134 WeakPolarHBondContact O-CB 3.27Å; L131-C134 PolarHBondContact O-N 3.45Å; K132-C134 VanDerWaalsContact C-N 3.29Å; K132-C134 PolarHBondContact O-N 3.46Å; C134-G136 PolarHBondContact O-N 3.44Å |
| 135 | G | 77 | Confident | 89.4 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -62.5 | 64.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115.9 | D133 | D133-G135 PolarHBondContact O-N 2.86Š|
| 136 | G | 84.9 | Confident | 89 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 113.2 | 160 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C134 V138 K139 R140 | C134-G136 PolarHBondContact O-N 3.44Å; G136-V138 VanDerWaalsContact C-N 3.26Å; G136-V138 PolarHBondContact O-N 3.12Å; G136-K139 PolarHBondContact O-N 3.43Å; G136-R140 PolarHBondContact O-N 2.94Å |
| 137 | P | 85.8 | Confident | 88.4 | Confident | 103 Ų | 103 | 63 Ų | 63 | 67% | 0.669 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.3 | -27.7 | -179.7 | 26.2 | -34.7 | 0 | 0 | 0 | 113.4 | R141 | P137-R141 PolarHBondContact O-N 3.02Å |
| 138 | V | 87.3 | Confident | 87.2 | Confident | 98 Ų | 98 | 63.4 Ų | 63.4 | 59% | 0.594 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.9 | -52.7 | 179.3 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | G136 R140 R141 E142 | G136-V138 VanDerWaalsContact C-N 3.26Å; G136-V138 PolarHBondContact O-N 3.12Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.27Å; V138-R141 PolarHBondContact O-N 3.24Å; V138-R141 VanDerWaalsContact O-N 3.08Å; V138-E142 WeakPolarHBondContact O-CG 3.47Å; V138-E142 PolarHBondContact O-N 2.95Å |
| 139 | K | 86.9 | Confident | 86 | Confident | 124 Ų | 124 | 63.3 Ų | 63.3 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 178.5 | -69.1 | -176.6 | 179.4 | 176 | 0 | 112.4 | G136 E142 Y143 | G136-K139 PolarHBondContact O-N 3.43Å; K139-E142 PolarHBondContact O-N 2.93Å; K139-Y143 WeakPolarHBondContact O-CB 3.35Å; K139-Y143 PolarHBondContact O-N 2.88Å |
| 140 | R | 89.1 | Confident | 84.7 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 174 | -173.9 | -177 | -57.9 | 151.1 | 7.9 | 111 | L131 K132 G136 V138 Y143 L144 | L131-R140 HydrophobicContact CB-CG 4.29Å; L131-R140 PolarHBondContact O-NE 3.27Å; L131-R140 PolarHBondContact O-NH2 2.98Å; K132-R140 PolarHBondContact O-NH2 3.41Å; K132-R140 VanDerWaalsContact O-NH2 3.12Å; G136-R140 PolarHBondContact O-N 2.94Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.27Å; R140-Y143 WeakPolarHBondContact O-CB 3.41Å; R140-Y143 PolarHBondContact O-N 3.4Å; R140-L144 HydrophobicContact CG-CD1 4.13Å; R140-L144 WeakPolarHBondContact O-CG 3.5Å; R140-L144 PolarHBondContact O-N 2.95Å |
| 141 | R | 88.9 | Confident | 83.5 | Confident | 140 Ų | 140 | 61.9 Ų | 61.9 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.6 | 180 | 166 | -93 | 169.3 | -5 | 112.2 | P137 V138 Y143 L144 D145 G180 | P137-R141 PolarHBondContact O-N 3.02Å; V138-R141 PolarHBondContact O-N 3.24Å; V138-R141 VanDerWaalsContact O-N 3.08Å; R141-Y143 PolarHBondContact O-N 2.87Å; R141-L144 PolarHBondContact O-N 3.42Å; R141-D145 WeakPolarHBondContact CG-OD2 3.36Å; R141-D145 WeakPolarHBondContact O-CB 3.25Å; R141-D145 PolarHBondContact O-N 3.28Å; R141-G180 PolarHBondContact NH2-O 3.32Å |
| 142 | E | 89.4 | Confident | 82.5 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -56.8 | -38.7 | 173.9 | -72.8 | 171.2 | 179.9 | 0 | 0 | 112.2 | V138 K139 G146 | V138-E142 WeakPolarHBondContact O-CG 3.47Å; V138-E142 PolarHBondContact O-N 2.95Å; K139-E142 PolarHBondContact O-N 2.93Å; E142-G146 WeakPolarHBondContact O-CA 3.26Å; E142-G146 PolarHBondContact O-N 3.47Å; E142-G146 VanDerWaalsContact O-N 3.1Å |
| 143 | Y | 89.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.2 | -48.4 | 175.8 | -172.9 | -88.7 | 0 | 0 | 0 | 112.3 | L94 A109 L112 V127 L131 K139 R140 R141 G146 | L94-Y143 HydrophobicContact CB-CE2 3.78Å; L94-Y143 WeakPolarHBondContact O-CE2 3.42Å; A109-Y143 HydrophobicContact CB-CD1 4.22Å; A109-Y143 HydrophobicContact CB-CD2 3.5Å; A109-Y143 HydrophobicContact CB-CE1 3.92Å; A109-Y143 HydrophobicContact CB-CE2 3.1Å; A109-Y143 HydrophobicContact CB-CG 4.03Å; L112-Y143 HydrophobicContact CD1-CD1 3.63Å; L112-Y143 HydrophobicContact CD1-CE1 3.51Å; L112-Y143 WeakPolarHBondContact CD1-O 3.21Å; L112-Y143 HydrophobicContact CD2-CE1 3.98Å; L112-Y143 HydrophobicContact CG-CD1 4.17Å; L112-Y143 HydrophobicContact CG-CE1 3.5Å; L112-Y143 VanDerWaalsContact CG-CE1 3.5Å; V127-Y143 HydrophobicContact CG1-CE1 4.31Å; L131-Y143 HydrophobicContact CD1-CD1 3.59Å; L131-Y143 HydrophobicContact CD1-CE1 3.84Å; L131-Y143 HydrophobicContact CD2-CD1 3.51Å; L131-Y143 HydrophobicContact CD2-CD2 4.35Å; L131-Y143 HydrophobicContact CD2-CE1 3.86Å; L131-Y143 HydrophobicContact CD2-CG 3.78Å; L131-Y143 HydrophobicContact CG-CD1 4.14Å; L131-Y143 HydrophobicContact CG-CE1 4.28Å; K139-Y143 WeakPolarHBondContact O-CB 3.35Å; K139-Y143 PolarHBondContact O-N 2.88Å; R140-Y143 WeakPolarHBondContact O-CB 3.41Å; R140-Y143 PolarHBondContact O-N 3.4Å; R141-Y143 PolarHBondContact O-N 2.87Å; Y143-G146 PolarHBondContact O-N 2.8Å |
| 144 | L | 91.5 | Very high | 81.3 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | -178.7 | -72.7 | 171 | 0 | 0 | 0 | 113.1 | L112 M128 L131 R140 R141 G146 L176 H179 A181 | L112-L144 HydrophobicContact CD1-CD2 4.26Å; M128-L144 HydrophobicContact CE-CD2 3.78Å; M128-L144 HydrophobicContact SD-CD2 3.72Å; L131-L144 HydrophobicContact CD1-CD2 4.11Å; L131-L144 HydrophobicContact CD1-CG 4.49Å; R140-L144 HydrophobicContact CG-CD1 4.13Å; R140-L144 WeakPolarHBondContact O-CG 3.5Å; R140-L144 PolarHBondContact O-N 2.95Å; R141-L144 PolarHBondContact O-N 3.42Å; L144-G146 VanDerWaalsContact C-N 3.26Å; L144-L176 HydrophobicContact CD2-CD2 4.26Å; L144-H179 VanDerWaalsContact CD1-O 3.25Å; L144-H179 WeakPolarHBondContact CD1-O 3.31Å; L144-A181 HydrophobicContact CB-CB 4.16Å |
| 145 | D | 91.1 | Very high | 81.2 | Confident | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3.9 | -179.8 | -60.8 | -27.8 | 0 | 0 | 0 | 112 | R141 R182 | R141-D145 WeakPolarHBondContact CG-OD2 3.36Å; R141-D145 WeakPolarHBondContact O-CB 3.25Å; R141-D145 PolarHBondContact O-N 3.28Å; D145-R182 WeakPolarHBondContact OD1-CG 3.19Å; D145-R182 PolarHBondContact OD1-N 3.44Å; D145-R182 WeakPolarHBondContact OD2-CD 3.49Å; D145-R182 VanDerWaalsContact OD2-CG 3.27Å; D145-R182 WeakPolarHBondContact OD2-CG 3.16Å |
| 146 | G | 87.6 | Confident | 81.4 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 136.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E142 Y143 L144 | E142-G146 WeakPolarHBondContact O-CA 3.26Å; E142-G146 PolarHBondContact O-N 3.47Å; E142-G146 VanDerWaalsContact O-N 3.1Å; Y143-G146 PolarHBondContact O-N 2.8Å; L144-G146 VanDerWaalsContact C-N 3.26Å |
| 147 | R | 84.6 | Confident | 81.3 | Confident | 142 Ų | 142 | 60.4 Ų | 60.4 | 54% | 0.536 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -80.8 | 136.1 | 176.3 | -68.3 | 178.7 | -177.5 | -88.1 | -1.6 | 110.3 | G108 G157 T159 | G108-R147 VanDerWaalsContact CA-O 3.31Å; G108-R147 WeakPolarHBondContact CA-O 3.44Å; G108-R147 PolarHBondContact N-O 2.9Å; G108-R147 VanDerWaalsContact N-O 3.1Å; R147-G157 VanDerWaalsContact CD-O 3.28Å; R147-G157 WeakPolarHBondContact CD-O 3.47Å; R147-G157 WeakPolarHBondContact CG-O 3.49Å; R147-G157 PolarHBondContact NH1-O 2.88Å; R147-T159 HydrophobicContact CG-CG2 4.3Å |
| 148 | G | 72.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 144.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G157 K158 | G148-G157 PolarHBondContact O-N 3.19Å; G148-G157 VanDerWaalsContact O-N 3.12Å; G148-K158 PolarHBondContact N-O 2.99Å |
| 149 | G | 68.1 | Low | 81.6 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | trans | -77.8 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S107 L151 | S107-G149 WeakPolarHBondContact OG-CA 3.48Å; S107-G149 PolarHBondContact OG-N 3.13Å; G149-L151 PolarHBondContact O-N 3.5Å | ||
| 150 | C | 65.8 | Low | 81.9 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 9.5 | -178.5 | -56.4 | 0 | 0 | 0 | 0 | 113.9 | C103 C104 | C103-C150 HydrophobicContact CB-CB 4.48Å; C104-C150 HydrophobicContact CB-CB 4.38Å; C104-C150 WeakPolarHBondContact CB-SG 3.4Å; C104-C150 WeakPolarHBondContact SG-CB 3.48Å; C104-C150 CovalentContact SG-SG 2.08Å; C104-C150 PolarHBondContact SG-SG 3.28Å |
| 151 | L | 66.3 | Low | 82.2 | Confident | 29 Ų | 29 | 44 Ų | 44 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -47.8 | 179.9 | -83.5 | 161.3 | 0 | 0 | 0 | 111.9 | W3 L71 F101 P110 V114 G149 | W3-L151 HydrophobicContact CB-CD2 4.4Å; W3-L151 HydrophobicContact CD2-CD2 3.96Å; W3-L151 HydrophobicContact CE3-CB 4.04Å; W3-L151 HydrophobicContact CE3-CD2 3.39Å; W3-L151 HydrophobicContact CE3-CG 4.32Å; W3-L151 HydrophobicContact CG-CD2 4.41Å; W3-L151 HydrophobicContact CZ3-CB 3.69Å; W3-L151 HydrophobicContact CZ3-CD2 3.87Å; W3-L151 HydrophobicContact CZ3-CG 4.37Å; W3-L151 VanDerWaalsContact CZ3-O 3.26Å; W3-L151 WeakPolarHBondContact CZ3-O 3.38Å; L71-L151 HydrophobicContact CD1-CD1 4.37Å; F101-L151 HydrophobicContact CB-CD2 4.43Å; F101-L151 WeakPolarHBondContact O-CD2 3.28Å; F101-L151 WeakPolarHBondContact O-CG 3.5Å; P110-L151 HydrophobicContact CB-CD1 3.34Å; P110-L151 HydrophobicContact CG-CD1 4.26Å; V114-L151 HydrophobicContact CG2-CD1 4.34Å; G149-L151 PolarHBondContact O-N 3.5Å |
| 152 | H | 69.9 | Low | 82.5 | Confident | 53 Ų | 53 | 39.2 Ų | 39.2 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -113.7 | 117 | 169.1 | -98.2 | 74 | 0 | 0 | 0 | 107.7 | W3 R117 A154 D155 A156 | W3-H152 AromaticContact CH2-CE1 3.3Å; W3-H152 WeakPolarHBondContact CH2-CE1 3.46Å; W3-H152 AromaticContact CH2-ND1 3.19Å; W3-H152 WeakPolarHBondContact CH2-ND1 3.31Å; W3-H152 AromaticContact CZ3-CE1 3.7Å; W3-H152 AromaticContact CZ3-ND1 3.27Å; W3-H152 VanDerWaalsContact CZ3-ND1 3.27Å; W3-H152 WeakPolarHBondContact CZ3-ND1 3.29Å; R117-H152 PolarHBondContact NE-CD2 2.85Å; R117-H152 PolarHBondContact NH1-CD2 3.46Å; H152-A154 PolarHBondContact O-N 3.38Å; H152-A154 VanDerWaalsContact O-N 3.12Å; H152-D155 HydrophobicContact CB-CB 4.1Å; H152-D155 VanDerWaalsContact CB-OD2 3.31Å; H152-D155 WeakPolarHBondContact CB-OD2 3.46Å; H152-D155 IonicContact CG-OD2 3.7Å; H152-D155 PolarHBondContact O-N 3.45Å; H152-A156 PolarHBondContact O-N 3.13Å |
| 153 | A | 71.7 | Confident | 82.8 | Confident | 93 Ų | 93 | 33.3 Ų | 33.3 | 77% | 0.769 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -55.6 | -33.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D155 A156 | A153-D155 VanDerWaalsContact C-N 3.25Å; A153-D155 PolarHBondContact O-N 2.98Å; A153-A156 PolarHBondContact O-N 3.28Å |
| 154 | A | 77.9 | Confident | 83.1 | Confident | 61 Ų | 61 | 32 Ų | 32 | 50% | 0.504 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -67.7 | -21.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H152 K158 | H152-A154 PolarHBondContact O-N 3.38Å; H152-A154 VanDerWaalsContact O-N 3.12Å; A154-K158 VanDerWaalsContact O-CE 3.24Å; A154-K158 WeakPolarHBondContact O-CE 3.26Å; A154-K158 PolarHBondContact O-NZ 2.91Å |
| 155 | D | 80.6 | Confident | 83.4 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -99.7 | -8.7 | -178.7 | -62.9 | -20.2 | 0 | 0 | 0 | 113.4 | R117 H152 A153 G157 K158 L163 | R117-D155 IonicContact CZ-OD1 2.82Å; R117-D155 IonicContact CZ-OD2 3.44Å; R117-D155 IonicContact NE-OD1 3.96Å; R117-D155 IonicContact NE-OD2 3.68Å; R117-D155 PolarHBondContact NE-OD2 2.94Å; R117-D155 IonicContact NH2-OD1 2.78Å; R117-D155 PolarHBondContact NH2-OD1 3.38Å; R117-D155 IonicContact NH2-OD2 2.77Å; R117-D155 PolarHBondContact NH2-OD2 3.5Å; H152-D155 HydrophobicContact CB-CB 4.1Å; H152-D155 VanDerWaalsContact CB-OD2 3.31Å; H152-D155 WeakPolarHBondContact CB-OD2 3.46Å; H152-D155 IonicContact CG-OD2 3.7Å; H152-D155 PolarHBondContact O-N 3.45Å; A153-D155 VanDerWaalsContact C-N 3.25Å; A153-D155 PolarHBondContact O-N 2.98Å; D155-G157 PolarHBondContact O-N 3.3Å; D155-G157 VanDerWaalsContact O-N 3.15Å; D155-K158 WeakPolarHBondContact O-CB 3.41Å; D155-K158 PolarHBondContact O-N 3.36Å; D155-L163 WeakPolarHBondContact OD1-CD1 3.31Å |
