| 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 | 35 | Very low | 44.6 | Very low | 235 Ų | 235 | 123.1 Ų | 123.1 | 100% | 1.158 | 63% | 0.629 | S | S | * | * | 0 | 114.1 | 0 | -96.9 | -177.7 | -86.1 | 0 | 0 | 106.7 | |||||
| 2 | V | 31.5 | Very low | 44.9 | Very low | 135 Ų | 135 | 115.9 Ų | 115.9 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | trans | -89.2 | 105 | 176 | -175.9 | 0 | 0 | 0 | 0 | 105.5 | S4 | V2-S4 PolarHBondContact O-N 3.15Š| ||
| 3 | D | 31.3 | Very low | 44.4 | Very low | 149 Ų | 149 | 117.6 Ų | 117.6 | 80% | 0.797 | 63% | 0.626 | S | S | * | * | trans | -68.5 | 78.8 | 171.3 | -84 | -28.2 | 0 | 0 | 0 | 109 | I5 | D3-I5 PolarHBondContact O-N 3.17Å; D3-I5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | S | 38.7 | Very low | 44.3 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 73% | 0.727 | 62% | 0.617 | S | S | * | * | trans | -75 | 92.2 | 167.2 | 56.6 | 0 | 0 | 0 | 0 | 108.1 | V2 Y6 | V2-S4 PolarHBondContact O-N 3.15Å; S4-Y6 PolarHBondContact O-N 3.02Å; S4-Y6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | I | 48.6 | Very low | 44.5 | Very low | 127 Ų | 127 | 107.6 Ų | 107.6 | 65% | 0.651 | 59% | 0.589 | S | S | * | * | trans | -60.4 | 115.6 | 170.2 | -61.4 | 171.6 | 0 | 0 | 0 | 107.7 | D3 R7 | D3-I5 PolarHBondContact O-N 3.17Å; D3-I5 VanDerWaalsContact O-N 3.07Å; I5-R7 HydrophobicContact CG2-CG 4.05Å; I5-R7 PolarHBondContact O-N 2.92Å | ||
| 6 | Y | 47.6 | Very low | 44.8 | Very low | 138 Ų | 138 | 112.5 Ų | 112.5 | 54% | 0.541 | 61% | 0.607 | S | S | . | * | trans | -69.8 | 103.2 | 173.8 | -165 | -87 | 0 | 0 | 0 | 108.9 | S4 S206 | S4-Y6 PolarHBondContact O-N 3.02Å; S4-Y6 VanDerWaalsContact O-N 3.15Å; Y6-S206 WeakPolarHBondContact OH-CB 3.18Å | ||
| 7 | R | 52.5 | Low | 45.1 | Very low | 129 Ų | 129 | 109.8 Ų | 109.8 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | trans | -93.7 | 133.2 | 175 | -64.2 | -174 | 179.2 | -179.6 | -0.2 | 109.8 | I5 R9 L11 R240 | I5-R7 HydrophobicContact CG2-CG 4.05Å; I5-R7 PolarHBondContact O-N 2.92Å; R7-R9 PolarHBondContact O-N 3.33Å; R7-L11 VanDerWaalsContact NH1-CD1 3.27Å; R7-R240 PolarHBondContact O-NH1 2.89Å | ||
| 8 | T | 53.9 | Low | 45.7 | Very low | 67 Ų | 67 | 105.1 Ų | 105.1 | 41% | 0.411 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -73.3 | -11.7 | 175.9 | 55 | 0 | 0 | 0 | 0 | 112.9 | M216 S242 | T8-M216 HydrophobicContact CG2-CE 3.57Å; T8-M216 HydrophobicContact CG2-SD 4.39Å; T8-S242 PolarHBondContact O-OG 3.33Å |
| 9 | R | 56.1 | Low | 46.6 | Very low | 103 Ų | 103 | 102 Ų | 102 | 39% | 0.389 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -163.1 | 169.3 | -177.1 | 59.8 | 175.9 | 176.1 | 154.2 | -3.4 | 113.3 | R7 | R7-R9 PolarHBondContact O-N 3.33Š|
| 10 | S | 49 | Very low | 47.9 | Very low | 38 Ų | 38 | 97.9 Ų | 97.9 | 27% | 0.266 | 55% | 0.547 | S | S | . | . | trans | -75 | 161.5 | 165.7 | -62.5 | 0 | 0 | 0 | 0 | 112.9 | D24 | S10-D24 VanDerWaalsContact CB-CG 3.47Å; S10-D24 WeakPolarHBondContact CB-OD2 3.19Å; S10-D24 PolarHBondContact OG-OD2 2.97Å | ||
| 11 | L | 46.3 | Very low | 49.1 | Very low | 129 Ų | 129 | 94.4 Ų | 94.4 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | trans | -84.6 | 132 | -178.4 | -69.1 | 172.7 | 0 | 0 | 0 | 111.7 | R7 | R7-L11 VanDerWaalsContact NH1-CD1 3.27Š| ||
| 12 | G | 47.8 | Very low | 51 | Low | 37 Ų | 37 | 84.6 Ų | 84.6 | 38% | 0.381 | 48% | 0.476 | S | S | . | . | trans | -172.9 | 166.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 13 | V | 38.7 | Very low | 52.9 | Low | 138 Ų | 138 | 79 Ų | 79 | 84% | 0.836 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 136.8 | -177.9 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 14 | A | 42.9 | Very low | 54.7 | Low | 61 Ų | 61 | 74.5 Ų | 74.5 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 152.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 15 | A | 48.2 | Very low | 56.1 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 20% | 0.198 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 154.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | G17 L18 | A15-G17 PolarHBondContact O-N 3.27Å; A15-L18 PolarHBondContact O-N 3.33Å |
| 16 | E | 48 | Very low | 57.3 | Low | 186 Ų | 186 | 67.3 Ų | 67.3 | 87% | 0.869 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 125.3 | -175.7 | -73.8 | -173 | 168.4 | 0 | 0 | 112.2 | L18 N117 | E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 2.81Å; E16-L18 VanDerWaalsContact O-N 3.13Å; E16-N117 PolarHBondContact O-ND2 3.25Å; E16-N117 VanDerWaalsContact O-ND2 3.11Å |
| 17 | G | 51.2 | Low | 58.4 | Low | 66 Ų | 66 | 60.8 Ų | 60.8 | 68% | 0.68 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -11.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | A15 | A15-G17 PolarHBondContact O-N 3.27Š|
| 18 | L | 56.2 | Low | 59.4 | Low | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -125.9 | 115.7 | 177.9 | -111.6 | 148.6 | 0 | 0 | 0 | 110.8 | A15 E16 D20 N117 L119 L144 | A15-L18 PolarHBondContact O-N 3.33Å; E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 2.81Å; E16-L18 VanDerWaalsContact O-N 3.13Å; L18-D20 PolarHBondContact O-N 3.45Å; L18-N117 WeakPolarHBondContact CD1-ND2 3.35Å; L18-N117 WeakPolarHBondContact CD1-OD1 3.28Å; L18-L119 HydrophobicContact CD1-CD1 3.95Å; L18-L119 HydrophobicContact CD1-CG 4.06Å; L18-L119 HydrophobicContact CG-CD1 4.24Å; L18-L144 HydrophobicContact CD1-CD1 4.03Å; L18-L144 HydrophobicContact CD2-CD1 3.73Å; L18-L144 HydrophobicContact CG-CD1 3.96Å |
| 19 | P | 62.8 | Low | 60.4 | Low | 47 Ų | 47 | 56.6 Ų | 56.6 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | trans | -65.8 | 109.3 | 175.2 | 1.4 | 7.3 | 0 | 0 | 0 | 110.4 | Q21 | P19-Q21 PolarHBondContact O-N 3.3Š| ||
| 20 | D | 71.3 | Confident | 61.2 | Low | 20 Ų | 20 | 51.7 Ų | 51.7 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | trans | -68.9 | 113.2 | 179.2 | -177.2 | 9.2 | 0 | 0 | 0 | 110.8 | L18 Y22 A23 S88 | L18-D20 PolarHBondContact O-N 3.45Å; D20-Y22 PolarHBondContact O-N 2.88Å; D20-Y22 WeakPolarHBondContact OD1-CA 3.42Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.38Å; D20-Y22 PolarHBondContact OD1-N 3.09Å; D20-A23 HydrophobicContact CB-CB 3.94Å; D20-A23 PolarHBondContact OD2-N 3.37Å; D20-S88 PolarHBondContact OD1-OG 3.04Å; D20-S88 PolarHBondContact OD2-OG 3.36Å | ||
| 21 | Q | 74.2 | Confident | 62.3 | Low | 25 Ų | 25 | 51.2 Ų | 51.2 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.4 | 177.1 | -61.4 | -169.1 | 57.3 | 0 | 0 | 112.7 | P19 H143 L241 S242 | P19-Q21 PolarHBondContact O-N 3.3Å; Q21-H143 PolarHBondContact NE2-ND1 2.8Å; Q21-H143 PolarHBondContact NE2-O 3.38Å; Q21-L241 HydrophobicContact CB-CD2 4.25Å; Q21-S242 PolarHBondContact NE2-O 2.82Å; Q21-S242 PolarHBondContact OE1-O 2.83Å |
| 22 | Y | 74.4 | Confident | 63.4 | Low | 29 Ų | 29 | 49.3 Ų | 49.3 | 11% | 0.114 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -1.1 | -179.8 | -56.9 | -79.3 | 0 | 0 | 0 | 113.1 | D20 D24 G25 A27 S88 M91 H143 L241 | D20-Y22 PolarHBondContact O-N 2.88Å; D20-Y22 WeakPolarHBondContact OD1-CA 3.42Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.38Å; D20-Y22 PolarHBondContact OD1-N 3.09Å; Y22-D24 PolarHBondContact O-N 2.82Å; Y22-D24 VanDerWaalsContact O-N 3.12Å; Y22-G25 PolarHBondContact O-N 3.09Å; Y22-A27 HydrophobicContact CD1-CB 3.7Å; Y22-A27 HydrophobicContact CE1-CB 4.26Å; Y22-S88 WeakPolarHBondContact CB-OG 3.2Å; Y22-M91 HydrophobicContact CD1-CG 4.31Å; Y22-M91 HydrophobicContact CD1-SD 4.05Å; Y22-M91 HydrophobicContact CD2-CG 4.35Å; Y22-M91 HydrophobicContact CE1-CE 4.49Å; Y22-M91 HydrophobicContact CE1-SD 4.41Å; Y22-M91 HydrophobicContact CG-CG 4.04Å; Y22-M91 HydrophobicContact CG-SD 4.38Å; Y22-H143 AromaticContact CZ-CE1 3.99Å; Y22-H143 AromaticContact CZ-NE2 3.95Å; Y22-H143 PolarHBondContact OH-CE1 3.19Å; Y22-H143 PolarHBondContact OH-NE2 3.13Å; Y22-L241 HydrophobicContact CE1-CD1 4.41Å; Y22-L241 HydrophobicContact CE1-CD2 3.96Å |
| 23 | A | 70.9 | Confident | 64.6 | Low | 16 Ų | 16 | 49.7 Ų | 49.7 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | D20 G25 | D20-A23 HydrophobicContact CB-CB 3.94Å; D20-A23 PolarHBondContact OD2-N 3.37Å; A23-G25 PolarHBondContact O-N 3.49Å |
| 24 | D | 68.6 | Low | 66 | Low | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12.2 | 173.1 | 77.2 | -7.6 | 0 | 0 | 0 | 113.2 | S10 Y22 E26 A27 | S10-D24 VanDerWaalsContact CB-CG 3.47Å; S10-D24 WeakPolarHBondContact CB-OD2 3.19Å; S10-D24 PolarHBondContact OG-OD2 2.97Å; Y22-D24 PolarHBondContact O-N 2.82Å; Y22-D24 VanDerWaalsContact O-N 3.12Å; D24-E26 PolarHBondContact O-N 3.2Å; D24-E26 PolarHBondContact OD1-N 3.23Å; D24-A27 PolarHBondContact OD1-N 2.89Å |
| 25 | G | 69.6 | Low | 67.1 | Low | 25 Ų | 25 | 41.2 Ų | 41.2 | 26% | 0.258 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 68.5 | -14.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y22 A23 A28 R29 | Y22-G25 PolarHBondContact O-N 3.09Å; A23-G25 PolarHBondContact O-N 3.49Å; G25-A28 PolarHBondContact O-N 2.79Å; G25-R29 VanDerWaalsContact O-CB 3.29Å; G25-R29 WeakPolarHBondContact O-CB 3.24Å; G25-R29 PolarHBondContact O-N 3.05Å |
| 26 | E | 73.2 | Confident | 67.9 | Low | 55 Ų | 55 | 41 Ų | 41 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.9 | -42.7 | 179.6 | -179 | 60.8 | -170.1 | 0 | 0 | 110 | D24 A28 R29 V30 S237 | D24-E26 PolarHBondContact O-N 3.2Å; D24-E26 PolarHBondContact OD1-N 3.23Å; E26-A28 VanDerWaalsContact C-N 3.33Å; E26-A28 PolarHBondContact O-N 3.44Å; E26-R29 PolarHBondContact O-N 2.93Å; E26-R29 IonicContact OE1-CZ 3.6Å; E26-R29 IonicContact OE1-NE 3.7Å; E26-R29 IonicContact OE1-NH2 2.69Å; E26-R29 PolarHBondContact OE1-NH2 2.96Å; E26-R29 IonicContact OE2-CZ 2.91Å; E26-R29 IonicContact OE2-NE 3.3Å; E26-R29 PolarHBondContact OE2-NE 2.94Å; E26-R29 IonicContact OE2-NH2 3.42Å; E26-R29 PolarHBondContact OE2-NH2 2.94Å; E26-V30 HydrophobicContact CG-CG2 4.26Å; E26-V30 WeakPolarHBondContact O-CB 3.22Å; E26-V30 VanDerWaalsContact O-CG2 3.29Å; E26-V30 WeakPolarHBondContact O-CG2 3.3Å; E26-V30 PolarHBondContact O-N 3.42Å; E26-V30 WeakPolarHBondContact OE1-CG2 3.48Å; E26-S237 PolarHBondContact OE1-OG 3.36Å |