| 156 | A | 80.6 | Confident | 83.6 | Confident | 48 Ų | 48 | 33.3 Ų | 33.3 | 40% | 0.397 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 123.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H152 A153 K158 | H152-A156 PolarHBondContact O-N 3.13Å; A153-A156 PolarHBondContact O-N 3.28Å; A156-K158 VanDerWaalsContact C-N 3.28Å; A156-K158 PolarHBondContact O-N 2.87Å |
| 157 | G | 81.9 | Confident | 83.9 | Confident | 33 Ų | 33 | 34.8 Ų | 34.8 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | -2.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R147 G148 D155 | R147-G157 VanDerWaalsContact CD-O 3.28Å; R147-G157 WeakPolarHBondContact CD-O 3.47Å; R147-G157 WeakPolarHBondContact CG-O 3.49Å; R147-G157 PolarHBondContact NH1-O 2.88Å; G148-G157 PolarHBondContact O-N 3.19Å; G148-G157 VanDerWaalsContact O-N 3.12Å; D155-G157 PolarHBondContact O-N 3.3Å; D155-G157 VanDerWaalsContact O-N 3.15Å |
| 158 | K | 88.1 | Confident | 84.5 | Confident | 50 Ų | 50 | 28.5 Ų | 28.5 | 22% | 0.217 | 19% | 0.187 | C | C | . | . | trans | -84.1 | 145.3 | 176 | -62.7 | 178.7 | -177.1 | 165.3 | 0 | 111.2 | G148 A154 D155 A156 Q162 E166 | G148-K158 PolarHBondContact N-O 2.99Å; A154-K158 VanDerWaalsContact O-CE 3.24Å; A154-K158 WeakPolarHBondContact O-CE 3.26Å; A154-K158 PolarHBondContact O-NZ 2.91Å; D155-K158 WeakPolarHBondContact O-CB 3.41Å; D155-K158 PolarHBondContact O-N 3.36Å; A156-K158 VanDerWaalsContact C-N 3.28Å; A156-K158 PolarHBondContact O-N 2.87Å; K158-Q162 HydrophobicContact CB-CB 4.32Å; K158-E166 WeakPolarHBondContact CD-OE2 3.36Å; K158-E166 WeakPolarHBondContact CE-OE2 3.39Å; K158-E166 IonicContact NZ-OE1 3.55Å; K158-E166 PolarHBondContact NZ-OE1 3.34Å; K158-E166 IonicContact NZ-OE2 3.76Å; K158-E166 PolarHBondContact NZ-OE2 2.99Å | ||
| 159 | T | 91.9 | Very high | 85.6 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 161.2 | 167.5 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | R147 V161 Q162 L163 D184 | R147-T159 HydrophobicContact CG-CG2 4.3Å; T159-V161 PolarHBondContact O-N 3.23Å; T159-Q162 PolarHBondContact O-N 3.32Å; T159-Q162 WeakPolarHBondContact OG1-CB 3.36Å; T159-Q162 VanDerWaalsContact OG1-CG 3.28Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.46Å; T159-Q162 PolarHBondContact OG1-N 2.86Å; T159-Q162 VanDerWaalsContact OG1-N 3.13Å; T159-L163 PolarHBondContact O-N 2.88Å; T159-D184 VanDerWaalsContact CG2-OD2 3.31Å; T159-D184 WeakPolarHBondContact CG2-OD2 3.24Å; T159-D184 PolarHBondContact OG1-OD1 3.23Å; T159-D184 PolarHBondContact OG1-OD2 2.99Å |
| 160 | A | 93.7 | Very high | 86.9 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -33 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L112 V116 L163 A164 L176 | L112-A160 HydrophobicContact CB-CB 3.86Å; V116-A160 HydrophobicContact CG2-CB 4.25Å; A160-L163 PolarHBondContact O-N 3.05Å; A160-A164 WeakPolarHBondContact O-CB 3.46Å; A160-A164 PolarHBondContact O-N 3.18Å; A160-L176 HydrophobicContact CB-CD1 3.84Å; A160-L176 HydrophobicContact CB-CD2 4.12Å |
| 161 | V | 95.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -50.3 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | T159 L163 A164 V165 L173 L176 A181 D184 L211 | T159-V161 PolarHBondContact O-N 3.23Å; V161-L163 VanDerWaalsContact C-N 3.27Å; V161-L163 PolarHBondContact O-N 2.99Å; V161-A164 PolarHBondContact O-N 3.42Å; V161-V165 VanDerWaalsContact O-CG2 3.27Å; V161-V165 WeakPolarHBondContact O-CG2 3.48Å; V161-V165 PolarHBondContact O-N 3.05Å; V161-L173 HydrophobicContact CB-CD1 4.37Å; V161-L173 HydrophobicContact CG1-CD1 3.62Å; V161-L176 HydrophobicContact CG2-CB 4.07Å; V161-L176 HydrophobicContact CG2-CD1 4.14Å; V161-A181 HydrophobicContact CG2-CB 3.72Å; V161-D184 WeakPolarHBondContact CB-OD1 3.08Å; V161-D184 WeakPolarHBondContact CG1-O 3.21Å; V161-D184 WeakPolarHBondContact CG1-OD1 3.34Å; V161-L211 HydrophobicContact CG1-CD2 4.02Å |
| 162 | Q | 94.6 | Very high | 89.8 | Confident | 39 Ų | 39 | 30.8 Ų | 30.8 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.7 | -42.8 | 175.4 | -74.1 | 175.4 | -28.9 | 0 | 0 | 111.9 | K158 T159 V165 E166 | K158-Q162 HydrophobicContact CB-CB 4.32Å; T159-Q162 PolarHBondContact O-N 3.32Å; T159-Q162 WeakPolarHBondContact OG1-CB 3.36Å; T159-Q162 VanDerWaalsContact OG1-CG 3.28Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.46Å; T159-Q162 PolarHBondContact OG1-N 2.86Å; T159-Q162 VanDerWaalsContact OG1-N 3.13Å; Q162-V165 PolarHBondContact O-N 3.19Å; Q162-E166 WeakPolarHBondContact O-CB 3.45Å; Q162-E166 PolarHBondContact O-N 3.32Å |
| 163 | L | 94.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 178.1 | -175.5 | 58.5 | 0 | 0 | 0 | 112.4 | S113 V116 R117 D155 T159 A160 V161 V165 E166 L167 | S113-L163 VanDerWaalsContact O-CD2 3.3Å; S113-L163 WeakPolarHBondContact O-CD2 3.31Å; V116-L163 HydrophobicContact CB-CD2 4.37Å; V116-L163 HydrophobicContact CG1-CB 4.23Å; V116-L163 HydrophobicContact CG1-CD2 4.27Å; V116-L163 HydrophobicContact CG1-CG 3.98Å; R117-L163 HydrophobicContact CB-CD2 4.35Å; D155-L163 WeakPolarHBondContact OD1-CD1 3.31Å; T159-L163 PolarHBondContact O-N 2.88Å; A160-L163 PolarHBondContact O-N 3.05Å; V161-L163 VanDerWaalsContact C-N 3.27Å; V161-L163 PolarHBondContact O-N 2.99Å; L163-V165 VanDerWaalsContact C-N 3.26Å; L163-V165 PolarHBondContact O-N 3.01Å; L163-E166 PolarHBondContact O-N 3.26Å; L163-L167 HydrophobicContact CD1-CD1 3.73Å; L163-L167 HydrophobicContact CD1-CG 3.99Å; L163-L167 HydrophobicContact CG-CD1 3.94Å; L163-L167 HydrophobicContact CG-CG 4.48Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 WeakPolarHBondContact O-CG 3.04Å; L163-L167 PolarHBondContact O-N 2.78Å |
| 164 | A | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V116 A160 V161 S168 H169 C172 L173 L176 | V116-A164 VanDerWaalsContact CG1-CA 3.44Å; V116-A164 HydrophobicContact CG1-CB 3.63Å; A160-A164 WeakPolarHBondContact O-CB 3.46Å; A160-A164 PolarHBondContact O-N 3.18Å; V161-A164 PolarHBondContact O-N 3.42Å; A164-S168 PolarHBondContact O-N 3.46Å; A164-S168 VanDerWaalsContact O-N 3.15Å; A164-H169 PolarHBondContact O-N 3.12Å; A164-C172 HydrophobicContact CB-CB 4.48Å; A164-L173 HydrophobicContact CB-CB 3.95Å; A164-L173 HydrophobicContact CB-CD1 4.5Å; A164-L176 HydrophobicContact CB-CD1 4.46Å |
| 165 | V | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.9 | -48.2 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | V161 Q162 L163 L167 S168 L173 V188 A189 L211 | V161-V165 VanDerWaalsContact O-CG2 3.27Å; V161-V165 WeakPolarHBondContact O-CG2 3.48Å; V161-V165 PolarHBondContact O-N 3.05Å; Q162-V165 PolarHBondContact O-N 3.19Å; L163-V165 VanDerWaalsContact C-N 3.26Å; L163-V165 PolarHBondContact O-N 3.01Å; V165-L167 VanDerWaalsContact C-N 3.29Å; V165-L167 PolarHBondContact O-N 3.3Å; V165-S168 PolarHBondContact O-N 3.08Å; V165-S168 VanDerWaalsContact O-N 3.07Å; V165-L173 HydrophobicContact CG2-CD1 4.12Å; V165-L173 HydrophobicContact CG2-CD2 3.98Å; V165-V188 HydrophobicContact CG1-CB 4.16Å; V165-V188 HydrophobicContact CG1-CG1 4.07Å; V165-A189 HydrophobicContact CG1-CB 3.48Å; V165-A189 VanDerWaalsContact CG1-CB 3.48Å; V165-A189 VanDerWaalsContact CG1-N 3.31Å; V165-L211 HydrophobicContact CG1-CD1 4.43Å; V165-L211 HydrophobicContact CG2-CD1 3.74Å; V165-L211 HydrophobicContact CG2-CD2 4.37Å; V165-L211 HydrophobicContact CG2-CG 4.24Å |
| 166 | E | 95.1 | Very high | 93.6 | Very high | 62 Ų | 62 | 25.1 Ų | 25.1 | 29% | 0.29 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 179.4 | -176.2 | 174.6 | 157 | 0 | 0 | 112.1 | K158 Q162 L163 S168 V188 R192 | K158-E166 WeakPolarHBondContact CD-OE2 3.36Å; K158-E166 WeakPolarHBondContact CE-OE2 3.39Å; K158-E166 IonicContact NZ-OE1 3.55Å; K158-E166 PolarHBondContact NZ-OE1 3.34Å; K158-E166 IonicContact NZ-OE2 3.76Å; K158-E166 PolarHBondContact NZ-OE2 2.99Å; Q162-E166 WeakPolarHBondContact O-CB 3.45Å; Q162-E166 PolarHBondContact O-N 3.32Å; L163-E166 PolarHBondContact O-N 3.26Å; E166-S168 VanDerWaalsContact C-N 3.28Å; E166-S168 PolarHBondContact O-N 3.35Å; E166-V188 HydrophobicContact CB-CG1 3.97Å; E166-R192 WeakPolarHBondContact O-CD 3.45Å; E166-R192 PolarHBondContact O-NE 3.35Å |
| 167 | L | 94.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 23 Ų | 23 | 26% | 0.257 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1 | 178.6 | -60.4 | 178.2 | 0 | 0 | 0 | 113.6 | R117 L163 V165 H169 | R117-L167 HydrophobicContact CB-CD1 4.36Å; L163-L167 HydrophobicContact CD1-CD1 3.73Å; L163-L167 HydrophobicContact CD1-CG 3.99Å; L163-L167 HydrophobicContact CG-CD1 3.94Å; L163-L167 HydrophobicContact CG-CG 4.48Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 WeakPolarHBondContact O-CG 3.04Å; L163-L167 PolarHBondContact O-N 2.78Å; V165-L167 VanDerWaalsContact C-N 3.29Å; V165-L167 PolarHBondContact O-N 3.3Å; L167-H169 PolarHBondContact O-CD2 2.92Å; L167-H169 PolarHBondContact O-N 3.12Å |
| 168 | S | 96.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 47.2 | -175.7 | -57.4 | 0 | 0 | 0 | 0 | 112.9 | A164 V165 E166 P170 R192 Q203 | A164-S168 PolarHBondContact O-N 3.46Å; A164-S168 VanDerWaalsContact O-N 3.15Å; V165-S168 PolarHBondContact O-N 3.08Å; V165-S168 VanDerWaalsContact O-N 3.07Å; E166-S168 VanDerWaalsContact C-N 3.28Å; E166-S168 PolarHBondContact O-N 3.35Å; S168-P170 VanDerWaalsContact C-CD 3.42Å; S168-P170 WeakPolarHBondContact O-CD 3.39Å; S168-R192 PolarHBondContact OG-NE 3.29Å; S168-Q203 WeakPolarHBondContact O-CB 3.35Å |
| 169 | H | 96.9 | Very high | 94.7 | Very high | 35 Ų | 35 | 26.4 Ų | 26.4 | 16% | 0.162 | 13% | 0.131 | C | C | . | . | trans | -103 | 79.2 | 177.1 | -67.2 | 176.9 | 0 | 0 | 0 | 111.2 | V116 A164 L167 E171 C172 L173 | V116-H169 PolarHBondContact O-CE1 2.87Å; V116-H169 VanDerWaalsContact O-CE1 3.26Å; V116-H169 PolarHBondContact O-ND1 3.24Å; A164-H169 PolarHBondContact O-N 3.12Å; L167-H169 PolarHBondContact O-CD2 2.92Å; L167-H169 PolarHBondContact O-N 3.12Å; H169-E171 VanDerWaalsContact C-N 3.35Å; H169-E171 PolarHBondContact O-N 2.84Å; H169-C172 HydrophobicContact CB-CB 4.15Å; H169-C172 PolarHBondContact O-N 2.65Å; H169-L173 PolarHBondContact O-N 3.34Å | ||
| 170 | P | 95.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 7% | 0.071 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -33.8 | -171.4 | 25.4 | -36.1 | 0 | 0 | 0 | 113.5 | S168 L173 L174 Q203 R206 F210 | S168-P170 VanDerWaalsContact C-CD 3.42Å; S168-P170 WeakPolarHBondContact O-CD 3.39Å; P170-L173 PolarHBondContact O-N 2.65Å; P170-L174 WeakPolarHBondContact O-CB 3.41Å; P170-L174 PolarHBondContact O-N 3.36Å; P170-Q203 HydrophobicContact CG-CB 4.27Å; P170-Q203 HydrophobicContact CG-CG 4.37Å; P170-R206 HydrophobicContact CB-CB 3.77Å; P170-R206 HydrophobicContact CG-CB 4.32Å; P170-F210 HydrophobicContact CB-CD2 4.2Å; P170-F210 HydrophobicContact CB-CE2 3.85Å; P170-F210 WeakPolarHBondContact O-CE2 3.28Å |
| 171 | E | 95.9 | Very high | 94.5 | Very high | 87 Ų | 87 | 27.6 Ų | 27.6 | 41% | 0.407 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -69.5 | -41.8 | -179.9 | -57.1 | -52 | 142.4 | 0 | 0 | 111.8 | V121 H169 L173 L174 Q175 | V121-E171 HydrophobicContact CG1-CB 4.24Å; V121-E171 HydrophobicContact CG2-CB 3.9Å; H169-E171 VanDerWaalsContact C-N 3.35Å; H169-E171 PolarHBondContact O-N 2.84Å; E171-L173 VanDerWaalsContact C-N 3.34Å; E171-L174 PolarHBondContact O-N 3.48Å; E171-Q175 WeakPolarHBondContact O-CG 3.42Å; E171-Q175 PolarHBondContact O-N 2.89Å; E171-Q175 VanDerWaalsContact O-N 3.11Å |
| 172 | C | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 172 | -73.7 | 0 | 0 | 0 | 0 | 111.5 | V116 N119 L124 A164 H169 Q175 L176 | V116-C172 HydrophobicContact CG2-CB 4.24Å; N119-C172 PolarHBondContact OD1-SG 3.28Å; L124-C172 HydrophobicContact CD2-CB 3.91Å; A164-C172 HydrophobicContact CB-CB 4.48Å; H169-C172 HydrophobicContact CB-CB 4.15Å; H169-C172 PolarHBondContact O-N 2.65Å; C172-Q175 PolarHBondContact O-N 3.08Å; C172-L176 VanDerWaalsContact O-CG 3.32Å; C172-L176 WeakPolarHBondContact O-CG 3.48Å; C172-L176 PolarHBondContact O-N 2.86Å; C172-L176 VanDerWaalsContact O-N 3.07Å |
| 173 | L | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 177.3 | 176.5 | 64 | 0 | 0 | 0 | 111.5 | V161 A164 V165 H169 P170 E171 Q175 L176 L177 C207 F210 L211 | V161-L173 HydrophobicContact CB-CD1 4.37Å; V161-L173 HydrophobicContact CG1-CD1 3.62Å; A164-L173 HydrophobicContact CB-CB 3.95Å; A164-L173 HydrophobicContact CB-CD1 4.5Å; V165-L173 HydrophobicContact CG2-CD1 4.12Å; V165-L173 HydrophobicContact CG2-CD2 3.98Å; H169-L173 PolarHBondContact O-N 3.34Å; P170-L173 PolarHBondContact O-N 2.65Å; E171-L173 VanDerWaalsContact C-N 3.34Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; L173-Q175 PolarHBondContact O-N 3Å; L173-L176 WeakPolarHBondContact O-CB 3.32Å; L173-L176 PolarHBondContact O-N 2.92Å; L173-L177 HydrophobicContact CD1-CD1 3.87Å; L173-L177 HydrophobicContact CD1-CD2 4.47Å; L173-L177 HydrophobicContact CD1-CG 4Å; L173-L177 HydrophobicContact CD2-CD1 4.45Å; L173-L177 HydrophobicContact CG-CD1 3.82Å; L173-L177 HydrophobicContact CG-CG 4.31Å; L173-L177 VanDerWaalsContact O-CG 3.29Å; L173-L177 WeakPolarHBondContact O-CG 3.3Å; L173-L177 PolarHBondContact O-N 2.89Å; L173-C207 HydrophobicContact CD2-CB 3.77Å; L173-C207 WeakPolarHBondContact CD2-O 3.11Å; L173-F210 HydrophobicContact CD2-CB 4.11Å; L173-L211 HydrophobicContact CD1-CD2 4.19Å; L173-L211 HydrophobicContact CD2-CG 4.25Å |
| 174 | L | 94 | Very high | 93.9 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 19% | 0.194 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | -179.3 | -178.5 | 60.9 | 0 | 0 | 0 | 111.6 | P170 E171 L176 L177 I178 F210 F214 | P170-L174 WeakPolarHBondContact O-CB 3.41Å; P170-L174 PolarHBondContact O-N 3.36Å; E171-L174 PolarHBondContact O-N 3.48Å; L174-L176 PolarHBondContact O-N 3.3Å; L174-L177 PolarHBondContact O-N 3.34Å; L174-I178 HydrophobicContact CD1-CD1 3.72Å; L174-I178 HydrophobicContact CD1-CG1 3.99Å; L174-I178 HydrophobicContact CD2-CD1 4.32Å; L174-I178 HydrophobicContact CG-CD1 3.68Å; L174-I178 HydrophobicContact CG-CG1 4.32Å; L174-I178 WeakPolarHBondContact O-CB 3.26Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.35Å; L174-F210 HydrophobicContact CB-CD2 3.95Å; L174-F210 HydrophobicContact CB-CE2 3.77Å; L174-F210 HydrophobicContact CB-CZ 4.26Å; L174-F210 HydrophobicContact CD1-CD1 4.1Å; L174-F210 HydrophobicContact CD1-CD2 4.45Å; L174-F210 HydrophobicContact CD1-CE1 4.1Å; L174-F210 HydrophobicContact CD1-CE2 4.44Å; L174-F210 HydrophobicContact CD1-CG 4.29Å; L174-F210 HydrophobicContact CD1-CZ 4.27Å; L174-F210 HydrophobicContact CD2-CE1 4.31Å; L174-F210 HydrophobicContact CD2-CE2 4.18Å; L174-F210 HydrophobicContact CD2-CZ 3.85Å; L174-F210 HydrophobicContact CG-CE2 4.34Å; L174-F210 HydrophobicContact CG-CZ 4.35Å; L174-F214 HydrophobicContact CD1-CE2 4.03Å; L174-F214 HydrophobicContact CD1-CZ 4.42Å |
| 175 | Q | 93.4 | Very high | 93.6 | Very high | 56 Ų | 56 | 36.7 Ų | 36.7 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 175.5 | -72.5 | -70 | -58.8 | 0 | 0 | 111.1 | L124 E171 C172 L173 L177 I178 H179 | L124-Q175 HydrophobicContact CD2-CB 3.7Å; L124-Q175 HydrophobicContact CD2-CG 4.38Å; L124-Q175 HydrophobicContact CG-CB 4.28Å; E171-Q175 WeakPolarHBondContact O-CG 3.42Å; E171-Q175 PolarHBondContact O-N 2.89Å; E171-Q175 VanDerWaalsContact O-N 3.11Å; C172-Q175 PolarHBondContact O-N 3.08Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; L173-Q175 PolarHBondContact O-N 3Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 2.84Å; Q175-I178 PolarHBondContact O-N 3.32Å; Q175-H179 WeakPolarHBondContact O-CB 3.36Å; Q175-H179 PolarHBondContact O-CD2 2.89Å; Q175-H179 PolarHBondContact O-N 3.01Å; Q175-H179 VanDerWaalsContact O-N 3.1Å |
| 176 | L | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.9 | -45.8 | 177.3 | -69.4 | 165.4 | 0 | 0 | 0 | 112 | L112 V116 L124 M128 L144 A160 V161 A164 C172 L173 L174 H179 G180 A181 | L112-L176 HydrophobicContact CD2-CD2 4.33Å; V116-L176 HydrophobicContact CG2-CD1 3.99Å; L124-L176 HydrophobicContact CD1-CD2 4.35Å; L124-L176 HydrophobicContact CD2-CG 4.47Å; M128-L176 HydrophobicContact CE-CD2 3.64Å; L144-L176 HydrophobicContact CD2-CD2 4.26Å; A160-L176 HydrophobicContact CB-CD1 3.84Å; A160-L176 HydrophobicContact CB-CD2 4.12Å; V161-L176 HydrophobicContact CG2-CB 4.07Å; V161-L176 HydrophobicContact CG2-CD1 4.14Å; A164-L176 HydrophobicContact CB-CD1 4.46Å; C172-L176 VanDerWaalsContact O-CG 3.32Å; C172-L176 WeakPolarHBondContact O-CG 3.48Å; C172-L176 PolarHBondContact O-N 2.86Å; C172-L176 VanDerWaalsContact O-N 3.07Å; L173-L176 WeakPolarHBondContact O-CB 3.32Å; L173-L176 PolarHBondContact O-N 2.92Å; L174-L176 PolarHBondContact O-N 3.3Å; L176-H179 PolarHBondContact O-N 3.46Å; L176-G180 PolarHBondContact O-N 3Å; L176-A181 HydrophobicContact CB-CB 4Å; L176-A181 WeakPolarHBondContact O-CB 3.45Å; L176-A181 PolarHBondContact O-N 3.02Å |
| 177 | L | 93.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -43.2 | -177.2 | -67 | 176.6 | 0 | 0 | 0 | 112.9 | L173 L174 Q175 H179 G180 P183 F210 F214 | L173-L177 HydrophobicContact CD1-CD1 3.87Å; L173-L177 HydrophobicContact CD1-CD2 4.47Å; L173-L177 HydrophobicContact CD1-CG 4Å; L173-L177 HydrophobicContact CD2-CD1 4.45Å; L173-L177 HydrophobicContact CG-CD1 3.82Å; L173-L177 HydrophobicContact CG-CG 4.31Å; L173-L177 VanDerWaalsContact O-CG 3.29Å; L173-L177 WeakPolarHBondContact O-CG 3.3Å; L173-L177 PolarHBondContact O-N 2.89Å; L174-L177 PolarHBondContact O-N 3.34Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 2.84Å; L177-H179 PolarHBondContact O-N 3.24Å; L177-G180 PolarHBondContact O-N 2.91Å; L177-P183 HydrophobicContact CD2-CB 3.75Å; L177-F210 HydrophobicContact CD1-CB 4.01Å; L177-F214 HydrophobicContact CB-CB 4.4Å; L177-F214 HydrophobicContact CB-CD1 3.97Å; L177-F214 HydrophobicContact CB-CD2 3.81Å; L177-F214 HydrophobicContact CB-CE1 4.16Å; L177-F214 HydrophobicContact CB-CE2 4.01Å; L177-F214 HydrophobicContact CB-CG 3.79Å; L177-F214 HydrophobicContact CB-CZ 4.19Å; L177-F214 HydrophobicContact CD1-CB 4.21Å; L177-F214 HydrophobicContact CD1-CD2 3.73Å; L177-F214 HydrophobicContact CD1-CE2 4.39Å; L177-F214 HydrophobicContact CD1-CG 4.1Å; L177-F214 HydrophobicContact CD2-CB 4.23Å; L177-F214 HydrophobicContact CG-CD2 4.35Å; L177-F214 HydrophobicContact CG-CG 4.36Å |
| 178 | I | 90.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 37.7 Ų | 37.7 | 50% | 0.503 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -35.8 | 176.1 | -70.1 | 171.8 | 0 | 0 | 0 | 110.7 | L174 Q175 G180 F214 | L174-I178 HydrophobicContact CD1-CD1 3.72Å; L174-I178 HydrophobicContact CD1-CG1 3.99Å; L174-I178 HydrophobicContact CD2-CD1 4.32Å; L174-I178 HydrophobicContact CG-CD1 3.68Å; L174-I178 HydrophobicContact CG-CG1 4.32Å; L174-I178 WeakPolarHBondContact O-CB 3.26Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.35Å; Q175-I178 PolarHBondContact O-N 3.32Å; I178-G180 PolarHBondContact O-N 3.32Å; I178-F214 HydrophobicContact CG1-CE1 4.4Å; I178-F214 HydrophobicContact CG1-CZ 3.79Å |
| 179 | H | 89.3 | Confident | 93 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 26% | 0.255 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 4.6 | 176.5 | -74.1 | -77.9 | 0 | 0 | 0 | 114.1 | M128 L144 Q175 L176 L177 | M128-H179 HydrophobicContact CG-CB 4.34Å; M128-H179 VanDerWaalsContact CG-CD2 3.47Å; M128-H179 WeakPolarHBondContact CG-CD2 3.39Å; M128-H179 HydrophobicContact SD-CB 3.73Å; L144-H179 VanDerWaalsContact CD1-O 3.25Å; L144-H179 WeakPolarHBondContact CD1-O 3.31Å; Q175-H179 WeakPolarHBondContact O-CB 3.36Å; Q175-H179 PolarHBondContact O-CD2 2.89Å; Q175-H179 PolarHBondContact O-N 3.01Å; Q175-H179 VanDerWaalsContact O-N 3.1Å; L176-H179 PolarHBondContact O-N 3.46Å; L177-H179 PolarHBondContact O-N 3.24Å |
| 180 | G | 89.5 | Confident | 92.8 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 29% | 0.289 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 14.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R141 L176 L177 I178 | R141-G180 PolarHBondContact NH2-O 3.32Å; L176-G180 PolarHBondContact O-N 3Å; L177-G180 PolarHBondContact O-N 2.91Å; I178-G180 PolarHBondContact O-N 3.32Å |
| 181 | A | 92.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | trans | -60 | 147.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L144 V161 L176 | L144-A181 HydrophobicContact CB-CB 4.16Å; V161-A181 HydrophobicContact CG2-CB 3.72Å; L176-A181 HydrophobicContact CB-CB 4Å; L176-A181 WeakPolarHBondContact O-CB 3.45Å; L176-A181 PolarHBondContact O-N 3.02Å | ||
| 182 | R | 92.5 | Very high | 92.6 | Very high | 152 Ų | 152 | 38.4 Ų | 38.4 | 57% | 0.574 | 19% | 0.192 | S | C | * | . | trans | -66.9 | 133.8 | 178.2 | -70.6 | 171.8 | 64.9 | 172 | -0.2 | 110 | D145 D184 | D145-R182 WeakPolarHBondContact OD1-CG 3.19Å; D145-R182 PolarHBondContact OD1-N 3.44Å; D145-R182 WeakPolarHBondContact OD2-CD 3.49Å; D145-R182 VanDerWaalsContact OD2-CG 3.27Å; D145-R182 WeakPolarHBondContact OD2-CG 3.16Å; R182-D184 PolarHBondContact O-N 2.93Å | ||
| 183 | P | 92.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 21% | 0.214 | 19% | 0.193 | C | C | . | . | trans | -76.4 | 56.8 | 175.2 | 33.7 | -37.1 | 0 | 0 | 0 | 111 | L177 L211 F214 L215 | L177-P183 HydrophobicContact CD2-CB 3.75Å; P183-L211 HydrophobicContact CB-CD2 4.08Å; P183-F214 HydrophobicContact CB-CB 4.08Å; P183-F214 HydrophobicContact CG-CB 4.37Å; P183-L215 HydrophobicContact CG-CD1 4.2Å | ||
| 184 | D | 87.7 | Confident | 92.1 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | trans | -79.9 | 168.2 | 171 | 65.2 | 6.4 | 0 | 0 | 0 | 111.2 | T159 V161 R182 L211 | T159-D184 VanDerWaalsContact CG2-OD2 3.31Å; T159-D184 WeakPolarHBondContact CG2-OD2 3.24Å; T159-D184 PolarHBondContact OG1-OD1 3.23Å; T159-D184 PolarHBondContact OG1-OD2 2.99Å; V161-D184 WeakPolarHBondContact CB-OD1 3.08Å; V161-D184 WeakPolarHBondContact CG1-O 3.21Å; V161-D184 WeakPolarHBondContact CG1-OD1 3.34Å; R182-D184 PolarHBondContact O-N 2.93Å; D184-L211 WeakPolarHBondContact O-CD2 3.43Å | ||
| 185 | G | 89.3 | Confident | 92 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | trans | 89.2 | 14 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | E187 V188 A189 | G185-E187 VanDerWaalsContact C-N 3.28Å; G185-E187 PolarHBondContact O-N 3.26Å; G185-V188 WeakPolarHBondContact O-CB 3.23Å; G185-V188 PolarHBondContact O-N 3.1Å; G185-V188 VanDerWaalsContact O-N 3.1Å; G185-A189 PolarHBondContact O-N 3.45Å | ||