| 27 | A | 71.2 | Confident | 68.5 | Low | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.1 | -50.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y22 D24 R29 V30 W31 F239 | Y22-A27 HydrophobicContact CD1-CB 3.7Å; Y22-A27 HydrophobicContact CE1-CB 4.26Å; D24-A27 PolarHBondContact OD1-N 2.89Å; A27-R29 PolarHBondContact O-N 3.42Å; A27-V30 PolarHBondContact O-N 2.84Å; A27-W31 WeakPolarHBondContact O-CA 3.19Å; A27-W31 WeakPolarHBondContact O-CB 3.46Å; A27-W31 PolarHBondContact O-N 3.33Å; A27-F239 HydrophobicContact CB-CD2 4.25Å |
| 28 | A | 72.4 | Confident | 68.9 | Low | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G25 E26 W31 K90 M91 Y94 | G25-A28 PolarHBondContact O-N 2.79Å; E26-A28 VanDerWaalsContact C-N 3.33Å; E26-A28 PolarHBondContact O-N 3.44Å; A28-W31 WeakPolarHBondContact O-CB 3.39Å; A28-W31 PolarHBondContact O-N 2.81Å; A28-K90 HydrophobicContact CB-CB 4.14Å; A28-M91 HydrophobicContact CB-SD 3.77Å; A28-Y94 HydrophobicContact CB-CE2 3.98Å |
| 29 | R | 76.2 | Confident | 68.9 | Low | 106 Ų | 106 | 46.2 Ų | 46.2 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.2 | -46.5 | 177 | -172.1 | -167.2 | 71.9 | 77.3 | -1.7 | 111.9 | G25 E26 A27 W31 | G25-R29 VanDerWaalsContact O-CB 3.29Å; G25-R29 WeakPolarHBondContact O-CB 3.24Å; G25-R29 PolarHBondContact O-N 3.05Å; E26-R29 PolarHBondContact O-N 2.93Å; E26-R29 IonicContact OE1-CZ 3.6Å; E26-R29 IonicContact OE1-NE 3.7Å; E26-R29 IonicContact OE1-NH2 2.69Å; E26-R29 PolarHBondContact OE1-NH2 2.96Å; E26-R29 IonicContact OE2-CZ 2.91Å; E26-R29 IonicContact OE2-NE 3.3Å; E26-R29 PolarHBondContact OE2-NE 2.94Å; E26-R29 IonicContact OE2-NH2 3.42Å; E26-R29 PolarHBondContact OE2-NH2 2.94Å; A27-R29 PolarHBondContact O-N 3.42Å; R29-W31 VanDerWaalsContact C-N 3.3Å |
| 30 | V | 72.9 | Confident | 68.5 | Low | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -76.7 | -22.6 | 179.3 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | E26 A27 Q32 L33 Y34 V223 S237 F239 | E26-V30 HydrophobicContact CG-CG2 4.26Å; E26-V30 WeakPolarHBondContact O-CB 3.22Å; E26-V30 VanDerWaalsContact O-CG2 3.29Å; E26-V30 WeakPolarHBondContact O-CG2 3.3Å; E26-V30 PolarHBondContact O-N 3.42Å; E26-V30 WeakPolarHBondContact OE1-CG2 3.48Å; A27-V30 PolarHBondContact O-N 2.84Å; V30-Q32 PolarHBondContact O-N 2.88Å; V30-L33 CarbonylContact O-C 3.52Å; V30-L33 WeakPolarHBondContact O-CA 3.25Å; V30-L33 WeakPolarHBondContact O-CB 3.18Å; V30-L33 PolarHBondContact O-N 3.3Å; V30-Y34 PolarHBondContact O-N 2.89Å; V30-V223 HydrophobicContact CG1-CB 3.84Å; V30-V223 HydrophobicContact CG1-CG1 4.15Å; V30-V223 HydrophobicContact CG1-CG2 3.96Å; V30-S237 WeakPolarHBondContact CG2-OG 3.44Å; V30-F239 HydrophobicContact CB-CD1 4.01Å; V30-F239 HydrophobicContact CB-CE1 4.18Å; V30-F239 HydrophobicContact CG1-CD1 3.7Å; V30-F239 HydrophobicContact CG1-CE1 3.6Å |
| 31 | W | 70.6 | Confident | 68.4 | Low | 28 Ų | 28 | 45.8 Ų | 45.8 | 11% | 0.106 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56 | -39.5 | 179.6 | -161.3 | 85.1 | 0 | 0 | 0 | 111.2 | A27 A28 R29 L33 Y34 I35 T68 V70 M91 | A27-W31 WeakPolarHBondContact O-CA 3.19Å; A27-W31 WeakPolarHBondContact O-CB 3.46Å; A27-W31 PolarHBondContact O-N 3.33Å; A28-W31 WeakPolarHBondContact O-CB 3.39Å; A28-W31 PolarHBondContact O-N 2.81Å; R29-W31 VanDerWaalsContact C-N 3.3Å; W31-L33 VanDerWaalsContact C-N 3.25Å; W31-L33 PolarHBondContact O-N 3.04Å; W31-Y34 PolarHBondContact O-N 3.13Å; W31-Y34 VanDerWaalsContact O-N 3.12Å; W31-I35 HydrophobicContact CD2-CD1 4.48Å; W31-I35 HydrophobicContact CD2-CG2 3.62Å; W31-I35 HydrophobicContact CE3-CD1 3.49Å; W31-I35 VanDerWaalsContact CE3-CD1 3.49Å; W31-I35 HydrophobicContact CE3-CG1 4.37Å; W31-I35 HydrophobicContact CE3-CG2 3.59Å; W31-I35 HydrophobicContact CG-CG2 4.39Å; W31-I35 HydrophobicContact CH2-CD1 4.26Å; W31-I35 HydrophobicContact CH2-CG2 3.61Å; W31-I35 HydrophobicContact CZ2-CG2 3.64Å; W31-I35 HydrophobicContact CZ3-CB 4.47Å; W31-I35 HydrophobicContact CZ3-CD1 3.32Å; W31-I35 HydrophobicContact CZ3-CG1 4.38Å; W31-I35 HydrophobicContact CZ3-CG2 3.54Å; W31-I35 VanDerWaalsContact O-CG1 3.31Å; W31-I35 WeakPolarHBondContact O-CG1 3.18Å; W31-I35 WeakPolarHBondContact O-CG2 3.22Å; W31-I35 PolarHBondContact O-N 3.32Å; W31-T68 HydrophobicContact CD2-CG2 4.29Å; W31-T68 HydrophobicContact CE3-CG2 3.35Å; W31-T68 HydrophobicContact CZ3-CG2 3.52Å; W31-T68 WeakPolarHBondContact CZ3-OG1 3.29Å; W31-V70 HydrophobicContact CH2-CG1 4.33Å; W31-V70 HydrophobicContact CH2-CG2 3.71Å; W31-V70 HydrophobicContact CZ3-CG1 4.13Å; W31-V70 HydrophobicContact CZ3-CG2 4.33Å; W31-M91 HydrophobicContact CD2-CE 3.79Å; W31-M91 HydrophobicContact CE3-CE 4.19Å; W31-M91 HydrophobicContact CG-CE 4.06Å; W31-M91 HydrophobicContact CZ2-CE 4.24Å |
| 32 | Q | 71.2 | Confident | 68.1 | Low | 89 Ų | 89 | 46.2 Ų | 46.2 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -31 | 173.6 | -64.8 | -167.3 | -42.2 | 0 | 0 | 113.8 | V30 I35 G36 Y94 | V30-Q32 PolarHBondContact O-N 2.88Å; Q32-I35 WeakPolarHBondContact O-CG1 3.37Å; Q32-G36 PolarHBondContact O-N 2.91Å; Q32-Y94 HydrophobicContact CG-CE1 4.4Å |
| 33 | L | 71.1 | Confident | 68.4 | Low | 46 Ų | 46 | 48.9 Ų | 48.9 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -82.1 | -35.1 | 173.9 | -59.6 | 173.5 | 0 | 0 | 0 | 111.5 | V30 W31 G36 S197 L199 V223 V225 | V30-L33 CarbonylContact O-C 3.52Å; V30-L33 WeakPolarHBondContact O-CA 3.25Å; V30-L33 WeakPolarHBondContact O-CB 3.18Å; V30-L33 PolarHBondContact O-N 3.3Å; W31-L33 VanDerWaalsContact C-N 3.25Å; W31-L33 PolarHBondContact O-N 3.04Å; L33-G36 PolarHBondContact O-N 2.79Å; L33-S197 PolarHBondContact O-OG 2.98Å; L33-L199 HydrophobicContact CB-CD1 4.33Å; L33-L199 HydrophobicContact CD2-CD1 4.32Å; L33-V223 HydrophobicContact CB-CG1 4Å; L33-V225 HydrophobicContact CD1-CB 4.29Å; L33-V225 HydrophobicContact CD1-CG1 3.95Å; L33-V225 HydrophobicContact CD1-CG2 3.81Å |
| 34 | Y | 69 | Low | 69 | Low | 20 Ų | 20 | 52.9 Ų | 52.9 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 177.2 | 175.7 | -102.8 | 0 | 0 | 0 | 111.9 | V30 W31 G36 N192 S197 T200 Y221 V223 F239 | V30-Y34 PolarHBondContact O-N 2.89Å; W31-Y34 PolarHBondContact O-N 3.13Å; W31-Y34 VanDerWaalsContact O-N 3.12Å; Y34-G36 PolarHBondContact O-N 2.98Å; Y34-N192 PolarHBondContact OH-ND2 2.91Å; Y34-S197 WeakPolarHBondContact O-CB 3.19Å; Y34-S197 PolarHBondContact O-OG 3.47Å; Y34-T200 HydrophobicContact CD2-CG2 4.45Å; Y34-T200 VanDerWaalsContact CD2-OG1 3.31Å; Y34-T200 WeakPolarHBondContact CD2-OG1 3.48Å; Y34-T200 HydrophobicContact CE2-CG2 4.15Å; Y34-T200 WeakPolarHBondContact CE2-OG1 3.31Å; Y34-Y221 HydrophobicContact CD2-CD1 4.13Å; Y34-Y221 AromaticContact CE2-CD1 3.58Å; Y34-Y221 HydrophobicContact CE2-CD1 3.58Å; Y34-Y221 AromaticContact CE2-CE1 3.75Å; Y34-Y221 HydrophobicContact CE2-CE1 3.75Å; Y34-Y221 AromaticContact CZ-CE1 3.83Å; Y34-V223 HydrophobicContact CD2-CG2 4.16Å; Y34-F239 HydrophobicContact CD2-CZ 4.3Å; Y34-F239 HydrophobicContact CG-CZ 4.18Å |
| 35 | I | 66.9 | Low | 70 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.3 | -26.3 | 172.9 | 69.5 | -168.2 | 0 | 0 | 0 | 111.7 | W31 Q32 T38 V70 Y195 | W31-I35 HydrophobicContact CD2-CD1 4.48Å; W31-I35 HydrophobicContact CD2-CG2 3.62Å; W31-I35 HydrophobicContact CE3-CD1 3.49Å; W31-I35 VanDerWaalsContact CE3-CD1 3.49Å; W31-I35 HydrophobicContact CE3-CG1 4.37Å; W31-I35 HydrophobicContact CE3-CG2 3.59Å; W31-I35 HydrophobicContact CG-CG2 4.39Å; W31-I35 HydrophobicContact CH2-CD1 4.26Å; W31-I35 HydrophobicContact CH2-CG2 3.61Å; W31-I35 HydrophobicContact CZ2-CG2 3.64Å; W31-I35 HydrophobicContact CZ3-CB 4.47Å; W31-I35 HydrophobicContact CZ3-CD1 3.32Å; W31-I35 HydrophobicContact CZ3-CG1 4.38Å; W31-I35 HydrophobicContact CZ3-CG2 3.54Å; W31-I35 VanDerWaalsContact O-CG1 3.31Å; W31-I35 WeakPolarHBondContact O-CG1 3.18Å; W31-I35 WeakPolarHBondContact O-CG2 3.22Å; W31-I35 PolarHBondContact O-N 3.32Å; Q32-I35 WeakPolarHBondContact O-CG1 3.37Å; I35-T38 HydrophobicContact CD1-CG2 3.44Å; I35-T38 VanDerWaalsContact CD1-CG2 3.44Å; I35-T38 HydrophobicContact CG1-CG2 4.16Å; I35-V70 HydrophobicContact CD1-CG1 4.19Å; I35-Y195 HydrophobicContact CB-CD1 3.53Å; I35-Y195 HydrophobicContact CB-CE1 3.77Å; I35-Y195 HydrophobicContact CB-CG 3.98Å; I35-Y195 HydrophobicContact CG2-CD1 3.77Å; I35-Y195 HydrophobicContact CG2-CD2 4.18Å; I35-Y195 HydrophobicContact CG2-CE1 3.6Å; I35-Y195 HydrophobicContact CG2-CE2 4.03Å; I35-Y195 HydrophobicContact CG2-CG 4.05Å |
| 36 | G | 63.7 | Low | 71 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | trans | 75.2 | -142.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q32 L33 Y34 T38 | Q32-G36 PolarHBondContact O-N 2.91Å; L33-G36 PolarHBondContact O-N 2.79Å; Y34-G36 PolarHBondContact O-N 2.98Å; G36-T38 PolarHBondContact O-N 2.83Å | ||
| 37 | D | 61.5 | Low | 71.9 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | trans | -66.8 | 115.8 | 175.8 | 178 | 14.8 | 0 | 0 | 0 | 109.6 | R39 S40 | D37-R39 PolarHBondContact O-N 2.66Å; D37-R39 VanDerWaalsContact O-N 3.15Å; D37-R39 WeakPolarHBondContact OD1-CB 3.36Å; D37-R39 PolarHBondContact OD1-N 3.31Å; D37-R39 IonicContact OD1-NE 2.73Å; D37-S40 WeakPolarHBondContact O-CA 3.11Å; D37-S40 VanDerWaalsContact O-CB 3.24Å; D37-S40 WeakPolarHBondContact O-CB 3.44Å; D37-S40 PolarHBondContact O-N 2.95Å; D37-S40 PolarHBondContact O-OG 3.45Å | ||
| 38 | T | 58.3 | Low | 73.1 | Confident | 78 Ų | 78 | 55.1 Ų | 55.1 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -63.3 | -19.3 | 178.3 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | I35 G36 S40 V70 | I35-T38 HydrophobicContact CD1-CG2 3.44Å; I35-T38 VanDerWaalsContact CD1-CG2 3.44Å; I35-T38 HydrophobicContact CG1-CG2 4.16Å; G36-T38 PolarHBondContact O-N 2.83Å; T38-S40 VanDerWaalsContact C-N 3.27Å; T38-V70 HydrophobicContact CG2-CG1 3.72Å |
| 39 | R | 56.2 | Low | 74.3 | Confident | 223 Ų | 223 | 55.1 Ų | 55.1 | 84% | 0.842 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -78.9 | -10.6 | 170.1 | -65 | 177.8 | -97.3 | -166.9 | -11.5 | 113.2 | D37 | D37-R39 PolarHBondContact O-N 2.66Å; D37-R39 VanDerWaalsContact O-N 3.15Å; D37-R39 WeakPolarHBondContact OD1-CB 3.36Å; D37-R39 PolarHBondContact OD1-N 3.31Å; D37-R39 IonicContact OD1-NE 2.73Å |
| 40 | S | 55.4 | Low | 75.3 | Confident | 35 Ų | 35 | 50.4 Ų | 50.4 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -96.4 | 21.4 | -177.8 | 79.8 | 0 | 0 | 0 | 0 | 114.1 | D37 T38 T42 | D37-S40 WeakPolarHBondContact O-CA 3.11Å; D37-S40 VanDerWaalsContact O-CB 3.24Å; D37-S40 WeakPolarHBondContact O-CB 3.44Å; D37-S40 PolarHBondContact O-N 2.95Å; D37-S40 PolarHBondContact O-OG 3.45Å; T38-S40 VanDerWaalsContact C-N 3.27Å; S40-T42 PolarHBondContact O-N 3.48Å |