| 186 | L | 92.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.3 | -41.5 | 173.3 | -177.5 | 61.5 | 0 | 0 | 0 | 112.7 | V188 A189 L190 L208 L212 L215 P219 L221 L243 | L186-V188 VanDerWaalsContact C-N 3.33Å; L186-V188 PolarHBondContact O-N 3.15Å; L186-A189 WeakPolarHBondContact O-CB 3.25Å; L186-A189 PolarHBondContact O-N 3.4Å; L186-L190 WeakPolarHBondContact O-CG 3.35Å; L186-L190 PolarHBondContact O-N 2.83Å; L186-L208 HydrophobicContact CD1-CD1 3.43Å; L186-L208 VanDerWaalsContact CD1-CD1 3.43Å; L186-L212 HydrophobicContact CD1-CD2 4.03Å; L186-L215 HydrophobicContact CD2-CD2 3.87Å; L186-P219 HydrophobicContact CD2-CG 3.94Å; L186-L221 HydrophobicContact CD2-CD1 3.6Å; L186-L221 HydrophobicContact CG-CD1 3.91Å; L186-L243 HydrophobicContact CD2-CD1 4.5Å; L186-L243 HydrophobicContact CD2-CD2 3.86Å |
| 187 | E | 91.3 | Very high | 91.8 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.5 | -172.6 | 171.2 | -167.1 | 0 | 0 | 111.8 | G185 A189 L190 Q191 L221 | G185-E187 VanDerWaalsContact C-N 3.28Å; G185-E187 PolarHBondContact O-N 3.26Å; E187-A189 VanDerWaalsContact C-N 3.31Å; E187-A189 PolarHBondContact O-N 3.41Å; E187-L190 PolarHBondContact O-N 3.3Å; E187-Q191 WeakPolarHBondContact O-CG 3.45Å; E187-Q191 PolarHBondContact O-N 2.97Å; E187-L221 HydrophobicContact CB-CD2 3.8Å; E187-L221 HydrophobicContact CG-CD2 4.31Å |
| 188 | V | 92.6 | Very high | 91.6 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 22% | 0.218 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | V165 E166 G185 L186 L190 Q191 R192 | V165-V188 HydrophobicContact CG1-CB 4.16Å; V165-V188 HydrophobicContact CG1-CG1 4.07Å; E166-V188 HydrophobicContact CB-CG1 3.97Å; G185-V188 WeakPolarHBondContact O-CB 3.23Å; G185-V188 PolarHBondContact O-N 3.1Å; G185-V188 VanDerWaalsContact O-N 3.1Å; L186-V188 VanDerWaalsContact C-N 3.33Å; L186-V188 PolarHBondContact O-N 3.15Å; V188-L190 PolarHBondContact O-N 2.78Å; V188-Q191 PolarHBondContact O-N 3.38Å; V188-R192 VanDerWaalsContact O-CB 3.24Å; V188-R192 WeakPolarHBondContact O-CB 3.44Å; V188-R192 PolarHBondContact O-N 3.05Å |
| 189 | A | 94.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V165 G185 L186 E187 R192 L193 L208 L211 | V165-A189 HydrophobicContact CG1-CB 3.48Å; V165-A189 VanDerWaalsContact CG1-CB 3.48Å; V165-A189 VanDerWaalsContact CG1-N 3.31Å; G185-A189 PolarHBondContact O-N 3.45Å; L186-A189 WeakPolarHBondContact O-CB 3.25Å; L186-A189 PolarHBondContact O-N 3.4Å; E187-A189 VanDerWaalsContact C-N 3.31Å; E187-A189 PolarHBondContact O-N 3.41Å; A189-R192 PolarHBondContact O-N 3.41Å; A189-L193 WeakPolarHBondContact O-CB 3.3Å; A189-L193 PolarHBondContact O-N 3.24Å; A189-L208 HydrophobicContact CB-CB 4.39Å; A189-L208 HydrophobicContact CB-CD1 4.19Å; A189-L211 HydrophobicContact CB-CD1 3.67Å |
| 190 | L | 93.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.3 | -68.7 | 173.3 | 0 | 0 | 0 | 111.4 | L186 E187 V188 R192 L193 V194 L208 L221 L224 W231 L235 | L186-L190 WeakPolarHBondContact O-CG 3.35Å; L186-L190 PolarHBondContact O-N 2.83Å; E187-L190 PolarHBondContact O-N 3.3Å; V188-L190 PolarHBondContact O-N 2.78Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 3.14Å; L190-L193 PolarHBondContact O-N 3.03Å; L190-V194 PolarHBondContact O-N 2.75Å; L190-L208 HydrophobicContact CD2-CD1 4.27Å; L190-L221 HydrophobicContact CD1-CD1 3.69Å; L190-L224 HydrophobicContact CD1-CD2 3.95Å; L190-L224 HydrophobicContact CD1-CG 4.44Å; L190-W231 HydrophobicContact CB-CH2 3.79Å; L190-W231 HydrophobicContact CB-CZ3 3.81Å; L190-W231 HydrophobicContact CD2-CE3 4.11Å; L190-W231 HydrophobicContact CD2-CZ3 3.83Å; L190-W231 HydrophobicContact CG-CZ3 4.33Å; L190-L235 HydrophobicContact CD2-CD1 4.08Å; L190-L235 HydrophobicContact CD2-CD2 3.73Å; L190-L235 HydrophobicContact CD2-CG 4.38Å |
| 191 | Q | 92.4 | Very high | 91.9 | Very high | 108 Ų | 108 | 56 Ų | 56 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.4 | -71.1 | 176.8 | 2.6 | 0 | 0 | 111.5 | E187 V188 V194 S195 | E187-Q191 WeakPolarHBondContact O-CG 3.45Å; E187-Q191 PolarHBondContact O-N 2.97Å; V188-Q191 PolarHBondContact O-N 3.38Å; Q191-V194 PolarHBondContact O-N 3.45Å; Q191-S195 WeakPolarHBondContact O-CB 3.47Å; Q191-S195 PolarHBondContact O-N 3.16Å; Q191-S195 PolarHBondContact O-OG 3.34Å |
| 192 | R | 94.3 | Very high | 91.9 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 178.7 | -170.4 | 56.4 | 166.8 | 124.9 | 5.2 | 112 | E166 S168 V188 A189 L190 V194 S195 C196 E200 A204 | E166-R192 WeakPolarHBondContact O-CD 3.45Å; E166-R192 PolarHBondContact O-NE 3.35Å; S168-R192 PolarHBondContact OG-NE 3.29Å; V188-R192 VanDerWaalsContact O-CB 3.24Å; V188-R192 WeakPolarHBondContact O-CB 3.44Å; V188-R192 PolarHBondContact O-N 3.05Å; A189-R192 PolarHBondContact O-N 3.41Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 3.14Å; R192-V194 PolarHBondContact O-N 2.89Å; R192-S195 PolarHBondContact O-N 3.42Å; R192-S195 PolarHBondContact O-OG 3.38Å; R192-C196 WeakPolarHBondContact O-CB 3.05Å; R192-C196 PolarHBondContact O-N 3.01Å; R192-C196 PolarHBondContact O-SG 3.36Å; R192-C196 VanDerWaalsContact O-SG 3.35Å; R192-E200 IonicContact CZ-OE2 2.84Å; R192-E200 IonicContact NH1-OE2 3.01Å; R192-E200 PolarHBondContact NH1-OE2 2.98Å; R192-E200 IonicContact NH2-OE1 2.62Å; R192-E200 PolarHBondContact NH2-OE1 3.36Å; R192-E200 IonicContact NH2-OE2 3.21Å; R192-E200 PolarHBondContact NH2-OE2 3.08Å; R192-A204 HydrophobicContact CG-CB 4.2Å |
| 193 | L | 92.7 | Very high | 92 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -29.4 | 176 | -86.8 | 171.8 | 0 | 0 | 0 | 114.3 | A189 L190 R201 A204 Q205 L208 | A189-L193 WeakPolarHBondContact O-CB 3.3Å; A189-L193 PolarHBondContact O-N 3.24Å; L190-L193 PolarHBondContact O-N 3.03Å; L193-R201 PolarHBondContact O-NH1 3.23Å; L193-A204 HydrophobicContact CD2-CB 3.87Å; L193-A204 HydrophobicContact CG-CB 4.22Å; L193-Q205 HydrophobicContact CD2-CB 4.1Å; L193-L208 HydrophobicContact CD1-CB 3.79Å; L193-L208 HydrophobicContact CD1-CD2 3.31Å; L193-L208 HydrophobicContact CD1-CG 4.09Å |
| 194 | V | 92.1 | Very high | 92.1 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 33% | 0.333 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -77.2 | -40.7 | 175.9 | 155.5 | 0 | 0 | 0 | 0 | 111.8 | L190 Q191 R192 W231 L234 | L190-V194 PolarHBondContact O-N 2.75Å; Q191-V194 PolarHBondContact O-N 3.45Å; R192-V194 PolarHBondContact O-N 2.89Å; V194-W231 HydrophobicContact CG2-CH2 3.51Å; V194-W231 HydrophobicContact CG2-CZ2 4.35Å; V194-W231 HydrophobicContact CG2-CZ3 3.83Å; V194-L234 HydrophobicContact CG2-CD1 4.03Å |
| 195 | S | 91.9 | Very high | 92.5 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -95.9 | -17.4 | -170.4 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | Q191 R192 | Q191-S195 WeakPolarHBondContact O-CB 3.47Å; Q191-S195 PolarHBondContact O-N 3.16Å; Q191-S195 PolarHBondContact O-OG 3.34Å; R192-S195 PolarHBondContact O-N 3.42Å; R192-S195 PolarHBondContact O-OG 3.38Å |
| 196 | C | 90.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 10% | 0.101 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -68.6 | 147.4 | -176.1 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | R192 E200 | R192-C196 WeakPolarHBondContact O-CB 3.05Å; R192-C196 PolarHBondContact O-N 3.01Å; R192-C196 PolarHBondContact O-SG 3.36Å; R192-C196 VanDerWaalsContact O-SG 3.35Å; C196-E200 HydrophobicContact CB-CB 4.12Å |
| 197 | I | 92.4 | Very high | 92.9 | Very high | 103 Ų | 103 | 61.1 Ų | 61.1 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | trans | -70.2 | 161.8 | 170 | 59.7 | 173.1 | 0 | 0 | 0 | 110.6 | S199 E200 R201 | I197-S199 WeakPolarHBondContact CD1-OG 3.24Å; I197-S199 WeakPolarHBondContact CG1-OG 3.31Å; I197-S199 PolarHBondContact O-N 3.12Å; I197-S199 VanDerWaalsContact O-N 3.16Å; I197-E200 HydrophobicContact CD1-CG 4.26Å; I197-E200 HydrophobicContact CG1-CB 4.29Å; I197-E200 HydrophobicContact CG1-CG 3.75Å; I197-E200 PolarHBondContact O-N 2.99Å; I197-R201 PolarHBondContact O-N 3.45Å | ||
| 198 | V | 89.6 | Confident | 93.1 | Very high | 135 Ų | 135 | 56.8 Ų | 56.8 | 82% | 0.818 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -55.3 | -37.9 | -174.7 | 179.4 | 0 | 0 | 0 | 0 | 112.6 | E200 R201 | V198-E200 VanDerWaalsContact C-N 3.29Å; V198-E200 PolarHBondContact O-N 3.03Å; V198-R201 WeakPolarHBondContact O-CB 3.3Å; V198-R201 PolarHBondContact O-N 2.96Å |
| 199 | S | 90.3 | Very high | 93.1 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 62% | 0.622 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -67.4 | -24.8 | -179.1 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | I197 Q203 | I197-S199 WeakPolarHBondContact CD1-OG 3.24Å; I197-S199 WeakPolarHBondContact CG1-OG 3.31Å; I197-S199 PolarHBondContact O-N 3.12Å; I197-S199 VanDerWaalsContact O-N 3.16Å; S199-Q203 PolarHBondContact O-OE1 3.44Å |
| 200 | E | 91.3 | Very high | 93 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -97.2 | -9.7 | -179.1 | -62 | 176.9 | 142.2 | 0 | 0 | 112.4 | R192 C196 I197 V198 Q202 Q203 A204 | R192-E200 IonicContact CZ-OE2 2.84Å; R192-E200 IonicContact NH1-OE2 3.01Å; R192-E200 PolarHBondContact NH1-OE2 2.98Å; R192-E200 IonicContact NH2-OE1 2.62Å; R192-E200 PolarHBondContact NH2-OE1 3.36Å; R192-E200 IonicContact NH2-OE2 3.21Å; R192-E200 PolarHBondContact NH2-OE2 3.08Å; C196-E200 HydrophobicContact CB-CB 4.12Å; I197-E200 HydrophobicContact CD1-CG 4.26Å; I197-E200 HydrophobicContact CG1-CB 4.29Å; I197-E200 HydrophobicContact CG1-CG 3.75Å; I197-E200 PolarHBondContact O-N 2.99Å; V198-E200 VanDerWaalsContact C-N 3.29Å; V198-E200 PolarHBondContact O-N 3.03Å; E200-Q202 VanDerWaalsContact C-N 3.28Å; E200-Q202 PolarHBondContact O-N 3.42Å; E200-Q203 PolarHBondContact O-N 2.93Å; E200-Q203 PolarHBondContact O-OE1 3.33Å; E200-A204 WeakPolarHBondContact O-CB 3.32Å; E200-A204 PolarHBondContact O-N 3.01Å |
| 201 | R | 92.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | -171.6 | -171.8 | 174.1 | -173.6 | 78.3 | 2.9 | 112.4 | L193 I197 V198 Q205 | L193-R201 PolarHBondContact O-NH1 3.23Å; I197-R201 PolarHBondContact O-N 3.45Å; V198-R201 WeakPolarHBondContact O-CB 3.3Å; V198-R201 PolarHBondContact O-N 2.96Å; R201-Q205 VanDerWaalsContact O-CB 3.28Å; R201-Q205 WeakPolarHBondContact O-CB 3.31Å; R201-Q205 PolarHBondContact O-N 2.65Å |
| 202 | Q | 93.9 | Very high | 93 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 178.9 | -171.3 | -177 | 22.5 | 0 | 0 | 111.4 | E200 Q205 R206 | E200-Q202 VanDerWaalsContact C-N 3.28Å; E200-Q202 PolarHBondContact O-N 3.42Å; Q202-Q205 PolarHBondContact O-N 3.42Å; Q202-R206 WeakPolarHBondContact O-CG 3.39Å; Q202-R206 PolarHBondContact O-N 2.73Å |
| 203 | Q | 94.4 | Very high | 92.8 | Very high | 65 Ų | 65 | 55 Ų | 55 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70 | -42.3 | 179.5 | -67.4 | 75.7 | 7.9 | 0 | 0 | 111 | S168 P170 S199 E200 Q205 R206 C207 | S168-Q203 WeakPolarHBondContact O-CB 3.35Å; P170-Q203 HydrophobicContact CG-CB 4.27Å; P170-Q203 HydrophobicContact CG-CG 4.37Å; S199-Q203 PolarHBondContact O-OE1 3.44Å; E200-Q203 PolarHBondContact O-N 2.93Å; E200-Q203 PolarHBondContact O-OE1 3.33Å; Q203-Q205 VanDerWaalsContact C-N 3.3Å; Q203-Q205 PolarHBondContact O-N 2.62Å; Q203-R206 PolarHBondContact O-N 3.36Å; Q203-C207 PolarHBondContact O-N 2.84Å; Q203-C207 PolarHBondContact O-SG 3.07Å; Q203-C207 VanDerWaalsContact O-SG 3.4Å |
| 204 | A | 95.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R192 L193 E200 C207 L208 | R192-A204 HydrophobicContact CG-CB 4.2Å; L193-A204 HydrophobicContact CD2-CB 3.87Å; L193-A204 HydrophobicContact CG-CB 4.22Å; E200-A204 WeakPolarHBondContact O-CB 3.32Å; E200-A204 PolarHBondContact O-N 3.01Å; A204-C207 WeakPolarHBondContact O-CB 3.47Å; A204-C207 PolarHBondContact O-N 3.35Å; A204-L208 PolarHBondContact O-N 3.42Å |