| 41 | R | 69.4 | Low | 76.5 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 9% | 0.087 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -48.7 | 135.8 | 160.5 | -82.6 | -155.7 | 127.4 | 122.7 | -2.8 | 108.7 | A43 Y45 V70 D71 | R41-A43 PolarHBondContact O-N 2.93Å; R41-Y45 HydrophobicContact CB-CD1 4.33Å; R41-Y45 VanDerWaalsContact CD-CD1 3.48Å; R41-Y45 VanDerWaalsContact CD-CE1 3.43Å; R41-Y45 HydrophobicContact CG-CD1 4.36Å; R41-Y45 VanDerWaalsContact CZ-CE1 3.47Å; R41-Y45 VanDerWaalsContact NE-CD1 3.29Å; R41-V70 PolarHBondContact NH1-O 3.29Å; R41-D71 IonicContact CZ-OD1 3.18Å; R41-D71 IonicContact CZ-OD2 2.71Å; R41-D71 IonicContact NE-OD1 2.92Å; R41-D71 VanDerWaalsContact NH1-CA 3.25Å; R41-D71 IonicContact NH1-OD1 3.48Å; R41-D71 PolarHBondContact NH1-OD1 2.82Å; R41-D71 IonicContact NH1-OD2 3.66Å; R41-D71 PolarHBondContact NH1-OD2 2.96Å; R41-D71 IonicContact NH2-OD1 2.68Å; R41-D71 PolarHBondContact NH2-OD1 2.95Å; R41-D71 IonicContact NH2-OD2 2.84Å; R41-D71 PolarHBondContact NH2-OD2 3.46Å |
| 42 | T | 68 | Low | 77.8 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | trans | -58.3 | 133 | -175.5 | 60.9 | 0 | 0 | 0 | 0 | 108.6 | S40 E44 Y45 K46 I193 | S40-T42 PolarHBondContact O-N 3.48Å; T42-E44 PolarHBondContact O-N 3.43Å; T42-E44 VanDerWaalsContact O-N 3.13Å; T42-Y45 PolarHBondContact O-N 2.93Å; T42-Y45 VanDerWaalsContact OG1-CB 3.22Å; T42-Y45 WeakPolarHBondContact OG1-CB 3.35Å; T42-Y45 PolarHBondContact OG1-N 3.12Å; T42-K46 PolarHBondContact O-N 2.94Å; T42-K46 VanDerWaalsContact O-N 3.08Å; T42-I193 WeakPolarHBondContact CG2-O 3.26Å; T42-I193 PolarHBondContact OG1-O 3.27Å | ||
| 43 | A | 80.1 | Confident | 79.1 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 69% | 0.694 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56 | -30.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R41 A47 | R41-A43 PolarHBondContact O-N 2.93Å; A43-A47 WeakPolarHBondContact O-CB 3.47Å; A43-A47 PolarHBondContact O-N 2.7Å |
| 44 | E | 82.8 | Confident | 80.4 | Confident | 101 Ų | 101 | 51.9 Ų | 51.9 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -51.6 | 172.2 | -172.4 | 169.7 | -159 | 0 | 0 | 112 | T42 A47 W48 F271 K272 | T42-E44 PolarHBondContact O-N 3.43Å; T42-E44 VanDerWaalsContact O-N 3.13Å; E44-A47 PolarHBondContact O-N 2.93Å; E44-W48 VanDerWaalsContact O-CB 3.28Å; E44-W48 WeakPolarHBondContact O-CB 3.2Å; E44-W48 PolarHBondContact O-N 3.48Å; E44-F271 HydrophobicContact CG-CD2 4.28Å; E44-K272 WeakPolarHBondContact OE1-CE 3.34Å; E44-K272 IonicContact OE1-NZ 3.86Å |
| 45 | Y | 89.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 176.7 | 169.3 | -118.4 | 0 | 0 | 0 | 112.2 | R41 T42 A47 W48 L49 D71 M74 L137 Y194 F271 | R41-Y45 HydrophobicContact CB-CD1 4.33Å; R41-Y45 VanDerWaalsContact CD-CD1 3.48Å; R41-Y45 VanDerWaalsContact CD-CE1 3.43Å; R41-Y45 HydrophobicContact CG-CD1 4.36Å; R41-Y45 VanDerWaalsContact CZ-CE1 3.47Å; R41-Y45 VanDerWaalsContact NE-CD1 3.29Å; T42-Y45 PolarHBondContact O-N 2.93Å; T42-Y45 VanDerWaalsContact OG1-CB 3.22Å; T42-Y45 WeakPolarHBondContact OG1-CB 3.35Å; T42-Y45 PolarHBondContact OG1-N 3.12Å; Y45-A47 PolarHBondContact O-N 3.46Å; Y45-W48 HydrophobicContact CD2-CE3 4.19Å; Y45-W48 HydrophobicContact CE2-CE3 4.28Å; Y45-W48 HydrophobicContact CE2-CZ3 4.26Å; Y45-W48 PolarHBondContact O-N 3.25Å; Y45-L49 HydrophobicContact CE2-CB 4.03Å; Y45-L49 HydrophobicContact CE2-CD2 4.13Å; Y45-L49 PolarHBondContact O-N 3.27Å; Y45-L49 WeakPolarHBondContact OH-CD2 3.24Å; Y45-D71 VanDerWaalsContact CE1-OD1 3.29Å; Y45-D71 WeakPolarHBondContact CE1-OD1 3.28Å; Y45-D71 VanDerWaalsContact CZ-OD1 3.23Å; Y45-D71 PolarHBondContact OH-OD1 3.26Å; Y45-M74 HydrophobicContact CE1-CE 4.09Å; Y45-M74 HydrophobicContact CE1-SD 4.45Å; Y45-L137 HydrophobicContact CE2-CD1 3.86Å; Y45-L137 WeakPolarHBondContact OH-CD1 3.4Å; Y45-Y194 HydrophobicContact CD2-CD1 4.16Å; Y45-Y194 HydrophobicContact CD2-CE1 4.06Å; Y45-Y194 HydrophobicContact CE2-CD1 4.21Å; Y45-Y194 AromaticContact CE2-CE1 3.96Å; Y45-Y194 HydrophobicContact CE2-CE1 3.96Å; Y45-Y194 HydrophobicContact CG-CD1 4.28Å; Y45-F271 HydrophobicContact CD2-CD1 4.43Å; Y45-F271 AromaticContact CD2-CE1 3.44Å; Y45-F271 HydrophobicContact CD2-CE1 3.44Å; Y45-F271 VanDerWaalsContact CD2-CE1 3.44Å; Y45-F271 HydrophobicContact CD2-CE2 4.18Å; Y45-F271 AromaticContact CD2-CZ 3.29Å; Y45-F271 HydrophobicContact CD2-CZ 3.29Å; Y45-F271 HydrophobicContact CE2-CE1 4.11Å; Y45-F271 HydrophobicContact CE2-CZ 4.22Å; Y45-F271 HydrophobicContact CG-CE1 4.41Å; Y45-F271 HydrophobicContact CG-CE2 4.41Å; Y45-F271 AromaticContact CG-CZ 3.87Å; Y45-F271 HydrophobicContact CG-CZ 3.87Å |
| 46 | K | 90.8 | Very high | 83.3 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | -178.9 | 176.4 | 168.3 | -176.8 | 178 | 0 | 110.9 | T42 W48 L50 M74 E78 | T42-K46 PolarHBondContact O-N 2.94Å; T42-K46 VanDerWaalsContact O-N 3.08Å; K46-W48 VanDerWaalsContact C-N 3.33Å; K46-W48 PolarHBondContact O-N 2.96Å; K46-L50 HydrophobicContact CD-CD1 4.3Å; K46-L50 HydrophobicContact CG-CD1 3.61Å; K46-L50 HydrophobicContact CG-CG 4.33Å; K46-L50 WeakPolarHBondContact O-CB 3.44Å; K46-L50 WeakPolarHBondContact O-CG 3.47Å; K46-L50 PolarHBondContact O-N 2.9Å; K46-L50 VanDerWaalsContact O-N 3.12Å; K46-M74 HydrophobicContact CB-SD 3.81Å; K46-M74 HydrophobicContact CD-CG 4.19Å; K46-M74 HydrophobicContact CD-SD 3.95Å; K46-M74 HydrophobicContact CG-CG 4.35Å; K46-M74 HydrophobicContact CG-SD 3.6Å; K46-M74 VanDerWaalsContact CG-SD 3.6Å; K46-E78 WeakPolarHBondContact CE-OE1 3.41Å; K46-E78 IonicContact NZ-OE1 2.66Å; K46-E78 PolarHBondContact NZ-OE1 3.02Å |
| 47 | A | 93.1 | Very high | 84.9 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 56% | 0.562 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A43 E44 Y45 G51 | A43-A47 WeakPolarHBondContact O-CB 3.47Å; A43-A47 PolarHBondContact O-N 2.7Å; E44-A47 PolarHBondContact O-N 2.93Å; Y45-A47 PolarHBondContact O-N 3.46Å; A47-G51 PolarHBondContact O-N 3.34Å |
| 48 | W | 96 | Very high | 86.7 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 17% | 0.167 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -52.7 | 179.3 | 171.7 | 83.4 | 0 | 0 | 0 | 112.3 | E44 Y45 K46 G51 L52 V172 L268 F271 I286 V288 | E44-W48 VanDerWaalsContact O-CB 3.28Å; E44-W48 WeakPolarHBondContact O-CB 3.2Å; E44-W48 PolarHBondContact O-N 3.48Å; Y45-W48 HydrophobicContact CD2-CE3 4.19Å; Y45-W48 HydrophobicContact CE2-CE3 4.28Å; Y45-W48 HydrophobicContact CE2-CZ3 4.26Å; Y45-W48 PolarHBondContact O-N 3.25Å; K46-W48 VanDerWaalsContact C-N 3.33Å; K46-W48 PolarHBondContact O-N 2.96Å; W48-G51 PolarHBondContact O-N 3.3Å; W48-L52 HydrophobicContact CH2-CD2 4.1Å; W48-L52 HydrophobicContact CZ2-CD2 3.87Å; W48-L52 WeakPolarHBondContact O-CB 3.3Å; W48-L52 PolarHBondContact O-N 3.02Å; W48-V172 HydrophobicContact CH2-CG1 3.61Å; W48-V172 HydrophobicContact CZ3-CG1 4.25Å; W48-L268 HydrophobicContact CZ2-CD1 3.45Å; W48-L268 VanDerWaalsContact CZ2-CD1 3.45Å; W48-L268 VanDerWaalsContact NE1-CD1 3.32Å; W48-F271 HydrophobicContact CB-CB 4.41Å; W48-F271 HydrophobicContact CB-CD1 4.43Å; W48-F271 HydrophobicContact CB-CG 4.49Å; W48-F271 HydrophobicContact CD2-CB 4.43Å; W48-F271 AromaticContact CD2-CD1 3.52Å; W48-F271 HydrophobicContact CD2-CD1 3.52Å; W48-F271 HydrophobicContact CD2-CE1 4.22Å; W48-F271 HydrophobicContact CD2-CG 4.31Å; W48-F271 AromaticContact CE3-CD1 3.43Å; W48-F271 HydrophobicContact CE3-CD1 3.43Å; W48-F271 VanDerWaalsContact CE3-CD1 3.43Å; W48-F271 AromaticContact CE3-CE1 3.64Å; W48-F271 HydrophobicContact CE3-CE1 3.64Å; W48-F271 HydrophobicContact CE3-CG 4.5Å; W48-F271 HydrophobicContact CG-CB 4.08Å; W48-F271 AromaticContact CG-CD1 3.95Å; W48-F271 HydrophobicContact CG-CD1 3.95Å; W48-F271 HydrophobicContact CG-CG 4.28Å; W48-F271 HydrophobicContact CH2-CD1 4.43Å; W48-F271 AromaticContact CZ3-CD1 3.92Å; W48-F271 HydrophobicContact CZ3-CD1 3.92Å; W48-F271 AromaticContact CZ3-CE1 3.87Å; W48-F271 HydrophobicContact CZ3-CE1 3.87Å; W48-I286 HydrophobicContact CH2-CG2 3.61Å; W48-I286 HydrophobicContact CZ2-CG2 4.06Å; W48-I286 HydrophobicContact CZ3-CG2 4.47Å; W48-V288 HydrophobicContact CH2-CG2 4.41Å; W48-V288 HydrophobicContact CZ2-CG2 3.98Å |
| 49 | L | 97.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.3 | -46.2 | -175.4 | -179.8 | 59.8 | 0 | 0 | 0 | 111 | Y45 G51 L52 L53 M74 L75 L137 | Y45-L49 HydrophobicContact CE2-CB 4.03Å; Y45-L49 HydrophobicContact CE2-CD2 4.13Å; Y45-L49 PolarHBondContact O-N 3.27Å; Y45-L49 WeakPolarHBondContact OH-CD2 3.24Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.4Å; L49-L52 PolarHBondContact O-N 3.1Å; L49-L53 HydrophobicContact CD1-CD1 3.99Å; L49-L53 HydrophobicContact CD1-CG 4Å; L49-L53 HydrophobicContact CG-CD1 3.94Å; L49-L53 HydrophobicContact CG-CG 4.36Å; L49-L53 WeakPolarHBondContact O-CB 3.27Å; L49-L53 VanDerWaalsContact O-CG 3.27Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 3.49Å; L49-M74 HydrophobicContact CD2-CE 3.9Å; L49-L75 HydrophobicContact CD2-CD2 4.33Å; L49-L137 HydrophobicContact CD2-CD1 4.27Å |
| 50 | L | 97.5 | Very high | 90.6 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 178.2 | -62.9 | 175.9 | 0 | 0 | 0 | 111.7 | K46 R54 L75 E78 F80 | K46-L50 HydrophobicContact CD-CD1 4.3Å; K46-L50 HydrophobicContact CG-CD1 3.61Å; K46-L50 HydrophobicContact CG-CG 4.33Å; K46-L50 WeakPolarHBondContact O-CB 3.44Å; K46-L50 WeakPolarHBondContact O-CG 3.47Å; K46-L50 PolarHBondContact O-N 2.9Å; K46-L50 VanDerWaalsContact O-N 3.12Å; L50-R54 VanDerWaalsContact O-CB 3.24Å; L50-R54 WeakPolarHBondContact O-CB 3.29Å; L50-R54 WeakPolarHBondContact O-CG 3.37Å; L50-R54 PolarHBondContact O-N 2.77Å; L50-L75 HydrophobicContact CD2-CD2 3.91Å; L50-E78 HydrophobicContact CD1-CG 3.7Å; L50-E78 HydrophobicContact CD2-CB 3.8Å; L50-E78 HydrophobicContact CD2-CG 3.74Å; L50-E78 HydrophobicContact CG-CG 4.4Å; L50-F80 HydrophobicContact CD2-CD2 4.5Å; L50-F80 HydrophobicContact CD2-CE2 3.67Å; L50-F80 HydrophobicContact CD2-CZ 4.39Å |