| 205 | Q | 94.7 | Very high | 92.5 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 175 | -174.5 | 63.4 | 43.6 | 0 | 0 | 111.4 | L193 R201 Q202 Q203 C207 L208 D209 | L193-Q205 HydrophobicContact CD2-CB 4.1Å; R201-Q205 VanDerWaalsContact O-CB 3.28Å; R201-Q205 WeakPolarHBondContact O-CB 3.31Å; R201-Q205 PolarHBondContact O-N 2.65Å; Q202-Q205 PolarHBondContact O-N 3.42Å; Q203-Q205 VanDerWaalsContact C-N 3.3Å; Q203-Q205 PolarHBondContact O-N 2.62Å; Q205-C207 VanDerWaalsContact C-N 3.27Å; Q205-C207 PolarHBondContact O-N 3.46Å; Q205-L208 WeakPolarHBondContact O-CB 3.14Å; Q205-L208 PolarHBondContact O-N 3.41Å; Q205-L208 VanDerWaalsContact O-N 3.12Å; Q205-D209 PolarHBondContact NE2-OD1 2.77Å; Q205-D209 PolarHBondContact O-N 3.44Å |
| 206 | R | 94.9 | Very high | 92 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 174.8 | -73.9 | -179.2 | -177.4 | -175 | 3.5 | 112.1 | P170 Q202 Q203 D209 F210 | P170-R206 HydrophobicContact CB-CB 3.77Å; P170-R206 HydrophobicContact CG-CB 4.32Å; Q202-R206 WeakPolarHBondContact O-CG 3.39Å; Q202-R206 PolarHBondContact O-N 2.73Å; Q203-R206 PolarHBondContact O-N 3.36Å; R206-D209 PolarHBondContact O-N 2.85Å; R206-F210 WeakPolarHBondContact O-CD2 3.48Å; R206-F210 WeakPolarHBondContact O-CG 3.31Å; R206-F210 PolarHBondContact O-N 2.95Å |
| 207 | C | 96.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 175 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | L173 Q203 A204 Q205 F210 L211 | L173-C207 HydrophobicContact CD2-CB 3.77Å; L173-C207 WeakPolarHBondContact CD2-O 3.11Å; Q203-C207 PolarHBondContact O-N 2.84Å; Q203-C207 PolarHBondContact O-SG 3.07Å; Q203-C207 VanDerWaalsContact O-SG 3.4Å; A204-C207 WeakPolarHBondContact O-CB 3.47Å; A204-C207 PolarHBondContact O-N 3.35Å; Q205-C207 VanDerWaalsContact C-N 3.27Å; Q205-C207 PolarHBondContact O-N 3.46Å; C207-F210 PolarHBondContact O-N 3.37Å; C207-L211 WeakPolarHBondContact O-CG 3.35Å; C207-L211 PolarHBondContact O-N 3.45Å |
| 208 | L | 94.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 174.2 | 176.1 | 67 | 0 | 0 | 0 | 111.1 | L186 A189 L190 L193 A204 Q205 F210 L211 L212 L235 | L186-L208 HydrophobicContact CD1-CD1 3.43Å; L186-L208 VanDerWaalsContact CD1-CD1 3.43Å; A189-L208 HydrophobicContact CB-CB 4.39Å; A189-L208 HydrophobicContact CB-CD1 4.19Å; L190-L208 HydrophobicContact CD2-CD1 4.27Å; L193-L208 HydrophobicContact CD1-CB 3.79Å; L193-L208 HydrophobicContact CD1-CD2 3.31Å; L193-L208 HydrophobicContact CD1-CG 4.09Å; A204-L208 PolarHBondContact O-N 3.42Å; Q205-L208 WeakPolarHBondContact O-CB 3.14Å; Q205-L208 PolarHBondContact O-N 3.41Å; Q205-L208 VanDerWaalsContact O-N 3.12Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 3.43Å; L208-L211 PolarHBondContact O-N 2.99Å; L208-L211 VanDerWaalsContact O-N 3.14Å; L208-L212 HydrophobicContact CD1-CD1 4.09Å; L208-L212 HydrophobicContact CD1-CD2 4.3Å; L208-L212 HydrophobicContact CD1-CG 3.97Å; L208-L212 HydrophobicContact CD2-CD1 4.27Å; L208-L212 HydrophobicContact CG-CD1 3.84Å; L208-L212 HydrophobicContact CG-CG 4.15Å; L208-L212 VanDerWaalsContact O-CG 3.29Å; L208-L212 WeakPolarHBondContact O-CG 3.21Å; L208-L212 PolarHBondContact O-N 3.45Å; L208-L235 HydrophobicContact CD2-CD2 3.43Å; L208-L235 VanDerWaalsContact CD2-CD2 3.43Å |
| 209 | D | 92.6 | Very high | 90.9 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | -177.4 | -63.9 | -22.5 | 0 | 0 | 0 | 111.3 | Q205 R206 L212 L213 | Q205-D209 PolarHBondContact NE2-OD1 2.77Å; Q205-D209 PolarHBondContact O-N 3.44Å; R206-D209 PolarHBondContact O-N 2.85Å; D209-L212 PolarHBondContact O-N 2.87Å; D209-L213 WeakPolarHBondContact O-CB 3.24Å; D209-L213 PolarHBondContact O-N 2.73Å |
| 210 | F | 93.4 | Very high | 90.6 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 19% | 0.189 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 174 | -67.3 | -27.7 | 0 | 0 | 0 | 112.5 | P170 L173 L174 L177 R206 C207 L208 L212 L213 F214 | P170-F210 HydrophobicContact CB-CD2 4.2Å; P170-F210 HydrophobicContact CB-CE2 3.85Å; P170-F210 WeakPolarHBondContact O-CE2 3.28Å; L173-F210 HydrophobicContact CD2-CB 4.11Å; L174-F210 HydrophobicContact CB-CD2 3.95Å; L174-F210 HydrophobicContact CB-CE2 3.77Å; L174-F210 HydrophobicContact CB-CZ 4.26Å; L174-F210 HydrophobicContact CD1-CD1 4.1Å; L174-F210 HydrophobicContact CD1-CD2 4.45Å; L174-F210 HydrophobicContact CD1-CE1 4.1Å; L174-F210 HydrophobicContact CD1-CE2 4.44Å; L174-F210 HydrophobicContact CD1-CG 4.29Å; L174-F210 HydrophobicContact CD1-CZ 4.27Å; L174-F210 HydrophobicContact CD2-CE1 4.31Å; L174-F210 HydrophobicContact CD2-CE2 4.18Å; L174-F210 HydrophobicContact CD2-CZ 3.85Å; L174-F210 HydrophobicContact CG-CE2 4.34Å; L174-F210 HydrophobicContact CG-CZ 4.35Å; L177-F210 HydrophobicContact CD1-CB 4.01Å; R206-F210 WeakPolarHBondContact O-CD2 3.48Å; R206-F210 WeakPolarHBondContact O-CG 3.31Å; R206-F210 PolarHBondContact O-N 2.95Å; C207-F210 PolarHBondContact O-N 3.37Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 3.43Å; F210-L212 PolarHBondContact O-N 3.29Å; F210-L213 WeakPolarHBondContact O-CB 3.47Å; F210-L213 PolarHBondContact O-N 2.98Å; F210-F214 VanDerWaalsContact O-CD2 3.32Å; F210-F214 WeakPolarHBondContact O-CD2 3.15Å; F210-F214 PolarHBondContact O-N 3.44Å |
| 211 | L | 94 | Very high | 90.4 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 174.5 | -71.9 | 174.7 | 0 | 0 | 0 | 111.4 | V161 V165 L173 P183 D184 A189 C207 L208 L213 F214 L215 | V161-L211 HydrophobicContact CG1-CD2 4.02Å; V165-L211 HydrophobicContact CG1-CD1 4.43Å; V165-L211 HydrophobicContact CG2-CD1 3.74Å; V165-L211 HydrophobicContact CG2-CD2 4.37Å; V165-L211 HydrophobicContact CG2-CG 4.24Å; L173-L211 HydrophobicContact CD1-CD2 4.19Å; L173-L211 HydrophobicContact CD2-CG 4.25Å; P183-L211 HydrophobicContact CB-CD2 4.08Å; D184-L211 WeakPolarHBondContact O-CD2 3.43Å; A189-L211 HydrophobicContact CB-CD1 3.67Å; C207-L211 WeakPolarHBondContact O-CG 3.35Å; C207-L211 PolarHBondContact O-N 3.45Å; L208-L211 PolarHBondContact O-N 2.99Å; L208-L211 VanDerWaalsContact O-N 3.14Å; L211-L213 VanDerWaalsContact C-N 3.25Å; L211-L213 PolarHBondContact O-N 3.48Å; L211-F214 PolarHBondContact O-N 2.66Å; L211-F214 VanDerWaalsContact O-N 3.17Å; L211-L215 WeakPolarHBondContact O-CB 3.48Å; L211-L215 PolarHBondContact O-N 2.94Å |
| 212 | L | 91.8 | Very high | 90 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 177.9 | -65.4 | 175.1 | 0 | 0 | 0 | 110.9 | L186 L208 D209 F210 V239 W242 L243 L253 R257 | L186-L212 HydrophobicContact CD1-CD2 4.03Å; L208-L212 HydrophobicContact CD1-CD1 4.09Å; L208-L212 HydrophobicContact CD1-CD2 4.3Å; L208-L212 HydrophobicContact CD1-CG 3.97Å; L208-L212 HydrophobicContact CD2-CD1 4.27Å; L208-L212 HydrophobicContact CG-CD1 3.84Å; L208-L212 HydrophobicContact CG-CG 4.15Å; L208-L212 VanDerWaalsContact O-CG 3.29Å; L208-L212 WeakPolarHBondContact O-CG 3.21Å; L208-L212 PolarHBondContact O-N 3.45Å; D209-L212 PolarHBondContact O-N 2.87Å; F210-L212 PolarHBondContact O-N 3.29Å; L212-V239 HydrophobicContact CD1-CG1 3.74Å; L212-V239 HydrophobicContact CD2-CG1 4.24Å; L212-W242 HydrophobicContact CB-CZ3 4.4Å; L212-W242 HydrophobicContact CD2-CH2 4.48Å; L212-W242 HydrophobicContact CD2-CZ3 3.8Å; L212-L243 HydrophobicContact CD2-CD1 4.15Å; L212-L243 HydrophobicContact CD2-CD2 3.85Å; L212-L243 HydrophobicContact CD2-CG 4.38Å; L212-L253 HydrophobicContact CB-CD1 4.35Å; L212-R257 PolarHBondContact O-NE 2.57Å; L212-R257 PolarHBondContact O-NH2 2.98Å |
| 213 | L | 89.8 | Confident | 89.6 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 175.5 | -179.9 | 61.6 | 0 | 0 | 0 | 111 | D209 F210 L211 L215 L256 R257 | D209-L213 WeakPolarHBondContact O-CB 3.24Å; D209-L213 PolarHBondContact O-N 2.73Å; F210-L213 WeakPolarHBondContact O-CB 3.47Å; F210-L213 PolarHBondContact O-N 2.98Å; L211-L213 VanDerWaalsContact C-N 3.25Å; L211-L213 PolarHBondContact O-N 3.48Å; L213-L215 PolarHBondContact O-N 3.33Å; L213-L256 HydrophobicContact CD1-CB 3.38Å; L213-R257 HydrophobicContact CD1-CG 4.16Å; L213-R257 WeakPolarHBondContact O-CD 3.31Å; L213-R257 WeakPolarHBondContact O-CG 3.36Å; L213-R257 PolarHBondContact O-NE 3.16Å |
| 214 | F | 89.4 | Confident | 89.3 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 23% | 0.228 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -84.8 | -8.2 | -175.8 | -73.9 | -96.3 | 0 | 0 | 0 | 114.5 | L174 L177 I178 P183 F210 L211 A216 | L174-F214 HydrophobicContact CD1-CE2 4.03Å; L174-F214 HydrophobicContact CD1-CZ 4.42Å; L177-F214 HydrophobicContact CB-CB 4.4Å; L177-F214 HydrophobicContact CB-CD1 3.97Å; L177-F214 HydrophobicContact CB-CD2 3.81Å; L177-F214 HydrophobicContact CB-CE1 4.16Å; L177-F214 HydrophobicContact CB-CE2 4.01Å; L177-F214 HydrophobicContact CB-CG 3.79Å; L177-F214 HydrophobicContact CB-CZ 4.19Å; L177-F214 HydrophobicContact CD1-CB 4.21Å; L177-F214 HydrophobicContact CD1-CD2 3.73Å; L177-F214 HydrophobicContact CD1-CE2 4.39Å; L177-F214 HydrophobicContact CD1-CG 4.1Å; L177-F214 HydrophobicContact CD2-CB 4.23Å; L177-F214 HydrophobicContact CG-CD2 4.35Å; L177-F214 HydrophobicContact CG-CG 4.36Å; I178-F214 HydrophobicContact CG1-CE1 4.4Å; I178-F214 HydrophobicContact CG1-CZ 3.79Å; P183-F214 HydrophobicContact CB-CB 4.08Å; P183-F214 HydrophobicContact CG-CB 4.37Å; F210-F214 VanDerWaalsContact O-CD2 3.32Å; F210-F214 WeakPolarHBondContact O-CD2 3.15Å; F210-F214 PolarHBondContact O-N 3.44Å; L211-F214 PolarHBondContact O-N 2.66Å; L211-F214 VanDerWaalsContact O-N 3.17Å; F214-A216 PolarHBondContact O-N 2.82Å |
| 215 | L | 89.1 | Confident | 88.8 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | trans | -77.4 | 112.2 | -178.5 | -169.1 | 71.7 | 0 | 0 | 0 | 112.7 | P183 L186 L211 L213 K217 W242 L243 R257 | P183-L215 HydrophobicContact CG-CD1 4.2Å; L186-L215 HydrophobicContact CD2-CD2 3.87Å; L211-L215 WeakPolarHBondContact O-CB 3.48Å; L211-L215 PolarHBondContact O-N 2.94Å; L213-L215 PolarHBondContact O-N 3.33Å; L215-K217 WeakPolarHBondContact CD1-O 3.42Å; L215-K217 WeakPolarHBondContact CG-O 3.28Å; L215-W242 HydrophobicContact CB-CH2 4.3Å; L215-W242 HydrophobicContact CD2-CH2 3.97Å; L215-W242 HydrophobicContact CD2-CZ2 4.44Å; L215-W242 HydrophobicContact CG-CH2 4.45Å; L215-L243 HydrophobicContact CD2-CD2 4.37Å; L215-R257 PolarHBondContact O-NE 2.65Å; L215-R257 VanDerWaalsContact O-NE 3.17Å; L215-R257 PolarHBondContact O-NH2 3.14Å; L215-R257 VanDerWaalsContact O-NH2 3.16Å | ||
| 216 | A | 81.3 | Confident | 88.5 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -69.2 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | F214 | F214-A216 PolarHBondContact O-N 2.82Š|
| 217 | K | 83.4 | Confident | 88.1 | Confident | 172 Ų | 172 | 59.8 Ų | 59.8 | 75% | 0.748 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -140.8 | 136.9 | -179.5 | -172.7 | 179.4 | 179.2 | 177.4 | 0 | 110 | L215 | L215-K217 WeakPolarHBondContact CD1-O 3.42Å; L215-K217 WeakPolarHBondContact CG-O 3.28Å |
| 218 | P | 81.9 | Confident | 87.8 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 134.6 | 179.3 | 27 | -33.9 | 0 | 0 | 0 | 111.3 | W242 L243 | P218-W242 WeakPolarHBondContact CG-O 3.29Å; P218-L243 HydrophobicContact CB-CD2 3.77Å |
| 219 | P | 84.5 | Confident | 87.6 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -69 | 157 | 166.4 | 31.1 | -33.1 | 0 | 0 | 0 | 109.9 | L186 L221 | L186-P219 HydrophobicContact CD2-CG 3.94Å; P219-L221 HydrophobicContact CG-CD1 4.49Å; P219-L221 HydrophobicContact CG-CD2 4.38Å; P219-L221 HydrophobicContact CG-CG 4.23Å; P219-L221 PolarHBondContact O-N 3Å |
| 220 | L | 83.1 | Confident | 87.6 | Confident | 155 Ų | 155 | 71.9 Ų | 71.9 | 81% | 0.812 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 117.2 | 171.2 | -68.1 | 171.2 | 0 | 0 | 0 | 108.7 | ||
| 221 | L | 86.7 | Confident | 87.5 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | trans | -116.2 | 99.4 | -179.9 | -68.3 | 170.4 | 0 | 0 | 0 | 109.4 | L186 E187 L190 P219 C223 L224 | L186-L221 HydrophobicContact CD2-CD1 3.6Å; L186-L221 HydrophobicContact CG-CD1 3.91Å; E187-L221 HydrophobicContact CB-CD2 3.8Å; E187-L221 HydrophobicContact CG-CD2 4.31Å; L190-L221 HydrophobicContact CD1-CD1 3.69Å; P219-L221 HydrophobicContact CG-CD1 4.49Å; P219-L221 HydrophobicContact CG-CD2 4.38Å; P219-L221 HydrophobicContact CG-CG 4.23Å; P219-L221 PolarHBondContact O-N 3Å; L221-C223 PolarHBondContact O-N 2.96Å; L221-L224 HydrophobicContact CB-CD1 3.93Å; L221-L224 HydrophobicContact CB-CG 3.92Å; L221-L224 HydrophobicContact CD1-CD1 3.89Å; L221-L224 HydrophobicContact CD1-CG 4.35Å; L221-L224 PolarHBondContact O-N 3.17Å | ||
| 222 | P | 84.7 | Confident | 87.5 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38.4 | 179.8 | -25.8 | 35.1 | 0 | 0 | 0 | 112.7 | L224 R225 | P222-L224 PolarHBondContact O-N 2.75Å; P222-R225 WeakPolarHBondContact O-CB 3.31Å; P222-R225 PolarHBondContact O-N 3.1Å |
| 223 | C | 85.3 | Confident | 87.4 | Confident | 30 Ų | 30 | 76.8 Ų | 76.8 | 20% | 0.203 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.7 | -25 | -178.4 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | L221 R225 W231 | L221-C223 PolarHBondContact O-N 2.96Å; C223-R225 VanDerWaalsContact C-N 3.27Å; C223-R225 PolarHBondContact O-N 2.91Å; C223-W231 PolarHBondContact O-NE1 2.92Å |
| 224 | L | 87.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -71.1 | -23 | 176.1 | -66.4 | -177.6 | 0 | 0 | 0 | 112.8 | L190 L221 P222 W231 L235 F240 L243 | L190-L224 HydrophobicContact CD1-CD2 3.95Å; L190-L224 HydrophobicContact CD1-CG 4.44Å; L221-L224 HydrophobicContact CB-CD1 3.93Å; L221-L224 HydrophobicContact CB-CG 3.92Å; L221-L224 HydrophobicContact CD1-CD1 3.89Å; L221-L224 HydrophobicContact CD1-CG 4.35Å; L221-L224 PolarHBondContact O-N 3.17Å; P222-L224 PolarHBondContact O-N 2.75Å; L224-W231 HydrophobicContact CD2-CB 3.89Å; L224-W231 HydrophobicContact CD2-CD2 3.73Å; L224-W231 HydrophobicContact CD2-CE3 4.24Å; L224-W231 HydrophobicContact CD2-CG 3.56Å; L224-L235 HydrophobicContact CD2-CD1 4.05Å; L224-F240 HydrophobicContact CB-CE2 4.24Å; L224-F240 WeakPolarHBondContact O-CE2 3.26Å; L224-L243 HydrophobicContact CD1-CB 3.58Å; L224-L243 HydrophobicContact CD1-CD1 4.15Å |
| 225 | R | 85.4 | Confident | 87.4 | Confident | 179 Ų | 179 | 76.2 Ų | 76.2 | 68% | 0.675 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -85.1 | -27.9 | -179.8 | -61.3 | -175.6 | 176.1 | -166.3 | -2.1 | 112.7 | P222 C223 | P222-R225 WeakPolarHBondContact O-CB 3.31Å; P222-R225 PolarHBondContact O-N 3.1Å; C223-R225 VanDerWaalsContact C-N 3.27Å; C223-R225 PolarHBondContact O-N 2.91Å |
| 226 | D | 87.6 | Confident | 87.6 | Confident | 125 Ų | 125 | 77 Ų | 77 | 67% | 0.668 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.8 | -39.4 | -175 | -58.3 | -30.8 | 0 | 0 | 0 | 111.7 | ||
| 227 | E | 87.3 | Confident | 88.1 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -132.4 | 67.4 | -178.6 | -66.9 | -178.5 | -156.6 | 0 | 0 | 112.5 | Q229 R230 W231 | E227-Q229 PolarHBondContact O-N 3.03Å; E227-R230 HydrophobicContact CB-CB 4.11Å; E227-R230 PolarHBondContact O-N 3.12Å; E227-R230 IonicContact OE1-NH1 2.76Å; E227-R230 WeakPolarHBondContact OE2-CD 3.33Å; E227-R230 IonicContact OE2-CZ 3.17Å; E227-R230 IonicContact OE2-NE 3.63Å; E227-R230 IonicContact OE2-NH1 2.81Å; E227-R230 PolarHBondContact OE2-NH1 3.44Å; E227-W231 PolarHBondContact O-N 3.28Å |
| 228 | P | 89.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | -169 | 23.6 | -33.7 | 0 | 0 | 0 | 113.3 | R230 W231 Q232 F240 | P228-R230 VanDerWaalsContact C-N 3.34Å; P228-R230 PolarHBondContact O-N 3.15Å; P228-W231 PolarHBondContact O-N 2.85Å; P228-Q232 WeakPolarHBondContact O-CB 3.41Å; P228-Q232 VanDerWaalsContact O-CG 3.24Å; P228-Q232 WeakPolarHBondContact O-CG 3.21Å; P228-Q232 PolarHBondContact O-N 3.49Å; P228-F240 HydrophobicContact CB-CE2 4.48Å; P228-F240 HydrophobicContact CB-CZ 3.82Å |
| 229 | Q | 91.7 | Very high | 88.9 | Confident | 165 Ų | 165 | 79.5 Ų | 79.5 | 77% | 0.771 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.3 | -39 | -179.5 | -67 | -168.3 | -2.4 | 0 | 0 | 112.3 | E227 Q232 G233 | E227-Q229 PolarHBondContact O-N 3.03Å; Q229-Q232 PolarHBondContact O-N 3.26Å; Q229-G233 PolarHBondContact O-N 3.01Å |
| 230 | R | 91.6 | Very high | 89.4 | Confident | 109 Ų | 109 | 77.5 Ų | 77.5 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 177.7 | 179.7 | -177.5 | -177.7 | 178.2 | 7.6 | 111.1 | E227 P228 G233 L234 | E227-R230 HydrophobicContact CB-CB 4.11Å; E227-R230 PolarHBondContact O-N 3.12Å; E227-R230 IonicContact OE1-NH1 2.76Å; E227-R230 WeakPolarHBondContact OE2-CD 3.33Å; E227-R230 IonicContact OE2-CZ 3.17Å; E227-R230 IonicContact OE2-NE 3.63Å; E227-R230 IonicContact OE2-NH1 2.81Å; E227-R230 PolarHBondContact OE2-NH1 3.44Å; P228-R230 VanDerWaalsContact C-N 3.34Å; P228-R230 PolarHBondContact O-N 3.15Å; R230-G233 PolarHBondContact O-N 3.37Å; R230-L234 HydrophobicContact CG-CD1 4.2Å; R230-L234 WeakPolarHBondContact O-CG 3.36Å; R230-L234 PolarHBondContact O-N 3.43Å |
| 231 | W | 92.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 6% | 0.064 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.7 | -33.4 | -179.6 | -64.8 | 118.2 | 0 | 0 | 0 | 112.7 | L190 V194 C223 L224 E227 P228 G233 L234 L235 F240 | L190-W231 HydrophobicContact CB-CH2 3.79Å; L190-W231 HydrophobicContact CB-CZ3 3.81Å; L190-W231 HydrophobicContact CD2-CE3 4.11Å; L190-W231 HydrophobicContact CD2-CZ3 3.83Å; L190-W231 HydrophobicContact CG-CZ3 4.33Å; V194-W231 HydrophobicContact CG2-CH2 3.51Å; V194-W231 HydrophobicContact CG2-CZ2 4.35Å; V194-W231 HydrophobicContact CG2-CZ3 3.83Å; C223-W231 PolarHBondContact O-NE1 2.92Å; L224-W231 HydrophobicContact CD2-CB 3.89Å; L224-W231 HydrophobicContact CD2-CD2 3.73Å; L224-W231 HydrophobicContact CD2-CE3 4.24Å; L224-W231 HydrophobicContact CD2-CG 3.56Å; E227-W231 PolarHBondContact O-N 3.28Å; P228-W231 PolarHBondContact O-N 2.85Å; W231-G233 VanDerWaalsContact C-N 3.34Å; W231-L234 HydrophobicContact CE3-CD1 3.98Å; W231-L234 HydrophobicContact CZ3-CD1 4Å; W231-L234 PolarHBondContact O-N 3.24Å; W231-L235 HydrophobicContact CB-CD1 4.28Å; W231-L235 HydrophobicContact CE3-CD1 4.48Å; W231-L235 VanDerWaalsContact O-CB 3.24Å; W231-L235 WeakPolarHBondContact O-CB 3.45Å; W231-L235 WeakPolarHBondContact O-CG 3.33Å; W231-L235 PolarHBondContact O-N 2.88Å; W231-F240 HydrophobicContact CB-CD2 3.69Å; W231-F240 HydrophobicContact CB-CE2 3.78Å |
| 232 | Q | 92.9 | Very high | 90 | Very high | 69 Ų | 69 | 71.4 Ų | 71.4 | 32% | 0.322 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 170.1 | -76.6 | 172.8 | -4.7 | 0 | 0 | 112 | P228 Q229 G236 F240 | P228-Q232 WeakPolarHBondContact O-CB 3.41Å; P228-Q232 VanDerWaalsContact O-CG 3.24Å; P228-Q232 WeakPolarHBondContact O-CG 3.21Å; P228-Q232 PolarHBondContact O-N 3.49Å; Q229-Q232 PolarHBondContact O-N 3.26Å; Q232-G236 CarbonylContact O-C 3.59Å; Q232-G236 WeakPolarHBondContact O-CA 3.38Å; Q232-G236 PolarHBondContact O-N 3.12Å; Q232-F240 HydrophobicContact CG-CB 4.17Å; Q232-F240 HydrophobicContact CG-CD1 3.49Å; Q232-F240 VanDerWaalsContact CG-CD1 3.49Å; Q232-F240 HydrophobicContact CG-CD2 4.16Å; Q232-F240 HydrophobicContact CG-CE1 3.86Å; Q232-F240 HydrophobicContact CG-CE2 4.47Å; Q232-F240 HydrophobicContact CG-CG 3.65Å; Q232-F240 HydrophobicContact CG-CZ 4.33Å |
| 233 | G | 90.7 | Very high | 90.4 | Very high | 69 Ų | 69 | 67.7 Ų | 67.7 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.6 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q229 R230 W231 | Q229-G233 PolarHBondContact O-N 3.01Å; R230-G233 PolarHBondContact O-N 3.37Å; W231-G233 VanDerWaalsContact C-N 3.34Å |
| 234 | L | 89.1 | Confident | 90.6 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -80.9 | -41.4 | -179 | -71.1 | 173.8 | 0 | 0 | 0 | 113.8 | V194 R230 W231 | V194-L234 HydrophobicContact CG2-CD1 4.03Å; R230-L234 HydrophobicContact CG-CD1 4.2Å; R230-L234 WeakPolarHBondContact O-CG 3.36Å; R230-L234 PolarHBondContact O-N 3.43Å; W231-L234 HydrophobicContact CE3-CD1 3.98Å; W231-L234 HydrophobicContact CZ3-CD1 4Å; W231-L234 PolarHBondContact O-N 3.24Å |
| 235 | L | 90.8 | Very high | 90.7 | Very high | 21 Ų | 21 | 70.3 Ų | 70.3 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -98.2 | -19.3 | -172.3 | -58.1 | 173.1 | 0 | 0 | 0 | 112.9 | L190 L208 L224 W231 V239 L243 | L190-L235 HydrophobicContact CD2-CD1 4.08Å; L190-L235 HydrophobicContact CD2-CD2 3.73Å; L190-L235 HydrophobicContact CD2-CG 4.38Å; L208-L235 HydrophobicContact CD2-CD2 3.43Å; L208-L235 VanDerWaalsContact CD2-CD2 3.43Å; L224-L235 HydrophobicContact CD2-CD1 4.05Å; W231-L235 HydrophobicContact CB-CD1 4.28Å; W231-L235 HydrophobicContact CE3-CD1 4.48Å; W231-L235 VanDerWaalsContact O-CB 3.24Å; W231-L235 WeakPolarHBondContact O-CB 3.45Å; W231-L235 WeakPolarHBondContact O-CG 3.33Å; W231-L235 PolarHBondContact O-N 2.88Å; L235-V239 HydrophobicContact CB-CB 4.31Å; L235-V239 HydrophobicContact CB-CG1 4.29Å; L235-V239 WeakPolarHBondContact O-CB 3.48Å; L235-L243 HydrophobicContact CD1-CD1 3.97Å |
| 236 | G | 92.1 | Very high | 90.9 | Very high | 33 Ų | 33 | 68.2 Ų | 68.2 | 34% | 0.34 | 37% | 0.373 | S | S | . | . | trans | 75.9 | 152.3 | -164.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q232 R238 V239 F240 | Q232-G236 CarbonylContact O-C 3.59Å; Q232-G236 WeakPolarHBondContact O-CA 3.38Å; Q232-G236 PolarHBondContact O-N 3.12Å; G236-R238 VanDerWaalsContact C-N 3.32Å; G236-R238 PolarHBondContact O-N 3.38Å; G236-V239 PolarHBondContact O-N 2.96Å; G236-F240 WeakPolarHBondContact O-CB 3.19Å; G236-F240 PolarHBondContact O-N 2.95Å | ||
| 237 | N | 92.3 | Very high | 91.1 | Very high | 104 Ų | 104 | 64.1 Ų | 64.1 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57.8 | -40 | -172.5 | -67.3 | -25.2 | 0 | 0 | 0 | 113.6 | S241 | N237-S241 WeakPolarHBondContact O-CB 3.42Å; N237-S241 PolarHBondContact O-N 3.4Å; N237-S241 PolarHBondContact O-OG 3.2Å |
| 238 | R | 91.6 | Very high | 91.1 | Very high | 208 Ų | 208 | 64.8 Ų | 64.8 | 79% | 0.785 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.8 | -46.7 | -176.2 | -63.9 | -174.6 | -178.8 | -162.8 | 0.3 | 112.3 | G236 W242 P250 | G236-R238 VanDerWaalsContact C-N 3.32Å; G236-R238 PolarHBondContact O-N 3.38Å; R238-W242 WeakPolarHBondContact O-CB 3.32Å; R238-W242 PolarHBondContact O-N 3.26Å; R238-W242 VanDerWaalsContact O-N 3.11Å; R238-P250 HydrophobicContact CB-CG 4.28Å |
| 239 | V | 91.2 | Very high | 91 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.1 | -43.6 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | L212 L235 G236 W242 L243 P250 | L212-V239 HydrophobicContact CD1-CG1 3.74Å; L212-V239 HydrophobicContact CD2-CG1 4.24Å; L235-V239 HydrophobicContact CB-CB 4.31Å; L235-V239 HydrophobicContact CB-CG1 4.29Å; L235-V239 WeakPolarHBondContact O-CB 3.48Å; G236-V239 PolarHBondContact O-N 2.96Å; V239-W242 PolarHBondContact O-N 3.19Å; V239-L243 HydrophobicContact CG1-CD1 4.12Å; V239-L243 HydrophobicContact CG1-CG 4.23Å; V239-L243 WeakPolarHBondContact O-CG 3.27Å; V239-L243 PolarHBondContact O-N 3.31Å; V239-P250 HydrophobicContact CG2-CG 4.37Å |