| 51 | G | 97.9 | Very high | 92.7 | Very high | 37 Ų | 37 | 56.9 Ų | 56.9 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A47 W48 L49 R54 Q55 | A47-G51 PolarHBondContact O-N 3.34Å; W48-G51 PolarHBondContact O-N 3.3Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.4Å; G51-R54 PolarHBondContact O-N 3.02Å; G51-Q55 WeakPolarHBondContact O-CB 3.42Å; G51-Q55 PolarHBondContact O-N 3.39Å |
| 52 | L | 98.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 178.2 | 177.3 | 65.4 | 0 | 0 | 0 | 111.9 | W48 L49 Q55 H56 L170 V172 V288 | W48-L52 HydrophobicContact CH2-CD2 4.1Å; W48-L52 HydrophobicContact CZ2-CD2 3.87Å; W48-L52 WeakPolarHBondContact O-CB 3.3Å; W48-L52 PolarHBondContact O-N 3.02Å; L49-L52 PolarHBondContact O-N 3.1Å; L52-Q55 PolarHBondContact O-N 3.4Å; L52-H56 PolarHBondContact O-N 2.77Å; L52-H56 PolarHBondContact O-ND1 3.03Å; L52-L170 HydrophobicContact CD1-CD1 4.38Å; L52-L170 HydrophobicContact CG-CD1 4.18Å; L52-V172 HydrophobicContact CD2-CG2 3.87Å; L52-V288 HydrophobicContact CD1-CG1 4.32Å; L52-V288 HydrophobicContact CD2-CG1 4.05Å; L52-V288 HydrophobicContact CD2-CG2 4.03Å |
| 53 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | -178.7 | -67.6 | 177.2 | 0 | 0 | 0 | 111.6 | L49 H56 G57 C58 V61 L75 F80 A133 | L49-L53 HydrophobicContact CD1-CD1 3.99Å; L49-L53 HydrophobicContact CD1-CG 4Å; L49-L53 HydrophobicContact CG-CD1 3.94Å; L49-L53 HydrophobicContact CG-CG 4.36Å; L49-L53 WeakPolarHBondContact O-CB 3.27Å; L49-L53 VanDerWaalsContact O-CG 3.27Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 3.49Å; L53-H56 PolarHBondContact O-N 2.87Å; L53-G57 PolarHBondContact O-N 2.81Å; L53-G57 VanDerWaalsContact O-N 3.17Å; L53-C58 HydrophobicContact CB-CB 4.17Å; L53-C58 HydrophobicContact CD2-CB 4.02Å; L53-C58 WeakPolarHBondContact O-CB 3.37Å; L53-C58 PolarHBondContact O-N 3.42Å; L53-V61 HydrophobicContact CD1-CG2 4.44Å; L53-L75 HydrophobicContact CD1-CD2 3.61Å; L53-F80 HydrophobicContact CB-CE1 3.76Å; L53-F80 HydrophobicContact CB-CZ 3.76Å; L53-F80 HydrophobicContact CD1-CE1 4.03Å; L53-F80 HydrophobicContact CD1-CZ 4.03Å; L53-F80 HydrophobicContact CG-CE1 4.5Å; L53-A133 HydrophobicContact CD2-CB 3.4Å; L53-A133 VanDerWaalsContact CD2-CB 3.4Å |
| 54 | R | 98.5 | Very high | 96.4 | Very high | 135 Ų | 135 | 50.3 Ų | 50.3 | 51% | 0.509 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.1 | -40.3 | 178.1 | -72.8 | 171.8 | 176.5 | 155.3 | 3.7 | 112.1 | L50 G51 H56 G57 E78 F80 | L50-R54 VanDerWaalsContact O-CB 3.24Å; L50-R54 WeakPolarHBondContact O-CB 3.29Å; L50-R54 WeakPolarHBondContact O-CG 3.37Å; L50-R54 PolarHBondContact O-N 2.77Å; G51-R54 PolarHBondContact O-N 3.02Å; R54-H56 PolarHBondContact O-N 2.85Å; R54-G57 PolarHBondContact O-N 3.41Å; R54-E78 IonicContact CZ-OE2 3.69Å; R54-E78 IonicContact NH1-OE2 3.86Å; R54-E78 IonicContact NH2-OE2 2.7Å; R54-E78 PolarHBondContact NH2-OE2 2.85Å; R54-F80 HydrophobicContact CG-CZ 4.33Å |
| 55 | Q | 98.2 | Very high | 97.2 | Very high | 154 Ų | 154 | 46 Ų | 46 | 72% | 0.72 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.1 | -33.9 | 176.3 | 179.6 | -177.7 | -6.3 | 0 | 0 | 112.1 | G51 L52 | G51-Q55 WeakPolarHBondContact O-CB 3.42Å; G51-Q55 PolarHBondContact O-N 3.39Å; L52-Q55 PolarHBondContact O-N 3.4Å |
| 56 | H | 98.1 | Very high | 97.5 | Very high | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 4.3 | 178.8 | -68.3 | 80.8 | 0 | 0 | 0 | 113.6 | L52 L53 R54 C58 L170 | L52-H56 PolarHBondContact O-N 2.77Å; L52-H56 PolarHBondContact O-ND1 3.03Å; L53-H56 PolarHBondContact O-N 2.87Å; R54-H56 PolarHBondContact O-N 2.85Å; H56-C58 PolarHBondContact O-N 3.37Å; H56-L170 HydrophobicContact CB-CD1 3.87Å; H56-L170 HydrophobicContact CB-CG 4.48Å |
| 57 | G | 98.1 | Very high | 97.7 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 50% | 0.495 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 24.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | L53 R54 | L53-G57 PolarHBondContact O-N 2.81Å; L53-G57 VanDerWaalsContact O-N 3.17Å; R54-G57 PolarHBondContact O-N 3.41Å |
| 58 | C | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | trans | -65 | 138.6 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | L53 H56 F80 D132 A133 | L53-C58 HydrophobicContact CB-CB 4.17Å; L53-C58 HydrophobicContact CD2-CB 4.02Å; L53-C58 WeakPolarHBondContact O-CB 3.37Å; L53-C58 PolarHBondContact O-N 3.42Å; H56-C58 PolarHBondContact O-N 3.37Å; C58-F80 VanDerWaalsContact O-CE1 3.24Å; C58-F80 WeakPolarHBondContact O-CE1 3.22Å; C58-D132 HydrophobicContact CB-CB 3.75Å; C58-A133 HydrophobicContact CB-CB 4.32Å | ||
| 59 | R | 97.9 | Very high | 97.6 | Very high | 192 Ų | 192 | 37.9 Ų | 37.9 | 73% | 0.725 | 19% | 0.187 | S | C | * | . | trans | -128.2 | -47.3 | 176.3 | -66.3 | -177.2 | 176.7 | 177.6 | -0.9 | 112.2 | S81 D132 | R59-S81 PolarHBondContact O-N 2.58Å; R59-D132 WeakPolarHBondContact CA-OD2 3.17Å; R59-D132 PolarHBondContact N-OD2 2.77Å | ||
| 60 | R | 98.6 | Very high | 97.3 | Very high | 98 Ų | 98 | 38.5 Ų | 38.5 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 115.2 | 176.5 | -70.4 | 178.7 | 62.9 | -140.3 | -7 | 109.8 | S81 G130 F131 D132 A133 | R60-S81 WeakPolarHBondContact CA-O 3.17Å; R60-G130 PolarHBondContact NH1-O 3.07Å; R60-F131 HydrophobicContact CB-CD1 4.23Å; R60-D132 PolarHBondContact N-OD2 2.85Å; R60-D132 WeakPolarHBondContact O-CB 3.4Å; R60-D132 PolarHBondContact O-N 3.49Å; R60-A133 PolarHBondContact O-N 2.63Å |
| 61 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.9 | -178.3 | -173 | 0 | 0 | 0 | 0 | 109.8 | L53 L75 F80 S81 V82 T83 A133 I135 | L53-V61 HydrophobicContact CD1-CG2 4.44Å; V61-L75 HydrophobicContact CB-CD1 4.39Å; V61-L75 HydrophobicContact CG1-CD1 3.89Å; V61-F80 HydrophobicContact CG2-CB 4.36Å; V61-F80 HydrophobicContact CG2-CD1 3.78Å; V61-F80 HydrophobicContact CG2-CE1 4.49Å; V61-F80 HydrophobicContact CG2-CG 4.33Å; V61-S81 PolarHBondContact N-O 2.71Å; V61-V82 WeakPolarHBondContact O-CA 3.45Å; V61-T83 PolarHBondContact O-N 3.33Å; V61-A133 CarbonylContact C-O 3.54Å; V61-A133 VanDerWaalsContact CA-O 3.29Å; V61-A133 WeakPolarHBondContact CA-O 3.46Å; V61-A133 HydrophobicContact CG1-CB 4.31Å; V61-A133 HydrophobicContact CG2-CB 4.33Å; V61-I135 HydrophobicContact CG1-CG1 4.43Å; V61-I135 HydrophobicContact CG1-CG2 4.18Å |
| 62 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.2 | 168.5 | 179.1 | 65.3 | 0 | 0 | 0 | 109.4 | V64 T83 V85 V125 F131 A133 V134 I135 M164 | L62-V64 HydrophobicContact CD2-CG1 3.61Å; L62-V64 HydrophobicContact CG-CG1 3.71Å; L62-T83 CarbonylContact C-O 3.17Å; L62-T83 WeakPolarHBondContact CA-O 3.35Å; L62-T83 HydrophobicContact CD1-CG2 3.94Å; L62-V85 HydrophobicContact CD1-CG2 4.34Å; L62-V125 HydrophobicContact CD1-CG1 4.33Å; L62-V125 HydrophobicContact CD2-CG1 4.47Å; L62-F131 HydrophobicContact CB-CB 4.21Å; L62-F131 HydrophobicContact CB-CD1 3.69Å; L62-F131 HydrophobicContact CB-CD2 3.78Å; L62-F131 HydrophobicContact CB-CE1 3.91Å; L62-F131 HydrophobicContact CB-CE2 4Å; L62-F131 HydrophobicContact CB-CG 3.62Å; L62-F131 HydrophobicContact CB-CZ 4.06Å; L62-F131 HydrophobicContact CD1-CE1 4.48Å; L62-F131 HydrophobicContact CD1-CE2 4.35Å; L62-F131 HydrophobicContact CD1-CZ 4.1Å; L62-F131 HydrophobicContact CD2-CD2 4.01Å; L62-F131 HydrophobicContact CD2-CE2 3.9Å; L62-F131 HydrophobicContact CD2-CZ 4.47Å; L62-F131 HydrophobicContact CG-CD2 4.44Å; L62-F131 HydrophobicContact CG-CE2 4.31Å; L62-F131 HydrophobicContact CG-CZ 4.43Å; L62-A133 PolarHBondContact N-O 3.08Å; L62-V134 HydrophobicContact CB-CG1 4.41Å; L62-V134 HydrophobicContact CB-CG2 4.25Å; L62-V134 HydrophobicContact CD2-CG1 4.31Å; L62-V134 HydrophobicContact CD2-CG2 4.49Å; L62-V134 HydrophobicContact CG-CG1 4.48Å; L62-V134 CarbonylContact O-C 3.36Å; L62-V134 VanDerWaalsContact O-CA 3.28Å; L62-V134 WeakPolarHBondContact O-CA 3.47Å; L62-I135 PolarHBondContact O-N 2.8Å; L62-M164 HydrophobicContact CD2-CB 3.68Å; L62-M164 HydrophobicContact CD2-CG 3.67Å; L62-M164 HydrophobicContact CD2-SD 4.23Å |
| 63 | D | 98.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 107.2 | 168.7 | -176 | -3.9 | 0 | 0 | 0 | 108.7 | A65 C66 S72 T83 S84 V85 I135 | D63-A65 VanDerWaalsContact C-N 3.31Å; D63-A65 VanDerWaalsContact OD1-C 3.25Å; D63-A65 PolarHBondContact OD1-N 3.36Å; D63-C66 PolarHBondContact OD1-N 2.99Å; D63-S72 VanDerWaalsContact CB-OG 3.24Å; D63-S72 WeakPolarHBondContact CB-OG 3.47Å; D63-S72 PolarHBondContact OD2-OG 3.32Å; D63-T83 PolarHBondContact N-O 3.15Å; D63-S84 CarbonylContact O-C 3.47Å; D63-S84 WeakPolarHBondContact O-CA 3.41Å; D63-V85 PolarHBondContact O-N 3.4Å; D63-I135 HydrophobicContact CB-CD1 4.1Å; D63-I135 HydrophobicContact CB-CG1 3.86Å |
| 64 | V | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -88.6 | 0.6 | -179.1 | -59.7 | 0 | 0 | 0 | 0 | 113 | L62 V85 W118 L121 V134 I135 C136 I161 | L62-V64 HydrophobicContact CD2-CG1 3.61Å; L62-V64 HydrophobicContact CG-CG1 3.71Å; V64-V85 CarbonylContact C-O 3.55Å; V64-V85 VanDerWaalsContact C-O 3.3Å; V64-V85 HydrophobicContact CB-CG2 4.36Å; V64-V85 HydrophobicContact CG1-CG2 4.35Å; V64-W118 PolarHBondContact O-NE1 2.96Å; V64-L121 HydrophobicContact CG1-CD2 3.95Å; V64-V134 HydrophobicContact CG1-CG1 3.79Å; V64-V134 HydrophobicContact CG2-CG1 4.36Å; V64-I135 WeakPolarHBondContact CG2-O 3.38Å; V64-I135 PolarHBondContact N-O 3.29Å; V64-C136 HydrophobicContact CG2-CB 3.62Å; V64-I161 HydrophobicContact CG2-CD1 4.31Å; V64-I161 HydrophobicContact CG2-CG1 4.29Å; V64-I161 HydrophobicContact CG2-CG2 4.44Å |
| 65 | A | 97.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | trans | -133.4 | 52.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | D63 G67 W118 | D63-A65 VanDerWaalsContact C-N 3.31Å; D63-A65 VanDerWaalsContact OD1-C 3.25Å; D63-A65 PolarHBondContact OD1-N 3.36Å; A65-G67 PolarHBondContact O-N 2.89Å; A65-G67 VanDerWaalsContact O-N 3.14Å; A65-W118 HydrophobicContact CB-CZ2 4.29Å | ||
| 66 | C | 97.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | trans | -52.8 | -40.5 | -170.7 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | D63 T68 G69 S84 V85 D86 L92 | D63-C66 PolarHBondContact OD1-N 2.99Å; C66-T68 PolarHBondContact O-N 2.82Å; C66-G69 VanDerWaalsContact O-CA 3.29Å; C66-G69 WeakPolarHBondContact O-CA 3.33Å; C66-G69 PolarHBondContact O-N 3.45Å; C66-S84 WeakPolarHBondContact SG-CB 3.4Å; C66-V85 VanDerWaalsContact CB-O 3.27Å; C66-V85 WeakPolarHBondContact CB-O 3.44Å; C66-V85 PolarHBondContact N-O 2.86Å; C66-D86 HydrophobicContact CB-CB 4.16Å; C66-L92 HydrophobicContact CB-CD2 3.99Å | ||
| 67 | G | 94 | Very high | 96.9 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 6% | 0.062 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | -127 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A65 G69 D86 M91 | A65-G67 PolarHBondContact O-N 2.89Å; A65-G67 VanDerWaalsContact O-N 3.14Å; G67-G69 PolarHBondContact O-N 3.06Å; G67-D86 WeakPolarHBondContact CA-OD2 3.49Å; G67-D86 PolarHBondContact N-OD2 3.21Å; G67-M91 CarbonylContact O-C 3.54Å |
| 68 | T | 92.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 9.4 | 173.5 | 81.1 | 0 | 0 | 0 | 0 | 113.8 | W31 C66 M91 Y94 A95 | W31-T68 HydrophobicContact CD2-CG2 4.29Å; W31-T68 HydrophobicContact CE3-CG2 3.35Å; W31-T68 HydrophobicContact CZ3-CG2 3.52Å; W31-T68 WeakPolarHBondContact CZ3-OG1 3.29Å; C66-T68 PolarHBondContact O-N 2.82Å; T68-M91 HydrophobicContact CG2-CE 4Å; T68-M91 HydrophobicContact CG2-SD 4.18Å; T68-Y94 HydrophobicContact CG2-CD2 4.02Å; T68-Y94 HydrophobicContact CG2-CG 4.09Å; T68-A95 WeakPolarHBondContact O-CA 3.46Å; T68-A95 PolarHBondContact O-N 3.25Å |
| 69 | G | 94.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 87.9 | 10.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | C66 G67 D71 S72 I73 | C66-G69 VanDerWaalsContact O-CA 3.29Å; C66-G69 WeakPolarHBondContact O-CA 3.33Å; C66-G69 PolarHBondContact O-N 3.45Å; G67-G69 PolarHBondContact O-N 3.06Å; G69-D71 VanDerWaalsContact C-N 3.32Å; G69-D71 PolarHBondContact O-N 3.5Å; G69-S72 PolarHBondContact O-N 2.86Å; G69-I73 WeakPolarHBondContact O-CB 3.48Å; G69-I73 VanDerWaalsContact O-CD1 3.32Å; G69-I73 WeakPolarHBondContact O-CD1 3.26Å; G69-I73 WeakPolarHBondContact O-CG1 3.38Å; G69-I73 PolarHBondContact O-N 3.31Å |
| 70 | V | 91.8 | Very high | 96.9 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 7% | 0.073 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -35 | -171.9 | -72.4 | 0 | 0 | 0 | 0 | 114.7 | W31 I35 T38 R41 Y195 | W31-V70 HydrophobicContact CH2-CG1 4.33Å; W31-V70 HydrophobicContact CH2-CG2 3.71Å; W31-V70 HydrophobicContact CZ3-CG1 4.13Å; W31-V70 HydrophobicContact CZ3-CG2 4.33Å; I35-V70 HydrophobicContact CD1-CG1 4.19Å; T38-V70 HydrophobicContact CG2-CG1 3.72Å; R41-V70 PolarHBondContact NH1-O 3.29Å; V70-Y195 HydrophobicContact CG2-CE1 4.31Å |
| 71 | D | 94.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -76.4 | -48.8 | 175.6 | -77.1 | -61.7 | 0 | 0 | 0 | 110.8 | R41 Y45 G69 I73 M74 L75 I135 | R41-D71 IonicContact CZ-OD1 3.18Å; R41-D71 IonicContact CZ-OD2 2.71Å; R41-D71 IonicContact NE-OD1 2.92Å; R41-D71 VanDerWaalsContact NH1-CA 3.25Å; R41-D71 IonicContact NH1-OD1 3.48Å; R41-D71 PolarHBondContact NH1-OD1 2.82Å; R41-D71 IonicContact NH1-OD2 3.66Å; R41-D71 PolarHBondContact NH1-OD2 2.96Å; R41-D71 IonicContact NH2-OD1 2.68Å; R41-D71 PolarHBondContact NH2-OD1 2.95Å; R41-D71 IonicContact NH2-OD2 2.84Å; R41-D71 PolarHBondContact NH2-OD2 3.46Å; Y45-D71 VanDerWaalsContact CE1-OD1 3.29Å; Y45-D71 WeakPolarHBondContact CE1-OD1 3.28Å; Y45-D71 VanDerWaalsContact CZ-OD1 3.23Å; Y45-D71 PolarHBondContact OH-OD1 3.26Å; G69-D71 VanDerWaalsContact C-N 3.32Å; G69-D71 PolarHBondContact O-N 3.5Å; D71-I73 PolarHBondContact O-N 2.94Å; D71-M74 WeakPolarHBondContact O-CB 3.38Å; D71-M74 PolarHBondContact O-N 3.26Å; D71-L75 WeakPolarHBondContact O-CG 3.28Å; D71-L75 PolarHBondContact O-N 3.08Å; D71-I135 HydrophobicContact CB-CD1 4.04Å |
| 72 | S | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.3 | -44.4 | 179.5 | -71.9 | 0 | 0 | 0 | 0 | 112.8 | D63 G69 M74 L75 V76 S84 | D63-S72 VanDerWaalsContact CB-OG 3.24Å; D63-S72 WeakPolarHBondContact CB-OG 3.47Å; D63-S72 PolarHBondContact OD2-OG 3.32Å; G69-S72 PolarHBondContact O-N 2.86Å; S72-M74 PolarHBondContact O-N 3.01Å; S72-L75 PolarHBondContact O-N 2.92Å; S72-V76 VanDerWaalsContact O-CG2 3.26Å; S72-V76 WeakPolarHBondContact O-CG2 3.4Å; S72-V76 PolarHBondContact O-N 3.27Å; S72-S84 WeakPolarHBondContact CB-OG 3.33Å; S72-S84 WeakPolarHBondContact OG-CB 3.4Å; S72-S84 PolarHBondContact OG-OG 2.92Å |
| 73 | I | 96.3 | Very high | 96.9 | Very high | 28 Ų | 28 | 20.7 Ų | 20.7 | 14% | 0.144 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.9 | -49 | 175.8 | -70.7 | 158.9 | 0 | 0 | 0 | 110.3 | G69 D71 L75 V76 E77 E98 F108 W111 | G69-I73 WeakPolarHBondContact O-CB 3.48Å; G69-I73 VanDerWaalsContact O-CD1 3.32Å; G69-I73 WeakPolarHBondContact O-CD1 3.26Å; G69-I73 WeakPolarHBondContact O-CG1 3.38Å; G69-I73 PolarHBondContact O-N 3.31Å; D71-I73 PolarHBondContact O-N 2.94Å; I73-L75 VanDerWaalsContact C-N 3.29Å; I73-L75 PolarHBondContact O-N 2.87Å; I73-V76 PolarHBondContact O-N 3.23Å; I73-E77 HydrophobicContact CG2-CG 4.47Å; I73-E77 VanDerWaalsContact O-CG 3.32Å; I73-E77 WeakPolarHBondContact O-CG 3.43Å; I73-E77 PolarHBondContact O-N 2.96Å; I73-E98 HydrophobicContact CD1-CB 4.18Å; I73-E98 HydrophobicContact CD1-CG 3.7Å; I73-E98 HydrophobicContact CG1-CG 4.26Å; I73-F108 HydrophobicContact CG1-CE1 4.31Å; I73-F108 HydrophobicContact CG2-CE1 4.23Å; I73-F108 HydrophobicContact CG2-CZ 4.06Å; I73-W111 HydrophobicContact CD1-CH2 4.31Å; I73-W111 HydrophobicContact CG1-CH2 3.66Å; I73-W111 HydrophobicContact CG1-CZ3 3.78Å |
| 74 | M | 95.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 178.2 | 179.4 | -169.1 | 72.1 | 0 | 0 | 111.2 | Y45 K46 L49 D71 S72 E78 | Y45-M74 HydrophobicContact CE1-CE 4.09Å; Y45-M74 HydrophobicContact CE1-SD 4.45Å; K46-M74 HydrophobicContact CB-SD 3.81Å; K46-M74 HydrophobicContact CD-CG 4.19Å; K46-M74 HydrophobicContact CD-SD 3.95Å; K46-M74 HydrophobicContact CG-CG 4.35Å; K46-M74 HydrophobicContact CG-SD 3.6Å; K46-M74 VanDerWaalsContact CG-SD 3.6Å; L49-M74 HydrophobicContact CD2-CE 3.9Å; D71-M74 WeakPolarHBondContact O-CB 3.38Å; D71-M74 PolarHBondContact O-N 3.26Å; S72-M74 PolarHBondContact O-N 3.01Å; M74-E78 WeakPolarHBondContact O-CB 3.29Å; M74-E78 WeakPolarHBondContact O-CG 3.2Å; M74-E78 PolarHBondContact O-N 3.13Å; M74-E78 VanDerWaalsContact O-N 3.14Å |
| 75 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.1 | -38.6 | 178.8 | -67 | 177.5 | 0 | 0 | 0 | 112.4 | L49 L50 L53 V61 D71 S72 I73 E78 G79 F80 V82 I135 | L49-L75 HydrophobicContact CD2-CD2 4.33Å; L50-L75 HydrophobicContact CD2-CD2 3.91Å; L53-L75 HydrophobicContact CD1-CD2 3.61Å; V61-L75 HydrophobicContact CB-CD1 4.39Å; V61-L75 HydrophobicContact CG1-CD1 3.89Å; D71-L75 WeakPolarHBondContact O-CG 3.28Å; D71-L75 PolarHBondContact O-N 3.08Å; S72-L75 PolarHBondContact O-N 2.92Å; I73-L75 VanDerWaalsContact C-N 3.29Å; I73-L75 PolarHBondContact O-N 2.87Å; L75-E78 CarbonylContact O-C 3.49Å; L75-E78 PolarHBondContact O-N 3.24Å; L75-G79 PolarHBondContact O-N 3.24Å; L75-F80 HydrophobicContact CB-CB 4.21Å; L75-F80 HydrophobicContact CB-CD2 4.26Å; L75-F80 HydrophobicContact CB-CG 4.46Å; L75-F80 HydrophobicContact CD2-CD2 3.95Å; L75-F80 HydrophobicContact CD2-CE2 4.11Å; L75-F80 HydrophobicContact CD2-CG 4.44Å; L75-F80 WeakPolarHBondContact O-CB 3.34Å; L75-F80 WeakPolarHBondContact O-CD2 3.37Å; L75-F80 PolarHBondContact O-N 2.84Å; L75-V82 HydrophobicContact CB-CG2 3.59Å; L75-I135 HydrophobicContact CD1-CD1 3.81Å |
| 76 | V | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | S72 I73 E78 G79 V82 A107 F108 W111 | S72-V76 VanDerWaalsContact O-CG2 3.26Å; S72-V76 WeakPolarHBondContact O-CG2 3.4Å; S72-V76 PolarHBondContact O-N 3.27Å; I73-V76 PolarHBondContact O-N 3.23Å; V76-E78 PolarHBondContact O-N 3.19Å; V76-G79 PolarHBondContact O-N 3.14Å; V76-G79 VanDerWaalsContact O-N 3.12Å; V76-V82 HydrophobicContact CG2-CB 3.84Å; V76-V82 HydrophobicContact CG2-CG2 3.77Å; V76-A107 HydrophobicContact CG1-CB 3.85Å; V76-F108 HydrophobicContact CB-CZ 4.44Å; V76-F108 HydrophobicContact CG1-CD1 4.24Å; V76-F108 HydrophobicContact CG1-CD2 3.85Å; V76-F108 HydrophobicContact CG1-CE1 4.22Å; V76-F108 HydrophobicContact CG1-CE2 3.79Å; V76-F108 HydrophobicContact CG1-CG 4.05Å; V76-F108 HydrophobicContact CG1-CZ 3.97Å; V76-W111 HydrophobicContact CG2-CB 3.94Å; V76-W111 HydrophobicContact CG2-CD2 4.06Å; V76-W111 HydrophobicContact CG2-CG 3.69Å |
| 77 | E | 97 | Very high | 96.7 | Very high | 100 Ų | 100 | 22.6 Ų | 22.6 | 47% | 0.467 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.9 | -33.1 | 176.1 | -72.1 | 178.9 | 155.1 | 0 | 0 | 112.8 | I73 G79 R102 F108 | I73-E77 HydrophobicContact CG2-CG 4.47Å; I73-E77 VanDerWaalsContact O-CG 3.32Å; I73-E77 WeakPolarHBondContact O-CG 3.43Å; I73-E77 PolarHBondContact O-N 2.96Å; E77-G79 PolarHBondContact O-N 3.45Å; E77-R102 IonicContact OE1-CZ 2.77Å; E77-R102 IonicContact OE1-NH1 3.54Å; E77-R102 PolarHBondContact OE1-NH1 3.01Å; E77-R102 IonicContact OE1-NH2 3.41Å; E77-R102 PolarHBondContact OE1-NH2 3.36Å; E77-F108 HydrophobicContact CG-CE2 4.01Å; E77-F108 HydrophobicContact CG-CZ 3.89Å |
| 78 | E | 97.5 | Very high | 96.5 | Very high | 59 Ų | 59 | 22.4 Ų | 22.4 | 28% | 0.276 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.9 | -179.9 | -64.4 | -75.7 | 158.6 | 0 | 0 | 113 | K46 L50 R54 M74 L75 V76 F80 | K46-E78 WeakPolarHBondContact CE-OE1 3.41Å; K46-E78 IonicContact NZ-OE1 2.66Å; K46-E78 PolarHBondContact NZ-OE1 3.02Å; L50-E78 HydrophobicContact CD1-CG 3.7Å; L50-E78 HydrophobicContact CD2-CB 3.8Å; L50-E78 HydrophobicContact CD2-CG 3.74Å; L50-E78 HydrophobicContact CG-CG 4.4Å; R54-E78 IonicContact CZ-OE2 3.69Å; R54-E78 IonicContact NH1-OE2 3.86Å; R54-E78 IonicContact NH2-OE2 2.7Å; R54-E78 PolarHBondContact NH2-OE2 2.85Å; M74-E78 WeakPolarHBondContact O-CB 3.29Å; M74-E78 WeakPolarHBondContact O-CG 3.2Å; M74-E78 PolarHBondContact O-N 3.13Å; M74-E78 VanDerWaalsContact O-N 3.14Å; L75-E78 CarbonylContact O-C 3.49Å; L75-E78 PolarHBondContact O-N 3.24Å; V76-E78 PolarHBondContact O-N 3.19Å; E78-F80 HydrophobicContact CB-CD2 4.04Å; E78-F80 HydrophobicContact CB-CE2 4.05Å |
| 79 | G | 98.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 25.8 Ų | 25.8 | 68% | 0.68 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 12.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L75 V76 E77 | L75-G79 PolarHBondContact O-N 3.24Å; V76-G79 PolarHBondContact O-N 3.14Å; V76-G79 VanDerWaalsContact O-N 3.12Å; E77-G79 PolarHBondContact O-N 3.45Å |