| 240 | F | 93.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.3 | -52.5 | 175.2 | 175.1 | -95.1 | 0 | 0 | 0 | 112.3 | L224 P228 W231 Q232 G236 W242 L243 C244 | L224-F240 HydrophobicContact CB-CE2 4.24Å; L224-F240 WeakPolarHBondContact O-CE2 3.26Å; P228-F240 HydrophobicContact CB-CE2 4.48Å; P228-F240 HydrophobicContact CB-CZ 3.82Å; W231-F240 HydrophobicContact CB-CD2 3.69Å; W231-F240 HydrophobicContact CB-CE2 3.78Å; Q232-F240 HydrophobicContact CG-CB 4.17Å; Q232-F240 HydrophobicContact CG-CD1 3.49Å; Q232-F240 VanDerWaalsContact CG-CD1 3.49Å; Q232-F240 HydrophobicContact CG-CD2 4.16Å; Q232-F240 HydrophobicContact CG-CE1 3.86Å; Q232-F240 HydrophobicContact CG-CE2 4.47Å; Q232-F240 HydrophobicContact CG-CG 3.65Å; Q232-F240 HydrophobicContact CG-CZ 4.33Å; G236-F240 WeakPolarHBondContact O-CB 3.19Å; G236-F240 PolarHBondContact O-N 2.95Å; F240-W242 VanDerWaalsContact C-N 3.26Å; F240-W242 PolarHBondContact O-N 3.42Å; F240-L243 PolarHBondContact O-N 2.78Å; F240-C244 VanDerWaalsContact CZ-SG 3.52Å; F240-C244 WeakPolarHBondContact O-CB 3.33Å; F240-C244 PolarHBondContact O-N 3.22Å; F240-C244 PolarHBondContact O-SG 2.74Å |
| 241 | S | 91.9 | Very high | 90.7 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 178.9 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | N237 G245 L246 A247 | N237-S241 WeakPolarHBondContact O-CB 3.42Å; N237-S241 PolarHBondContact O-N 3.4Å; N237-S241 PolarHBondContact O-OG 3.2Å; S241-G245 PolarHBondContact O-N 3.37Å; S241-L246 WeakPolarHBondContact O-CA 3.5Å; S241-L246 WeakPolarHBondContact O-CB 3.31Å; S241-L246 PolarHBondContact O-N 3.05Å; S241-A247 PolarHBondContact O-N 3.16Å |
| 242 | W | 92.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 62.4 Ų | 62.4 | 4% | 0.038 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.8 | -50.1 | 174 | 170.6 | 49.8 | 0 | 0 | 0 | 112.3 | L212 L215 P218 R238 V239 F240 C244 G245 A247 S249 L253 | L212-W242 HydrophobicContact CB-CZ3 4.4Å; L212-W242 HydrophobicContact CD2-CH2 4.48Å; L212-W242 HydrophobicContact CD2-CZ3 3.8Å; L215-W242 HydrophobicContact CB-CH2 4.3Å; L215-W242 HydrophobicContact CD2-CH2 3.97Å; L215-W242 HydrophobicContact CD2-CZ2 4.44Å; L215-W242 HydrophobicContact CG-CH2 4.45Å; P218-W242 WeakPolarHBondContact CG-O 3.29Å; R238-W242 WeakPolarHBondContact O-CB 3.32Å; R238-W242 PolarHBondContact O-N 3.26Å; R238-W242 VanDerWaalsContact O-N 3.11Å; V239-W242 PolarHBondContact O-N 3.19Å; F240-W242 VanDerWaalsContact C-N 3.26Å; F240-W242 PolarHBondContact O-N 3.42Å; W242-C244 VanDerWaalsContact C-N 3.25Å; W242-C244 PolarHBondContact O-N 2.82Å; W242-G245 WeakPolarHBondContact O-CA 3.46Å; W242-G245 PolarHBondContact O-N 2.81Å; W242-A247 WeakPolarHBondContact CA-O 3.33Å; W242-S249 VanDerWaalsContact CD1-N 3.31Å; W242-L253 HydrophobicContact CE3-CD1 4.15Å; W242-L253 HydrophobicContact CZ3-CD1 3.79Å |
| 243 | L | 91.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 179.5 | -68.6 | -176 | 0 | 0 | 0 | 112.7 | L186 L212 L215 P218 L224 L235 V239 F240 G245 | L186-L243 HydrophobicContact CD2-CD1 4.5Å; L186-L243 HydrophobicContact CD2-CD2 3.86Å; L212-L243 HydrophobicContact CD2-CD1 4.15Å; L212-L243 HydrophobicContact CD2-CD2 3.85Å; L212-L243 HydrophobicContact CD2-CG 4.38Å; L215-L243 HydrophobicContact CD2-CD2 4.37Å; P218-L243 HydrophobicContact CB-CD2 3.77Å; L224-L243 HydrophobicContact CD1-CB 3.58Å; L224-L243 HydrophobicContact CD1-CD1 4.15Å; L235-L243 HydrophobicContact CD1-CD1 3.97Å; V239-L243 HydrophobicContact CG1-CD1 4.12Å; V239-L243 HydrophobicContact CG1-CG 4.23Å; V239-L243 WeakPolarHBondContact O-CG 3.27Å; V239-L243 PolarHBondContact O-N 3.31Å; F240-L243 PolarHBondContact O-N 2.78Å; L243-G245 PolarHBondContact O-N 3.34Å |
| 244 | C | 90.6 | Very high | 89.8 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -4.9 | 173.6 | -71.1 | 0 | 0 | 0 | 0 | 113.9 | F240 W242 L246 | F240-C244 VanDerWaalsContact CZ-SG 3.52Å; F240-C244 WeakPolarHBondContact O-CB 3.33Å; F240-C244 PolarHBondContact O-N 3.22Å; F240-C244 PolarHBondContact O-SG 2.74Å; W242-C244 VanDerWaalsContact C-N 3.25Å; W242-C244 PolarHBondContact O-N 2.82Å; C244-L246 VanDerWaalsContact C-N 3.26Å; C244-L246 HydrophobicContact CB-CD1 3.96Å; C244-L246 HydrophobicContact CB-CG 3.91Å; C244-L246 PolarHBondContact O-N 3.13Å |
| 245 | G | 89.4 | Confident | 89.7 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 62% | 0.619 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 15 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S241 W242 L243 | S241-G245 PolarHBondContact O-N 3.37Å; W242-G245 WeakPolarHBondContact O-CA 3.46Å; W242-G245 PolarHBondContact O-N 2.81Å; L243-G245 PolarHBondContact O-N 3.34Å |
| 246 | L | 90.1 | Very high | 89.4 | Confident | 134 Ų | 134 | 63.2 Ų | 63.2 | 70% | 0.702 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -88.3 | -15.2 | -179.1 | -58.7 | 175.3 | 0 | 0 | 0 | 112.7 | S241 C244 | S241-L246 WeakPolarHBondContact O-CA 3.5Å; S241-L246 WeakPolarHBondContact O-CB 3.31Å; S241-L246 PolarHBondContact O-N 3.05Å; C244-L246 VanDerWaalsContact C-N 3.26Å; C244-L246 HydrophobicContact CB-CD1 3.96Å; C244-L246 HydrophobicContact CB-CG 3.91Å; C244-L246 PolarHBondContact O-N 3.13Å |
| 247 | A | 90.7 | Very high | 89 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -145.2 | 157.5 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | S241 W242 | S241-A247 PolarHBondContact O-N 3.16Å; W242-A247 WeakPolarHBondContact CA-O 3.33Å |
| 248 | P | 88.8 | Confident | 88.4 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 71% | 0.708 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 166.1 | 169.2 | 29.4 | -35.5 | 0 | 0 | 0 | 111.6 | ||
| 249 | S | 87.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 138.6 | 177.3 | -163.9 | 0 | 0 | 0 | 0 | 111.2 | W242 L251 Q254 R257 | W242-S249 VanDerWaalsContact CD1-N 3.31Å; S249-L251 PolarHBondContact O-N 2.08Å; S249-Q254 PolarHBondContact O-NE2 3.27Å; S249-R257 PolarHBondContact OG-NH1 3.1Å; S249-R257 PolarHBondContact OG-NH2 3.03Å |
| 250 | P | 88.5 | Confident | 87 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 134.7 | 176.7 | -26.7 | 32.6 | 0 | 0 | 0 | 112.3 | R238 V239 L252 L253 Q254 | R238-P250 HydrophobicContact CB-CG 4.28Å; V239-P250 HydrophobicContact CG2-CG 4.37Å; P250-L252 PolarHBondContact O-N 3.33Å; P250-L252 VanDerWaalsContact O-N 3.13Å; P250-L253 HydrophobicContact CB-CD1 4.47Å; P250-L253 HydrophobicContact CB-CG 4.42Å; P250-L253 HydrophobicContact CG-CD1 4.13Å; P250-L253 WeakPolarHBondContact O-CB 2.84Å; P250-L253 PolarHBondContact O-N 2.96Å; P250-Q254 PolarHBondContact O-N 3.01Å |
| 251 | L | 88.6 | Confident | 85.9 | Confident | 136 Ų | 136 | 62.3 Ų | 62.3 | 71% | 0.712 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -53.1 | -38.6 | -177.3 | -176.1 | 68.2 | 0 | 0 | 0 | 112.7 | S249 L253 Q254 A255 | S249-L251 PolarHBondContact O-N 2.08Å; L251-L253 PolarHBondContact O-N 2.93Å; L251-Q254 WeakPolarHBondContact O-CB 3.37Å; L251-Q254 PolarHBondContact O-N 3.34Å; L251-A255 WeakPolarHBondContact O-CB 3.14Å; L251-A255 PolarHBondContact O-N 3.03Å |
| 252 | L | 85.6 | Confident | 84.7 | Confident | 123 Ų | 123 | 62.9 Ų | 62.9 | 64% | 0.644 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.2 | -45.8 | 176.2 | 178.8 | 62.8 | 0 | 0 | 0 | 111.9 | P250 Q254 A255 L256 | P250-L252 PolarHBondContact O-N 3.33Å; P250-L252 VanDerWaalsContact O-N 3.13Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-Q254 PolarHBondContact O-N 3.1Å; L252-A255 PolarHBondContact O-N 2.96Å; L252-L256 HydrophobicContact CD1-CD1 4.07Å; L252-L256 HydrophobicContact CD1-CG 4.14Å; L252-L256 HydrophobicContact CG-CD1 3.98Å; L252-L256 HydrophobicContact CG-CG 4.44Å; L252-L256 WeakPolarHBondContact O-CB 3.16Å; L252-L256 VanDerWaalsContact O-CG 3.27Å; L252-L256 WeakPolarHBondContact O-CG 3.45Å; L252-L256 PolarHBondContact O-N 2.89Å |
| 253 | L | 85.3 | Confident | 83.1 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 177.1 | -70.8 | -179.8 | 0 | 0 | 0 | 111.2 | L212 W242 P250 L251 R257 | L212-L253 HydrophobicContact CB-CD1 4.35Å; W242-L253 HydrophobicContact CE3-CD1 4.15Å; W242-L253 HydrophobicContact CZ3-CD1 3.79Å; P250-L253 HydrophobicContact CB-CD1 4.47Å; P250-L253 HydrophobicContact CB-CG 4.42Å; P250-L253 HydrophobicContact CG-CD1 4.13Å; P250-L253 WeakPolarHBondContact O-CB 2.84Å; P250-L253 PolarHBondContact O-N 2.96Å; L251-L253 PolarHBondContact O-N 2.93Å; L253-R257 VanDerWaalsContact O-CB 3.32Å; L253-R257 WeakPolarHBondContact O-CB 3.37Å; L253-R257 VanDerWaalsContact O-CG 3.24Å; L253-R257 WeakPolarHBondContact O-CG 3.14Å; L253-R257 PolarHBondContact O-N 3.07Å |
| 254 | Q | 85.4 | Confident | 81.2 | Confident | 79 Ų | 79 | 68 Ų | 68 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 174.1 | -65.4 | 177.2 | -30.7 | 0 | 0 | 111.6 | S249 P250 L251 L252 R257 C258 | S249-Q254 PolarHBondContact O-NE2 3.27Å; P250-Q254 PolarHBondContact O-N 3.01Å; L251-Q254 WeakPolarHBondContact O-CB 3.37Å; L251-Q254 PolarHBondContact O-N 3.34Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-Q254 PolarHBondContact O-N 3.1Å; Q254-R257 WeakPolarHBondContact O-CB 3.41Å; Q254-R257 PolarHBondContact O-N 2.84Å; Q254-C258 PolarHBondContact O-N 2.93Å; Q254-C258 PolarHBondContact O-SG 3.48Å |
| 255 | A | 86.6 | Confident | 79.4 | Confident | 48 Ų | 48 | 73 Ų | 73 | 40% | 0.397 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L251 L252 R257 C258 L259 | L251-A255 WeakPolarHBondContact O-CB 3.14Å; L251-A255 PolarHBondContact O-N 3.03Å; L252-A255 PolarHBondContact O-N 2.96Å; A255-R257 VanDerWaalsContact C-N 3.31Å; A255-R257 PolarHBondContact O-N 2.96Å; A255-C258 WeakPolarHBondContact O-CB 3.2Å; A255-C258 PolarHBondContact O-N 3.31Å; A255-L259 WeakPolarHBondContact O-CG 3.28Å; A255-L259 PolarHBondContact O-N 3.39Å |
| 256 | L | 84.3 | Confident | 77.5 | Confident | 72 Ų | 72 | 77.7 Ų | 77.7 | 38% | 0.377 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 177.5 | -67.7 | 172.9 | 0 | 0 | 0 | 112.1 | L213 L252 L259 A260 | L213-L256 HydrophobicContact CD1-CB 3.38Å; L252-L256 HydrophobicContact CD1-CD1 4.07Å; L252-L256 HydrophobicContact CD1-CG 4.14Å; L252-L256 HydrophobicContact CG-CD1 3.98Å; L252-L256 HydrophobicContact CG-CG 4.44Å; L252-L256 WeakPolarHBondContact O-CB 3.16Å; L252-L256 VanDerWaalsContact O-CG 3.27Å; L252-L256 WeakPolarHBondContact O-CG 3.45Å; L252-L256 PolarHBondContact O-N 2.89Å; L256-L259 HydrophobicContact CD2-CD1 4.4Å; L256-L259 PolarHBondContact O-N 3.09Å; L256-A260 WeakPolarHBondContact O-CB 3.28Å; L256-A260 PolarHBondContact O-N 3.16Å |
| 257 | R | 83.5 | Confident | 75.7 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 171.7 | -83.9 | 176.5 | -155.1 | 137.6 | 8.5 | 112.3 | L212 L213 L215 S249 L253 Q254 A255 L259 A260 Q261 | L212-R257 PolarHBondContact O-NE 2.57Å; L212-R257 PolarHBondContact O-NH2 2.98Å; L213-R257 HydrophobicContact CD1-CG 4.16Å; L213-R257 WeakPolarHBondContact O-CD 3.31Å; L213-R257 WeakPolarHBondContact O-CG 3.36Å; L213-R257 PolarHBondContact O-NE 3.16Å; L215-R257 PolarHBondContact O-NE 2.65Å; L215-R257 VanDerWaalsContact O-NE 3.17Å; L215-R257 PolarHBondContact O-NH2 3.14Å; L215-R257 VanDerWaalsContact O-NH2 3.16Å; S249-R257 PolarHBondContact OG-NH1 3.1Å; S249-R257 PolarHBondContact OG-NH2 3.03Å; L253-R257 VanDerWaalsContact O-CB 3.32Å; L253-R257 WeakPolarHBondContact O-CB 3.37Å; L253-R257 VanDerWaalsContact O-CG 3.24Å; L253-R257 WeakPolarHBondContact O-CG 3.14Å; L253-R257 PolarHBondContact O-N 3.07Å; Q254-R257 WeakPolarHBondContact O-CB 3.41Å; Q254-R257 PolarHBondContact O-N 2.84Å; A255-R257 VanDerWaalsContact C-N 3.31Å; A255-R257 PolarHBondContact O-N 2.96Å; R257-L259 PolarHBondContact O-N 3.48Å; R257-A260 PolarHBondContact O-N 3.33Å; R257-Q261 WeakPolarHBondContact O-CB 3.43Å; R257-Q261 VanDerWaalsContact O-CG 3.27Å; R257-Q261 WeakPolarHBondContact O-CG 3.49Å; R257-Q261 PolarHBondContact O-N 2.98Å |