| 80 | F | 98.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | trans | -75.9 | 151.3 | 173.8 | -66.5 | -93.8 | 0 | 0 | 0 | 111.3 | L50 L53 R54 C58 V61 L75 E78 V82 | L50-F80 HydrophobicContact CD2-CD2 4.5Å; L50-F80 HydrophobicContact CD2-CE2 3.67Å; L50-F80 HydrophobicContact CD2-CZ 4.39Å; L53-F80 HydrophobicContact CB-CE1 3.76Å; L53-F80 HydrophobicContact CB-CZ 3.76Å; L53-F80 HydrophobicContact CD1-CE1 4.03Å; L53-F80 HydrophobicContact CD1-CZ 4.03Å; L53-F80 HydrophobicContact CG-CE1 4.5Å; R54-F80 HydrophobicContact CG-CZ 4.33Å; C58-F80 VanDerWaalsContact O-CE1 3.24Å; C58-F80 WeakPolarHBondContact O-CE1 3.22Å; V61-F80 HydrophobicContact CG2-CB 4.36Å; V61-F80 HydrophobicContact CG2-CD1 3.78Å; V61-F80 HydrophobicContact CG2-CE1 4.49Å; V61-F80 HydrophobicContact CG2-CG 4.33Å; L75-F80 HydrophobicContact CB-CB 4.21Å; L75-F80 HydrophobicContact CB-CD2 4.26Å; L75-F80 HydrophobicContact CB-CG 4.46Å; L75-F80 HydrophobicContact CD2-CD2 3.95Å; L75-F80 HydrophobicContact CD2-CE2 4.11Å; L75-F80 HydrophobicContact CD2-CG 4.44Å; L75-F80 WeakPolarHBondContact O-CB 3.34Å; L75-F80 WeakPolarHBondContact O-CD2 3.37Å; L75-F80 PolarHBondContact O-N 2.84Å; E78-F80 HydrophobicContact CB-CD2 4.04Å; E78-F80 HydrophobicContact CB-CE2 4.05Å; F80-V82 HydrophobicContact CB-CG2 3.89Å; F80-V82 PolarHBondContact O-N 3.42Å | ||
| 81 | S | 98.6 | Very high | 95.8 | Very high | 68 Ų | 68 | 28.9 Ų | 28.9 | 48% | 0.476 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 101.7 | 168.5 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | R59 R60 V61 | R59-S81 PolarHBondContact O-N 2.58Å; R60-S81 WeakPolarHBondContact CA-O 3.17Å; V61-S81 PolarHBondContact N-O 2.71Å |
| 82 | V | 98.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.7 | -171.6 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | V61 L75 V76 F80 S84 V112 | V61-V82 WeakPolarHBondContact O-CA 3.45Å; L75-V82 HydrophobicContact CB-CG2 3.59Å; V76-V82 HydrophobicContact CG2-CB 3.84Å; V76-V82 HydrophobicContact CG2-CG2 3.77Å; F80-V82 HydrophobicContact CB-CG2 3.89Å; F80-V82 PolarHBondContact O-N 3.42Å; V82-S84 WeakPolarHBondContact CG1-OG 3.33Å; V82-V112 PolarHBondContact O-N 3.12Å |
| 83 | T | 98.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 17% | 0.166 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.1 | 161.5 | -59.3 | 0 | 0 | 0 | 0 | 107.3 | V61 L62 D63 V112 | V61-T83 PolarHBondContact O-N 3.33Å; L62-T83 CarbonylContact C-O 3.17Å; L62-T83 WeakPolarHBondContact CA-O 3.35Å; L62-T83 HydrophobicContact CD1-CG2 3.94Å; D63-T83 PolarHBondContact N-O 3.15Å; T83-V112 CarbonylContact C-O 3.2Å; T83-V112 WeakPolarHBondContact CA-O 3.12Å; T83-V112 HydrophobicContact CG2-CB 4.06Å; T83-V112 HydrophobicContact CG2-CG1 3.92Å |
| 84 | S | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.4 | -174.9 | -46.1 | 0 | 0 | 0 | 0 | 110 | D63 C66 S72 V82 W111 V112 I113 E114 | D63-S84 CarbonylContact O-C 3.47Å; D63-S84 WeakPolarHBondContact O-CA 3.41Å; C66-S84 WeakPolarHBondContact SG-CB 3.4Å; S72-S84 WeakPolarHBondContact CB-OG 3.33Å; S72-S84 WeakPolarHBondContact OG-CB 3.4Å; S72-S84 PolarHBondContact OG-OG 2.92Å; V82-S84 WeakPolarHBondContact CG1-OG 3.33Å; S84-W111 PolarHBondContact OG-NE1 3.21Å; S84-V112 PolarHBondContact N-O 2.46Å; S84-I113 VanDerWaalsContact O-CA 3.31Å; S84-I113 WeakPolarHBondContact O-CA 3.01Å; S84-E114 PolarHBondContact O-N 3.02Å |
| 85 | V | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.1 | 178.4 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | L62 D63 V64 C66 E114 A116 L121 V125 | L62-V85 HydrophobicContact CD1-CG2 4.34Å; D63-V85 PolarHBondContact O-N 3.4Å; V64-V85 CarbonylContact C-O 3.55Å; V64-V85 VanDerWaalsContact C-O 3.3Å; V64-V85 HydrophobicContact CB-CG2 4.36Å; V64-V85 HydrophobicContact CG1-CG2 4.35Å; C66-V85 VanDerWaalsContact CB-O 3.27Å; C66-V85 WeakPolarHBondContact CB-O 3.44Å; C66-V85 PolarHBondContact N-O 2.86Å; V85-E114 VanDerWaalsContact CA-O 3.24Å; V85-E114 WeakPolarHBondContact CA-O 3.35Å; V85-E114 HydrophobicContact CG1-CB 4.24Å; V85-A116 HydrophobicContact CB-CB 3.61Å; V85-A116 HydrophobicContact CG1-CB 3.91Å; V85-A116 HydrophobicContact CG2-CB 3.83Å; V85-L121 HydrophobicContact CG2-CD1 4.05Å; V85-V125 HydrophobicContact CG1-CG2 3.75Å; V85-V125 HydrophobicContact CG2-CG2 4.37Å |
| 86 | D | 97.5 | Very high | 95.2 | Very high | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 157.3 | 172.6 | -153.6 | -72.1 | 0 | 0 | 0 | 108.9 | C66 G67 S88 L92 E115 A116 | C66-D86 HydrophobicContact CB-CB 4.16Å; G67-D86 WeakPolarHBondContact CA-OD2 3.49Å; G67-D86 PolarHBondContact N-OD2 3.21Å; D86-S88 PolarHBondContact OD1-N 3.09Å; D86-L92 HydrophobicContact CB-CD1 4.15Å; D86-L92 HydrophobicContact CB-CD2 3.6Å; D86-L92 HydrophobicContact CB-CG 3.69Å; D86-E115 WeakPolarHBondContact O-CA 3.4Å; D86-A116 CarbonylContact C-O 3.59Å; D86-A116 PolarHBondContact O-N 3.25Å |
| 87 | A | 93.7 | Very high | 95.1 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 22% | 0.223 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -86.5 | -17.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A116 N117 | A87-A116 WeakPolarHBondContact CA-O 3.39Å; A87-A116 PolarHBondContact N-O 2.71Å; A87-N117 HydrophobicContact CB-CB 4.49Å |
| 88 | S | 90.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | trans | -94.5 | 108.6 | -179.4 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | D20 Y22 D86 K90 M91 L92 | D20-S88 PolarHBondContact OD1-OG 3.04Å; D20-S88 PolarHBondContact OD2-OG 3.36Å; Y22-S88 WeakPolarHBondContact CB-OG 3.2Å; D86-S88 PolarHBondContact OD1-N 3.09Å; S88-K90 PolarHBondContact O-N 3.47Å; S88-M91 PolarHBondContact O-N 3.42Å; S88-M91 VanDerWaalsContact O-N 3.11Å; S88-L92 PolarHBondContact O-N 3.29Å | ||
| 89 | D | 87.5 | Confident | 95.1 | Very high | 80 Ų | 80 | 44.1 Ų | 44.1 | 43% | 0.428 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.6 | -33.5 | 172.4 | 79.6 | -36.6 | 0 | 0 | 0 | 112 | M91 K93 | D89-M91 VanDerWaalsContact C-N 3.33Å; D89-M91 PolarHBondContact O-N 3.42Å; D89-K93 WeakPolarHBondContact O-CB 3.39Å; D89-K93 PolarHBondContact O-N 3.36Å |
| 90 | K | 88.1 | Confident | 95.1 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65 | -37.5 | 178.8 | -58 | -50 | 172.5 | -129.9 | 0 | 112 | A28 S88 Y94 | A28-K90 HydrophobicContact CB-CB 4.14Å; S88-K90 PolarHBondContact O-N 3.47Å; K90-Y94 VanDerWaalsContact O-CD2 3.23Å; K90-Y94 WeakPolarHBondContact O-CD2 3.49Å; K90-Y94 VanDerWaalsContact O-CE2 3.31Å; K90-Y94 WeakPolarHBondContact O-CE2 3.39Å |
| 91 | M | 87.9 | Confident | 95 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77.2 | -48.4 | 177.1 | -65.3 | -68.9 | -79.6 | 0 | 0 | 110.4 | Y22 A28 W31 G67 T68 S88 D89 K93 Y94 | Y22-M91 HydrophobicContact CD1-CG 4.31Å; Y22-M91 HydrophobicContact CD1-SD 4.05Å; Y22-M91 HydrophobicContact CD2-CG 4.35Å; Y22-M91 HydrophobicContact CE1-CE 4.49Å; Y22-M91 HydrophobicContact CE1-SD 4.41Å; Y22-M91 HydrophobicContact CG-CG 4.04Å; Y22-M91 HydrophobicContact CG-SD 4.38Å; A28-M91 HydrophobicContact CB-SD 3.77Å; W31-M91 HydrophobicContact CD2-CE 3.79Å; W31-M91 HydrophobicContact CE3-CE 4.19Å; W31-M91 HydrophobicContact CG-CE 4.06Å; W31-M91 HydrophobicContact CZ2-CE 4.24Å; G67-M91 CarbonylContact O-C 3.54Å; T68-M91 HydrophobicContact CG2-CE 4Å; T68-M91 HydrophobicContact CG2-SD 4.18Å; S88-M91 PolarHBondContact O-N 3.42Å; S88-M91 VanDerWaalsContact O-N 3.11Å; D89-M91 VanDerWaalsContact C-N 3.33Å; D89-M91 PolarHBondContact O-N 3.42Å; M91-K93 PolarHBondContact O-N 2.92Å; M91-K93 VanDerWaalsContact O-N 3.17Å; M91-Y94 PolarHBondContact O-N 2.98Å |
| 92 | L | 92.5 | Very high | 95 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -32.9 | 179.3 | -73.8 | -178.9 | 0 | 0 | 0 | 113.3 | C66 D86 S88 Y94 A95 L96 I113 E114 E115 | C66-L92 HydrophobicContact CB-CD2 3.99Å; D86-L92 HydrophobicContact CB-CD1 4.15Å; D86-L92 HydrophobicContact CB-CD2 3.6Å; D86-L92 HydrophobicContact CB-CG 3.69Å; S88-L92 PolarHBondContact O-N 3.29Å; L92-Y94 PolarHBondContact O-N 2.84Å; L92-Y94 VanDerWaalsContact O-N 3.08Å; L92-A95 PolarHBondContact O-N 2.98Å; L92-L96 HydrophobicContact CB-CD1 4.48Å; L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.15Å; L92-I113 HydrophobicContact CD2-CG2 3.75Å; L92-E114 WeakPolarHBondContact CD1-O 3.15Å; L92-E115 HydrophobicContact CD1-CB 4.16Å |
| 93 | K | 94 | Very high | 95 | Very high | 135 Ų | 135 | 55.3 Ų | 55.3 | 59% | 0.587 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -47.7 | -39.2 | 173.7 | 176.5 | -176.6 | 170.1 | -175.5 | 0 | 112.6 | D89 M91 K97 | D89-K93 WeakPolarHBondContact O-CB 3.39Å; D89-K93 PolarHBondContact O-N 3.36Å; M91-K93 PolarHBondContact O-N 2.92Å; M91-K93 VanDerWaalsContact O-N 3.17Å; K93-K97 VanDerWaalsContact O-CB 3.31Å; K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3Å |
| 94 | Y | 91.8 | Very high | 94.9 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 19% | 0.192 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.1 | -41.6 | -179.7 | -66.4 | -85.3 | 0 | 0 | 0 | 112.2 | A28 Q32 T68 K90 M91 L92 K97 E98 | A28-Y94 HydrophobicContact CB-CE2 3.98Å; Q32-Y94 HydrophobicContact CG-CE1 4.4Å; T68-Y94 HydrophobicContact CG2-CD2 4.02Å; T68-Y94 HydrophobicContact CG2-CG 4.09Å; K90-Y94 VanDerWaalsContact O-CD2 3.23Å; K90-Y94 WeakPolarHBondContact O-CD2 3.49Å; K90-Y94 VanDerWaalsContact O-CE2 3.31Å; K90-Y94 WeakPolarHBondContact O-CE2 3.39Å; M91-Y94 PolarHBondContact O-N 2.98Å; L92-Y94 PolarHBondContact O-N 2.84Å; L92-Y94 VanDerWaalsContact O-N 3.08Å; Y94-K97 PolarHBondContact O-N 2.99Å; Y94-E98 PolarHBondContact O-N 3.24Å |
| 95 | A | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T68 L92 K97 E98 R99 W111 I113 | T68-A95 WeakPolarHBondContact O-CA 3.46Å; T68-A95 PolarHBondContact O-N 3.25Å; L92-A95 PolarHBondContact O-N 2.98Å; A95-K97 VanDerWaalsContact C-N 3.34Å; A95-K97 PolarHBondContact O-N 3.45Å; A95-E98 PolarHBondContact O-N 2.87Å; A95-R99 PolarHBondContact O-N 2.88Å; A95-W111 HydrophobicContact CB-CH2 3.92Å; A95-W111 HydrophobicContact CB-CZ2 4.26Å; A95-I113 HydrophobicContact CB-CD1 4.01Å; A95-I113 HydrophobicContact CB-CG2 4.44Å |
| 96 | L | 97.3 | Very high | 94.9 | Very high | 69 Ų | 69 | 70.9 Ų | 70.9 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 175.9 | -73.2 | 167.4 | 0 | 0 | 0 | 112 | L92 E98 W100 I113 | L92-L96 HydrophobicContact CB-CD1 4.48Å; L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.15Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-W100 WeakPolarHBondContact O-CB 3.32Å; L96-W100 PolarHBondContact O-N 3.31Å; L96-I113 HydrophobicContact CD2-CB 3.95Å; L96-I113 HydrophobicContact CD2-CD1 4.26Å; L96-I113 HydrophobicContact CD2-CG2 3.99Å; L96-I113 HydrophobicContact CG-CG2 4.09Å |
| 97 | K | 96.6 | Very high | 94.9 | Very high | 132 Ų | 132 | 71.8 Ų | 71.8 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 175.2 | -177.7 | 178.2 | 179.2 | -176.1 | 0 | 111.3 | K93 Y94 A95 W100 N101 | K93-K97 VanDerWaalsContact O-CB 3.31Å; K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3Å; Y94-K97 PolarHBondContact O-N 2.99Å; A95-K97 VanDerWaalsContact C-N 3.34Å; A95-K97 PolarHBondContact O-N 3.45Å; K97-W100 PolarHBondContact O-N 2.95Å; K97-N101 PolarHBondContact O-N 3.45Å; K97-N101 PolarHBondContact O-ND2 3.4Å; K97-N101 PolarHBondContact O-OD1 2.85Å |
| 98 | E | 96.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 70.6 Ų | 70.6 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 179.3 | -169.7 | 57.9 | -156.7 | 0 | 0 | 111.9 | I73 Y94 A95 L96 W100 N101 R102 | I73-E98 HydrophobicContact CD1-CB 4.18Å; I73-E98 HydrophobicContact CD1-CG 3.7Å; I73-E98 HydrophobicContact CG1-CG 4.26Å; Y94-E98 PolarHBondContact O-N 3.24Å; A95-E98 PolarHBondContact O-N 2.87Å; L96-E98 VanDerWaalsContact C-N 3.34Å; E98-W100 VanDerWaalsContact C-N 3.27Å; E98-W100 PolarHBondContact O-N 3.36Å; E98-N101 PolarHBondContact O-N 3.4Å; E98-N101 VanDerWaalsContact O-N 3.15Å; E98-R102 PolarHBondContact O-N 2.87Å; E98-R102 WeakPolarHBondContact OE1-CD 3.43Å |
| 99 | R | 97.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 75.9 Ų | 75.9 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.9 | -46.3 | 172 | -172.3 | -179.5 | 68.5 | 173.5 | -1 | 111.3 | A95 R102 R103 F108 W111 I113 | A95-R99 PolarHBondContact O-N 2.88Å; R99-R102 CarbonylContact O-C 3.57Å; R99-R102 PolarHBondContact O-N 2.95Å; R99-R103 WeakPolarHBondContact O-CA 3.23Å; R99-R103 PolarHBondContact O-N 2.79Å; R99-F108 VanDerWaalsContact CG-O 3.32Å; R99-F108 WeakPolarHBondContact CG-O 3.18Å; R99-W111 HydrophobicContact CB-CE3 3.7Å; R99-W111 HydrophobicContact CB-CZ3 3.86Å; R99-W111 WeakPolarHBondContact CD-O 3.19Å; R99-W111 HydrophobicContact CG-CE3 3.95Å; R99-W111 PolarHBondContact NH1-O 2.68Å; R99-I113 HydrophobicContact CB-CD1 3.83Å; R99-I113 HydrophobicContact CG-CD1 4.39Å |
| 100 | W | 98 | Very high | 96 | Very high | 162 Ų | 162 | 79.6 Ų | 79.6 | 61% | 0.614 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 178 | 178.4 | -101.5 | 0 | 0 | 0 | 112.2 | L96 K97 E98 R102 R103 | L96-W100 WeakPolarHBondContact O-CB 3.32Å; L96-W100 PolarHBondContact O-N 3.31Å; K97-W100 PolarHBondContact O-N 2.95Å; E98-W100 VanDerWaalsContact C-N 3.27Å; E98-W100 PolarHBondContact O-N 3.36Å; W100-R102 VanDerWaalsContact C-N 3.25Å; W100-R102 PolarHBondContact O-N 2.87Å; W100-R103 WeakPolarHBondContact O-CB 3.43Å; W100-R103 WeakPolarHBondContact O-CD 3.47Å; W100-R103 WeakPolarHBondContact O-CG 3.16Å; W100-R103 PolarHBondContact O-N 2.99Å; W100-R103 PolarHBondContact O-NH1 3.04Å |
| 101 | N | 98.1 | Very high | 96.5 | Very high | 87 Ų | 87 | 76.2 Ų | 76.2 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 179.1 | -68.6 | -21.7 | 0 | 0 | 0 | 111.8 | K97 E98 | K97-N101 PolarHBondContact O-N 3.45Å; K97-N101 PolarHBondContact O-ND2 3.4Å; K97-N101 PolarHBondContact O-OD1 2.85Å; E98-N101 PolarHBondContact O-N 3.4Å; E98-N101 VanDerWaalsContact O-N 3.15Å |
| 102 | R | 98.1 | Very high | 97 | Very high | 53 Ų | 53 | 78.8 Ų | 78.8 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 11.6 | -176.3 | -62.7 | -177.1 | 67.8 | 177.8 | -1.5 | 114.5 | E77 E98 R99 W100 K104 E105 F108 | E77-R102 IonicContact OE1-CZ 2.77Å; E77-R102 IonicContact OE1-NH1 3.54Å; E77-R102 PolarHBondContact OE1-NH1 3.01Å; E77-R102 IonicContact OE1-NH2 3.41Å; E77-R102 PolarHBondContact OE1-NH2 3.36Å; E98-R102 PolarHBondContact O-N 2.87Å; E98-R102 WeakPolarHBondContact OE1-CD 3.43Å; R99-R102 CarbonylContact O-C 3.57Å; R99-R102 PolarHBondContact O-N 2.95Å; W100-R102 VanDerWaalsContact C-N 3.25Å; W100-R102 PolarHBondContact O-N 2.87Å; R102-K104 PolarHBondContact O-N 3.03Å; R102-E105 WeakPolarHBondContact CB-OE1 3.24Å; R102-E105 IonicContact CZ-OE1 3.54Å; R102-E105 IonicContact CZ-OE2 3.49Å; R102-E105 IonicContact NE-OE1 3.54Å; R102-E105 PolarHBondContact NE-OE1 2.82Å; R102-E105 IonicContact NE-OE2 3.8Å; R102-E105 PolarHBondContact NE-OE2 2.86Å; R102-E105 IonicContact NH2-OE1 2.74Å; R102-E105 PolarHBondContact NH2-OE1 3.15Å; R102-E105 IonicContact NH2-OE2 2.77Å; R102-E105 PolarHBondContact NH2-OE2 3.34Å; R102-E105 WeakPolarHBondContact O-CB 3.41Å; R102-E105 PolarHBondContact O-N 3.01Å; R102-F108 HydrophobicContact CB-CB 4.04Å; R102-F108 HydrophobicContact CB-CD1 3.88Å; R102-F108 HydrophobicContact CB-CD2 4.08Å; R102-F108 HydrophobicContact CB-CE1 4.41Å; R102-F108 HydrophobicContact CB-CG 3.7Å |
| 103 | R | 97.8 | Very high | 97.3 | Very high | 92 Ų | 92 | 78.7 Ų | 78.7 | 35% | 0.347 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -11.3 | -177.5 | 73.2 | -169.3 | 178.5 | -72.8 | 1.3 | 116.1 | R99 W100 | R99-R103 WeakPolarHBondContact O-CA 3.23Å; R99-R103 PolarHBondContact O-N 2.79Å; W100-R103 WeakPolarHBondContact O-CB 3.43Å; W100-R103 WeakPolarHBondContact O-CD 3.47Å; W100-R103 WeakPolarHBondContact O-CG 3.16Å; W100-R103 PolarHBondContact O-N 2.99Å; W100-R103 PolarHBondContact O-NH1 3.04Å |
| 104 | K | 98.3 | Very high | 97.5 | Very high | 180 Ų | 180 | 77.7 Ų | 77.7 | 78% | 0.783 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -12.7 | 174.8 | -62.3 | -57 | -174.9 | -178.3 | 0 | 112.8 | R102 | R102-K104 PolarHBondContact O-N 3.03Š|
| 105 | E | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 80.8 Ų | 80.8 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -84.7 | 121.7 | 171.1 | -64 | 172 | -123.8 | 0 | 0 | 108.9 | R102 A107 F108 D109 | R102-E105 WeakPolarHBondContact CB-OE1 3.24Å; R102-E105 IonicContact CZ-OE1 3.54Å; R102-E105 IonicContact CZ-OE2 3.49Å; R102-E105 IonicContact NE-OE1 3.54Å; R102-E105 PolarHBondContact NE-OE1 2.82Å; R102-E105 IonicContact NE-OE2 3.8Å; R102-E105 PolarHBondContact NE-OE2 2.86Å; R102-E105 IonicContact NH2-OE1 2.74Å; R102-E105 PolarHBondContact NH2-OE1 3.15Å; R102-E105 IonicContact NH2-OE2 2.77Å; R102-E105 PolarHBondContact NH2-OE2 3.34Å; R102-E105 WeakPolarHBondContact O-CB 3.41Å; R102-E105 PolarHBondContact O-N 3.01Å; E105-A107 PolarHBondContact O-N 2.96Å; E105-F108 HydrophobicContact CB-CB 4.44Å; E105-F108 HydrophobicContact CB-CD2 3.98Å; E105-F108 PolarHBondContact O-N 3.03Å; E105-D109 PolarHBondContact O-N 2.84Å; E105-D109 VanDerWaalsContact O-N 3.07Å |
| 106 | P | 98.3 | Very high | 97.8 | Very high | 95 Ų | 95 | 81.1 Ų | 81.1 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.5 | -24.4 | -176.4 | -28 | 35.3 | 0 | 0 | 0 | 114.9 | K110 | P106-K110 WeakPolarHBondContact O-CD 3.22Å; P106-K110 WeakPolarHBondContact O-CG 3.45Å |
| 107 | A | 97.9 | Very high | 97.7 | Very high | 45 Ų | 45 | 78.3 Ų | 78.3 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.2 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V76 E105 K110 W111 | V76-A107 HydrophobicContact CG1-CB 3.85Å; E105-A107 PolarHBondContact O-N 2.96Å; A107-K110 PolarHBondContact O-N 3.29Å; A107-W111 PolarHBondContact O-N 3.48Å |
| 108 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 73.5 Ų | 73.5 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.5 | -31.4 | 179.6 | -77.7 | -95.1 | 0 | 0 | 0 | 112.7 | I73 V76 E77 R99 R102 E105 K110 W111 | I73-F108 HydrophobicContact CG1-CE1 4.31Å; I73-F108 HydrophobicContact CG2-CE1 4.23Å; I73-F108 HydrophobicContact CG2-CZ 4.06Å; V76-F108 HydrophobicContact CB-CZ 4.44Å; V76-F108 HydrophobicContact CG1-CD1 4.24Å; V76-F108 HydrophobicContact CG1-CD2 3.85Å; V76-F108 HydrophobicContact CG1-CE1 4.22Å; V76-F108 HydrophobicContact CG1-CE2 3.79Å; V76-F108 HydrophobicContact CG1-CG 4.05Å; V76-F108 HydrophobicContact CG1-CZ 3.97Å; E77-F108 HydrophobicContact CG-CE2 4.01Å; E77-F108 HydrophobicContact CG-CZ 3.89Å; R99-F108 VanDerWaalsContact CG-O 3.32Å; R99-F108 WeakPolarHBondContact CG-O 3.18Å; R102-F108 HydrophobicContact CB-CB 4.04Å; R102-F108 HydrophobicContact CB-CD1 3.88Å; R102-F108 HydrophobicContact CB-CD2 4.08Å; R102-F108 HydrophobicContact CB-CE1 4.41Å; R102-F108 HydrophobicContact CB-CG 3.7Å; E105-F108 HydrophobicContact CB-CB 4.44Å; E105-F108 HydrophobicContact CB-CD2 3.98Å; E105-F108 PolarHBondContact O-N 3.03Å; F108-K110 PolarHBondContact O-N 2.88Å; F108-W111 AromaticContact CD1-CE3 3.82Å; F108-W111 HydrophobicContact CD1-CE3 3.82Å; F108-W111 HydrophobicContact CD1-CZ3 4.24Å; F108-W111 HydrophobicContact CE1-CE3 4.14Å; F108-W111 HydrophobicContact CE1-CZ3 4.25Å; F108-W111 WeakPolarHBondContact O-CB 3.35Å; F108-W111 PolarHBondContact O-N 2.81Å; F108-W111 VanDerWaalsContact O-N 3.17Å |
| 109 | D | 97.9 | Very high | 97.9 | Very high | 114 Ų | 114 | 71.7 Ų | 71.7 | 61% | 0.61 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.3 | -32.4 | 173 | -170.6 | 62.5 | 0 | 0 | 0 | 112 | E105 | E105-D109 PolarHBondContact O-N 2.84Å; E105-D109 VanDerWaalsContact O-N 3.07Å |
| 110 | K | 98.3 | Very high | 97.8 | Very high | 157 Ų | 157 | 70.7 Ų | 70.7 | 68% | 0.683 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4.7 | 177.3 | -66 | 174.7 | -174.1 | 178.1 | 0 | 114.2 | P106 A107 F108 V112 | P106-K110 WeakPolarHBondContact O-CD 3.22Å; P106-K110 WeakPolarHBondContact O-CG 3.45Å; A107-K110 PolarHBondContact O-N 3.29Å; F108-K110 PolarHBondContact O-N 2.88Å; K110-V112 PolarHBondContact O-N 2.92Å |