| 258 | C | 81.2 | Confident | 73.8 | Confident | 75 Ų | 75 | 78 Ų | 78 | 51% | 0.507 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.4 | -41.8 | 177.5 | -71 | 0 | 0 | 0 | 0 | 110.6 | Q254 A255 S262 | Q254-C258 PolarHBondContact O-N 2.93Å; Q254-C258 PolarHBondContact O-SG 3.48Å; A255-C258 WeakPolarHBondContact O-CB 3.2Å; A255-C258 PolarHBondContact O-N 3.31Å; C258-S262 WeakPolarHBondContact O-CB 3.14Å; C258-S262 PolarHBondContact O-N 3.09Å; C258-S262 PolarHBondContact O-OG 3.03Å |
| 259 | L | 79.2 | Confident | 72.1 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 34% | 0.335 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 175.1 | -68.3 | 173.9 | 0 | 0 | 0 | 112.2 | A255 L256 R257 Q261 S262 L270 | A255-L259 WeakPolarHBondContact O-CG 3.28Å; A255-L259 PolarHBondContact O-N 3.39Å; L256-L259 HydrophobicContact CD2-CD1 4.4Å; L256-L259 PolarHBondContact O-N 3.09Å; R257-L259 PolarHBondContact O-N 3.48Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-Q261 PolarHBondContact O-N 3.44Å; L259-S262 PolarHBondContact O-N 3.13Å; L259-S262 VanDerWaalsContact O-N 3.14Å; L259-L270 HydrophobicContact CD2-CD1 3.8Å; L259-L270 HydrophobicContact CD2-CD2 3.59Å; L259-L270 HydrophobicContact CD2-CG 4.24Å |
| 260 | A | 73.3 | Confident | 70.5 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.1 | -34.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L256 R257 | L256-A260 WeakPolarHBondContact O-CB 3.28Å; L256-A260 PolarHBondContact O-N 3.16Å; R257-A260 PolarHBondContact O-N 3.33Å |
| 261 | Q | 70 | Confident | 69.1 | Low | 153 Ų | 153 | 80 Ų | 80 | 72% | 0.715 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -81.2 | -20.1 | 178.4 | -68.9 | 173 | 1.4 | 0 | 0 | 113.5 | R257 L259 G263 | R257-Q261 WeakPolarHBondContact O-CB 3.43Å; R257-Q261 VanDerWaalsContact O-CG 3.27Å; R257-Q261 WeakPolarHBondContact O-CG 3.49Å; R257-Q261 PolarHBondContact O-N 2.98Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-Q261 PolarHBondContact O-N 3.44Å; Q261-G263 VanDerWaalsContact C-N 3.32Å; Q261-G263 PolarHBondContact O-N 3.06Å |
| 262 | S | 66.4 | Low | 67.6 | Low | 47 Ų | 47 | 79.4 Ų | 79.4 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -80.7 | -9.2 | -175.3 | -70.1 | 0 | 0 | 0 | 0 | 114.2 | C258 L259 R266 | C258-S262 WeakPolarHBondContact O-CB 3.14Å; C258-S262 PolarHBondContact O-N 3.09Å; C258-S262 PolarHBondContact O-OG 3.03Å; L259-S262 PolarHBondContact O-N 3.13Å; L259-S262 VanDerWaalsContact O-N 3.14Å; S262-R266 WeakPolarHBondContact O-CD 3.25Å |
| 263 | G | 57.9 | Low | 66.4 | Low | 38 Ų | 38 | 80.9 Ų | 80.9 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | trans | 72.2 | 165.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q261 D265 R266 | Q261-G263 VanDerWaalsContact C-N 3.32Å; Q261-G263 PolarHBondContact O-N 3.06Å; G263-D265 PolarHBondContact O-N 3.02Å; G263-R266 PolarHBondContact O-N 2.96Å | ||
| 264 | S | 53.1 | Low | 64.5 | Low | 85 Ų | 85 | 84.2 Ų | 84.2 | 59% | 0.594 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -55.4 | -34.9 | -179.3 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | R266 I267 | S264-R266 PolarHBondContact O-N 2.88Å; S264-R266 VanDerWaalsContact O-N 3.16Å; S264-I267 PolarHBondContact O-N 2.89Å; S264-I267 VanDerWaalsContact O-N 3.15Å |
| 265 | D | 52.2 | Low | 63 | Low | 135 Ų | 135 | 83.6 Ų | 83.6 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.9 | -11.7 | -169.9 | -56 | -12.4 | 0 | 0 | 0 | 113 | G263 T268 | G263-D265 PolarHBondContact O-N 3.02Å; D265-T268 PolarHBondContact O-OG1 3.06Å; D265-T268 VanDerWaalsContact O-OG1 3.05Å |
| 266 | R | 49.8 | Very low | 61.1 | Low | 157 Ų | 157 | 86.3 Ų | 86.3 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -103.6 | -12.8 | 174.8 | -68.4 | -173.3 | 176.9 | -164 | 1.4 | 113.6 | S262 G263 S264 T268 S269 L270 | S262-R266 WeakPolarHBondContact O-CD 3.25Å; G263-R266 PolarHBondContact O-N 2.96Å; S264-R266 PolarHBondContact O-N 2.88Å; S264-R266 VanDerWaalsContact O-N 3.16Å; R266-T268 PolarHBondContact O-N 3.14Å; R266-S269 WeakPolarHBondContact CA-OG 3.43Å; R266-S269 CarbonylContact O-C 3.58Å; R266-S269 WeakPolarHBondContact O-CA 3.44Å; R266-S269 WeakPolarHBondContact O-CB 3.39Å; R266-S269 PolarHBondContact O-N 3.34Å; R266-S269 PolarHBondContact O-OG 2.97Å; R266-L270 PolarHBondContact O-N 3.49Å |
| 267 | I | 52.2 | Low | 59.2 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 173.3 | -63.9 | 174.1 | 0 | 0 | 0 | 109.9 | S264 S269 L270 | S264-I267 PolarHBondContact O-N 2.89Å; S264-I267 VanDerWaalsContact O-N 3.15Å; I267-S269 PolarHBondContact O-N 3.26Å; I267-L270 HydrophobicContact CB-CD1 4.32Å; I267-L270 HydrophobicContact CG2-CD1 4Å; I267-L270 WeakPolarHBondContact O-CB 3.42Å; I267-L270 WeakPolarHBondContact O-CG 3.4Å; I267-L270 PolarHBondContact O-N 3.41Å |
| 268 | T | 51.5 | Low | 57.2 | Low | 109 Ų | 109 | 94.5 Ų | 94.5 | 67% | 0.669 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.5 | 170.6 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | D265 R266 Q275 | D265-T268 PolarHBondContact O-OG1 3.06Å; D265-T268 VanDerWaalsContact O-OG1 3.05Å; R266-T268 PolarHBondContact O-N 3.14Å; T268-Q275 PolarHBondContact O-NE2 3.21Å |
| 269 | S | 52.7 | Low | 55.3 | Low | 86 Ų | 86 | 99.3 Ų | 99.3 | 60% | 0.601 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2.9 | 174.5 | 74.9 | 0 | 0 | 0 | 0 | 113.2 | R266 I267 | R266-S269 WeakPolarHBondContact CA-OG 3.43Å; R266-S269 CarbonylContact O-C 3.58Å; R266-S269 WeakPolarHBondContact O-CA 3.44Å; R266-S269 WeakPolarHBondContact O-CB 3.39Å; R266-S269 PolarHBondContact O-N 3.34Å; R266-S269 PolarHBondContact O-OG 2.97Å; I267-S269 PolarHBondContact O-N 3.26Å |
| 270 | L | 53.9 | Low | 53.2 | Low | 33 Ų | 33 | 103.5 Ų | 103.5 | 17% | 0.173 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -68.3 | 146.1 | 174.4 | -68.5 | 169.3 | 0 | 0 | 0 | 109.9 | L259 R266 I267 D272 L274 Q275 | L259-L270 HydrophobicContact CD2-CD1 3.8Å; L259-L270 HydrophobicContact CD2-CD2 3.59Å; L259-L270 HydrophobicContact CD2-CG 4.24Å; R266-L270 PolarHBondContact O-N 3.49Å; I267-L270 HydrophobicContact CB-CD1 4.32Å; I267-L270 HydrophobicContact CG2-CD1 4Å; I267-L270 WeakPolarHBondContact O-CB 3.42Å; I267-L270 WeakPolarHBondContact O-CG 3.4Å; I267-L270 PolarHBondContact O-N 3.41Å; L270-D272 PolarHBondContact O-N 3.44Å; L270-L274 HydrophobicContact CB-CB 4.18Å; L270-L274 HydrophobicContact CD1-CB 4.44Å; L270-Q275 HydrophobicContact CB-CG 4.35Å; L270-Q275 WeakPolarHBondContact O-CG 3.34Å; L270-Q275 PolarHBondContact O-NE2 3.33Å |
| 271 | P | 58.5 | Low | 51.6 | Low | 68 Ų | 68 | 109.3 Ų | 109.3 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | trans | -49.8 | 142.2 | 170.2 | -25.4 | 33.7 | 0 | 0 | 0 | 111.2 | F273 L274 | P271-F273 HydrophobicContact CB-CD1 3.6Å; P271-F273 HydrophobicContact CB-CE1 3.25Å; P271-F273 HydrophobicContact CB-CZ 4.01Å; P271-F273 HydrophobicContact CG-CE1 3.97Å; P271-F273 HydrophobicContact CG-CZ 4.34Å; P271-F273 PolarHBondContact O-N 3.17Å; P271-L274 PolarHBondContact O-N 3.09Å | ||
| 272 | D | 58.1 | Low | 50 | Low | 123 Ų | 123 | 112.4 Ų | 112.4 | 66% | 0.658 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -47.9 | -35.3 | -170.9 | -59.7 | -18.4 | 0 | 0 | 0 | 114 | L270 L274 Q275 H277 | L270-D272 PolarHBondContact O-N 3.44Å; D272-L274 VanDerWaalsContact C-N 3.27Å; D272-L274 PolarHBondContact O-N 3.39Å; D272-Q275 PolarHBondContact O-N 3.37Å; D272-H277 PolarHBondContact O-CE1 3.37Å; D272-H277 VanDerWaalsContact O-CE1 3.23Å |
| 273 | F | 58.5 | Low | 48.9 | Very low | 154 Ų | 154 | 115 Ų | 115 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -69.2 | -16.9 | 179.8 | 69.7 | -91.9 | 0 | 0 | 0 | 115.2 | P271 | P271-F273 HydrophobicContact CB-CD1 3.6Å; P271-F273 HydrophobicContact CB-CE1 3.25Å; P271-F273 HydrophobicContact CB-CZ 4.01Å; P271-F273 HydrophobicContact CG-CE1 3.97Å; P271-F273 HydrophobicContact CG-CZ 4.34Å; P271-F273 PolarHBondContact O-N 3.17Å |
| 274 | L | 45.5 | Very low | 48 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 51% | 0.508 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -104.1 | -6.2 | 175.7 | -64.6 | 177.7 | 0 | 0 | 0 | 112.8 | L270 P271 D272 | L270-L274 HydrophobicContact CB-CB 4.18Å; L270-L274 HydrophobicContact CD1-CB 4.44Å; P271-L274 PolarHBondContact O-N 3.09Å; D272-L274 VanDerWaalsContact C-N 3.27Å; D272-L274 PolarHBondContact O-N 3.39Å |
| 275 | Q | 53.9 | Low | 47.4 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 31% | 0.308 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -71.8 | 137.8 | 173.7 | -63.7 | -174.4 | -1.1 | 0 | 0 | 108.9 | T268 L270 D272 H277 | T268-Q275 PolarHBondContact O-NE2 3.21Å; L270-Q275 HydrophobicContact CB-CG 4.35Å; L270-Q275 WeakPolarHBondContact O-CG 3.34Å; L270-Q275 PolarHBondContact O-NE2 3.33Å; D272-Q275 PolarHBondContact O-N 3.37Å; Q275-H277 PolarHBondContact O-N 3.47Å; Q275-H277 PolarHBondContact O-ND1 3.12Å |
| 276 | P | 47.7 | Very low | 47.1 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | trans | -61.6 | 106 | 172.9 | 23.7 | -29.8 | 0 | 0 | 0 | 107.8 | S278 | P276-S278 PolarHBondContact O-N 3.45Š| ||
| 277 | H | 44.8 | Very low | 47 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 68% | 0.676 | 69% | 0.685 | S | S | * | * | trans | -64.6 | 106.8 | 176.5 | -68.4 | 58.3 | 0 | 0 | 0 | 106.1 | D272 Q275 E279 | D272-H277 PolarHBondContact O-CE1 3.37Å; D272-H277 VanDerWaalsContact O-CE1 3.23Å; Q275-H277 PolarHBondContact O-N 3.47Å; Q275-H277 PolarHBondContact O-ND1 3.12Å; H277-E279 PolarHBondContact O-N 3.05Å | ||
| 278 | S | 40.7 | Very low | 46.7 | Very low | 118 Ų | 118 | 122 Ų | 122 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | trans | -70 | 86 | 168.8 | 16.7 | 0 | 0 | 0 | 0 | 106.1 | P276 N280 | P276-S278 PolarHBondContact O-N 3.45Å; S278-N280 PolarHBondContact O-N 3.01Å | ||
| 279 | E | 41.7 | Very low | 46.4 | Very low | 177 Ų | 177 | 122.8 Ų | 122.8 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | trans | -64.1 | 91.9 | 160.2 | -76.6 | -162 | 153.9 | 0 | 0 | 107.1 | H277 | H277-E279 PolarHBondContact O-N 3.05Š| ||
| 280 | N | 34 | Very low | 46 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 81% | 0.807 | 71% | 0.711 | S | S | * | * | trans | -124.7 | 96.1 | 151 | -136.8 | -5.6 | 0 | 0 | 0 | 109 | S278 R282 | S278-N280 PolarHBondContact O-N 3.01Å; N280-R282 PolarHBondContact O-N 2.99Å | ||
| 281 | K | 41.3 | Very low | 45.5 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -49 | 129.4 | 160.4 | -73.6 | 171.4 | 175.2 | 171.2 | 0 | 109.3 | ||||
| 282 | R | 35.8 | Very low | 44.5 | Very low | 217 Ų | 217 | 135.7 Ų | 135.7 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | -165.3 | 94.3 | 115.4 | -106 | 177.8 | -94.1 | -173.5 | -5.4 | 110.9 | N280 | N280-R282 PolarHBondContact O-N 2.99Š| |||
| 283 | A | 42.3 | Very low | 43.5 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -65.2 | 115.7 | 134.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 284 | C | 39.9 | Very low | 42.3 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -139.6 | 129.3 | 150 | -86.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 285 | G | 39.5 | Very low | 42 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 100% | 1.619 | 81% | 0.811 | S | S | * | * | trans | -71.2 | 0 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 |
Retrieved 285 of 285 residues in 283.2 ms
(Link to these results)