| 111 | W | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | trans | -73.5 | 118.7 | 179.7 | 178.1 | 23.7 | 0 | 0 | 0 | 110.2 | I73 V76 S84 A95 R99 A107 F108 I113 | I73-W111 HydrophobicContact CD1-CH2 4.31Å; I73-W111 HydrophobicContact CG1-CH2 3.66Å; I73-W111 HydrophobicContact CG1-CZ3 3.78Å; V76-W111 HydrophobicContact CG2-CB 3.94Å; V76-W111 HydrophobicContact CG2-CD2 4.06Å; V76-W111 HydrophobicContact CG2-CG 3.69Å; S84-W111 PolarHBondContact OG-NE1 3.21Å; A95-W111 HydrophobicContact CB-CH2 3.92Å; A95-W111 HydrophobicContact CB-CZ2 4.26Å; R99-W111 HydrophobicContact CB-CE3 3.7Å; R99-W111 HydrophobicContact CB-CZ3 3.86Å; R99-W111 WeakPolarHBondContact CD-O 3.19Å; R99-W111 HydrophobicContact CG-CE3 3.95Å; R99-W111 PolarHBondContact NH1-O 2.68Å; A107-W111 PolarHBondContact O-N 3.48Å; F108-W111 AromaticContact CD1-CE3 3.82Å; F108-W111 HydrophobicContact CD1-CE3 3.82Å; F108-W111 HydrophobicContact CD1-CZ3 4.24Å; F108-W111 HydrophobicContact CE1-CE3 4.14Å; F108-W111 HydrophobicContact CE1-CZ3 4.25Å; F108-W111 WeakPolarHBondContact O-CB 3.35Å; F108-W111 PolarHBondContact O-N 2.81Å; F108-W111 VanDerWaalsContact O-N 3.17Å; W111-I113 HydrophobicContact CD2-CD1 3.75Å; W111-I113 HydrophobicContact CD2-CG1 3.83Å; W111-I113 VanDerWaalsContact CE2-CG1 3.44Å; W111-I113 HydrophobicContact CE3-CD1 3.82Å; W111-I113 HydrophobicContact CE3-CG1 4.41Å; W111-I113 HydrophobicContact CG-CG1 4.21Å; W111-I113 HydrophobicContact CH2-CD1 3.56Å; W111-I113 HydrophobicContact CH2-CG1 4.3Å; W111-I113 HydrophobicContact CZ2-CD1 3.49Å; W111-I113 VanDerWaalsContact CZ2-CD1 3.49Å; W111-I113 HydrophobicContact CZ2-CG1 3.7Å; W111-I113 HydrophobicContact CZ3-CD1 3.73Å | ||
| 112 | V | 98.6 | Very high | 97.6 | Very high | 58 Ų | 58 | 62.7 Ų | 62.7 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.5 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | V82 T83 S84 K110 E114 | V82-V112 PolarHBondContact O-N 3.12Å; T83-V112 CarbonylContact C-O 3.2Å; T83-V112 WeakPolarHBondContact CA-O 3.12Å; T83-V112 HydrophobicContact CG2-CB 4.06Å; T83-V112 HydrophobicContact CG2-CG1 3.92Å; S84-V112 PolarHBondContact N-O 2.46Å; K110-V112 PolarHBondContact O-N 2.92Å; V112-E114 HydrophobicContact CG1-CG 3.98Å |
| 113 | I | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 118.3 | 177.9 | -54.4 | 172.2 | 0 | 0 | 0 | 107.3 | S84 L92 A95 L96 R99 W111 | S84-I113 VanDerWaalsContact O-CA 3.31Å; S84-I113 WeakPolarHBondContact O-CA 3.01Å; L92-I113 HydrophobicContact CD2-CG2 3.75Å; A95-I113 HydrophobicContact CB-CD1 4.01Å; A95-I113 HydrophobicContact CB-CG2 4.44Å; L96-I113 HydrophobicContact CD2-CB 3.95Å; L96-I113 HydrophobicContact CD2-CD1 4.26Å; L96-I113 HydrophobicContact CD2-CG2 3.99Å; L96-I113 HydrophobicContact CG-CG2 4.09Å; R99-I113 HydrophobicContact CB-CD1 3.83Å; R99-I113 HydrophobicContact CG-CD1 4.39Å; W111-I113 HydrophobicContact CD2-CD1 3.75Å; W111-I113 HydrophobicContact CD2-CG1 3.83Å; W111-I113 VanDerWaalsContact CE2-CG1 3.44Å; W111-I113 HydrophobicContact CE3-CD1 3.82Å; W111-I113 HydrophobicContact CE3-CG1 4.41Å; W111-I113 HydrophobicContact CG-CG1 4.21Å; W111-I113 HydrophobicContact CH2-CD1 3.56Å; W111-I113 HydrophobicContact CH2-CG1 4.3Å; W111-I113 HydrophobicContact CZ2-CD1 3.49Å; W111-I113 VanDerWaalsContact CZ2-CD1 3.49Å; W111-I113 HydrophobicContact CZ2-CG1 3.7Å; W111-I113 HydrophobicContact CZ3-CD1 3.73Å |
| 114 | E | 97.4 | Very high | 97.4 | Very high | 115 Ų | 115 | 66.8 Ų | 66.8 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 161.9 | -178.4 | -61.3 | -59.8 | 156.2 | 0 | 0 | 111 | S84 V85 L92 V112 | S84-E114 PolarHBondContact O-N 3.02Å; V85-E114 VanDerWaalsContact CA-O 3.24Å; V85-E114 WeakPolarHBondContact CA-O 3.35Å; V85-E114 HydrophobicContact CG1-CB 4.24Å; L92-E114 WeakPolarHBondContact CD1-O 3.15Å; V112-E114 HydrophobicContact CG1-CG 3.98Å |
| 115 | E | 97.1 | Very high | 97.4 | Very high | 114 Ų | 114 | 58.6 Ų | 58.6 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.1 | 169.6 | -169.9 | -177 | 150.3 | 0 | 0 | 109.6 | D86 L92 | D86-E115 WeakPolarHBondContact O-CA 3.4Å; L92-E115 HydrophobicContact CD1-CB 4.16Å |
| 116 | A | 96.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 5% | 0.05 | 32% | 0.32 | C | S | . | . | trans | -155.2 | 155.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V85 D86 A87 L121 D124 V125 | V85-A116 HydrophobicContact CB-CB 3.61Å; V85-A116 HydrophobicContact CG1-CB 3.91Å; V85-A116 HydrophobicContact CG2-CB 3.83Å; D86-A116 CarbonylContact C-O 3.59Å; D86-A116 PolarHBondContact O-N 3.25Å; A87-A116 WeakPolarHBondContact CA-O 3.39Å; A87-A116 PolarHBondContact N-O 2.71Å; A116-L121 HydrophobicContact CB-CD1 3.81Å; A116-D124 HydrophobicContact CB-CB 3.59Å; A116-V125 HydrophobicContact CB-CG2 3.92Å | ||
| 117 | N | 95.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | trans | -121.8 | 133.3 | -178.6 | 177.9 | -28.5 | 0 | 0 | 0 | 110.1 | E16 L18 A87 L119 T120 L121 D124 | E16-N117 PolarHBondContact O-ND2 3.25Å; E16-N117 VanDerWaalsContact O-ND2 3.11Å; L18-N117 WeakPolarHBondContact CD1-ND2 3.35Å; L18-N117 WeakPolarHBondContact CD1-OD1 3.28Å; A87-N117 HydrophobicContact CB-CB 4.49Å; N117-L119 PolarHBondContact O-N 3.25Å; N117-L119 WeakPolarHBondContact OD1-CB 3.29Å; N117-L119 PolarHBondContact OD1-N 3.46Å; N117-T120 CarbonylContact O-C 3.58Å; N117-T120 PolarHBondContact O-N 3.18Å; N117-T120 PolarHBondContact O-OG1 3.25Å; N117-L121 WeakPolarHBondContact O-CA 3.19Å; N117-L121 WeakPolarHBondContact O-CB 3.29Å; N117-L121 PolarHBondContact O-N 2.64Å; N117-D124 PolarHBondContact N-OD2 2.91Å | ||
| 118 | W | 98.3 | Very high | 96.6 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31.5 | -179.3 | -55.2 | -30.3 | 0 | 0 | 0 | 113.8 | V64 A65 T120 S140 F141 L144 A157 N160 I161 | V64-W118 PolarHBondContact O-NE1 2.96Å; A65-W118 HydrophobicContact CB-CZ2 4.29Å; W118-T120 PolarHBondContact O-N 2.6Å; W118-S140 WeakPolarHBondContact CH2-O 3.37Å; W118-F141 AromaticContact CE3-CD2 3.96Å; W118-F141 HydrophobicContact CE3-CD2 3.96Å; W118-F141 HydrophobicContact CE3-CE2 4.22Å; W118-F141 AromaticContact CZ3-CD2 3.95Å; W118-F141 HydrophobicContact CZ3-CD2 3.95Å; W118-L144 HydrophobicContact CE3-CB 4.46Å; W118-L144 HydrophobicContact CE3-CD2 4.5Å; W118-L144 HydrophobicContact CZ3-CB 4.29Å; W118-A157 HydrophobicContact CB-CB 3.7Å; W118-N160 VanDerWaalsContact O-CB 3.29Å; W118-N160 WeakPolarHBondContact O-CB 3.32Å; W118-N160 PolarHBondContact O-ND2 3.24Å; W118-I161 HydrophobicContact CB-CD1 4.28Å; W118-I161 HydrophobicContact CB-CG1 4.48Å; W118-I161 HydrophobicContact CD2-CD1 4.15Å; W118-I161 HydrophobicContact CG-CD1 3.87Å; W118-I161 HydrophobicContact CG-CG1 4.29Å |
| 119 | L | 96.9 | Very high | 96.4 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -20.2 | 178.5 | -59.3 | 178.4 | 0 | 0 | 0 | 113.3 | L18 N117 L144 E153 L156 A157 N160 | L18-L119 HydrophobicContact CD1-CD1 3.95Å; L18-L119 HydrophobicContact CD1-CG 4.06Å; L18-L119 HydrophobicContact CG-CD1 4.24Å; N117-L119 PolarHBondContact O-N 3.25Å; N117-L119 WeakPolarHBondContact OD1-CB 3.29Å; N117-L119 PolarHBondContact OD1-N 3.46Å; L119-L144 HydrophobicContact CD1-CD1 4.46Å; L119-L144 HydrophobicContact CD2-CD1 4.45Å; L119-L144 HydrophobicContact CD2-CD2 4.33Å; L119-E153 HydrophobicContact CD2-CB 4.14Å; L119-E153 WeakPolarHBondContact CD2-O 3.33Å; L119-L156 HydrophobicContact CD2-CD2 4.34Å; L119-A157 HydrophobicContact CD2-CB 4.13Å; L119-N160 PolarHBondContact O-ND2 2.82Å |
| 120 | T | 97.4 | Very high | 96.4 | Very high | 50 Ų | 50 | 60 Ų | 60 | 31% | 0.307 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 11.9 | -178.3 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | N117 W118 D122 K123 D124 | N117-T120 CarbonylContact O-C 3.58Å; N117-T120 PolarHBondContact O-N 3.18Å; N117-T120 PolarHBondContact O-OG1 3.25Å; W118-T120 PolarHBondContact O-N 2.6Å; T120-D122 VanDerWaalsContact C-OD1 3.3Å; T120-D122 PolarHBondContact O-N 3.35Å; T120-K123 WeakPolarHBondContact O-CB 3.33Å; T120-K123 PolarHBondContact O-N 3.17Å; T120-D124 WeakPolarHBondContact CB-OD2 3.08Å; T120-D124 VanDerWaalsContact O-CG 3.22Å; T120-D124 PolarHBondContact O-N 2.92Å; T120-D124 VanDerWaalsContact O-N 3.08Å; T120-D124 PolarHBondContact OG1-OD2 3.35Å |
| 121 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.6 | -28.9 | -171.1 | -170.1 | 70.1 | 0 | 0 | 0 | 113.3 | V64 V85 A116 N117 K123 D124 V125 N160 I161 M164 | V64-L121 HydrophobicContact CG1-CD2 3.95Å; V85-L121 HydrophobicContact CG2-CD1 4.05Å; A116-L121 HydrophobicContact CB-CD1 3.81Å; N117-L121 WeakPolarHBondContact O-CA 3.19Å; N117-L121 WeakPolarHBondContact O-CB 3.29Å; N117-L121 PolarHBondContact O-N 2.64Å; L121-K123 PolarHBondContact O-N 3.41Å; L121-D124 PolarHBondContact O-N 2.78Å; L121-V125 HydrophobicContact CD1-CB 4.27Å; L121-V125 HydrophobicContact CD1-CG2 3.65Å; L121-V125 HydrophobicContact CG-CG2 4.49Å; L121-V125 PolarHBondContact O-N 3.3Å; L121-N160 HydrophobicContact CB-CB 4.12Å; L121-I161 HydrophobicContact CD2-CG1 4.04Å; L121-M164 HydrophobicContact CD2-CG 3.77Å; L121-M164 HydrophobicContact CG-CE 4.13Å; L121-M164 HydrophobicContact CG-CG 4.21Å; L121-M164 VanDerWaalsContact O-CE 3.29Å; L121-M164 WeakPolarHBondContact O-CE 3.24Å |
| 122 | D | 94.3 | Very high | 96.4 | Very high | 82 Ų | 82 | 53.8 Ų | 53.8 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -24.6 | 175.1 | 62.6 | -53.3 | 0 | 0 | 0 | 113.6 | T120 N160 | T120-D122 VanDerWaalsContact C-OD1 3.3Å; T120-D122 PolarHBondContact O-N 3.35Å; D122-N160 PolarHBondContact OD1-ND2 3.4Å |
| 123 | K | 95.9 | Very high | 96.4 | Very high | 165 Ų | 165 | 51 Ų | 51 | 72% | 0.717 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -101.7 | -35.4 | 176.8 | -58.6 | 173.6 | -171.7 | 170.2 | 0 | 111.9 | T120 L121 | T120-K123 WeakPolarHBondContact O-CB 3.33Å; T120-K123 PolarHBondContact O-N 3.17Å; L121-K123 PolarHBondContact O-N 3.41Å |
| 124 | D | 96 | Very high | 96.4 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -74.2 | -35.5 | -174 | -56.2 | -19.7 | 0 | 0 | 0 | 111.6 | A116 N117 T120 L121 | A116-D124 HydrophobicContact CB-CB 3.59Å; N117-D124 PolarHBondContact N-OD2 2.91Å; T120-D124 WeakPolarHBondContact CB-OD2 3.08Å; T120-D124 VanDerWaalsContact O-CG 3.22Å; T120-D124 PolarHBondContact O-N 2.92Å; T120-D124 VanDerWaalsContact O-N 3.08Å; T120-D124 PolarHBondContact OG1-OD2 3.35Å; L121-D124 PolarHBondContact O-N 2.78Å |
| 125 | V | 96.7 | Very high | 96.5 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -117.8 | 117.7 | -178 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | L62 V85 A116 L121 A127 F131 M164 | L62-V125 HydrophobicContact CD1-CG1 4.33Å; L62-V125 HydrophobicContact CD2-CG1 4.47Å; V85-V125 HydrophobicContact CG1-CG2 3.75Å; V85-V125 HydrophobicContact CG2-CG2 4.37Å; A116-V125 HydrophobicContact CB-CG2 3.92Å; L121-V125 HydrophobicContact CD1-CB 4.27Å; L121-V125 HydrophobicContact CD1-CG2 3.65Å; L121-V125 HydrophobicContact CG-CG2 4.49Å; L121-V125 PolarHBondContact O-N 3.3Å; V125-A127 PolarHBondContact O-N 3.3Å; V125-F131 HydrophobicContact CG1-CE2 4.13Å; V125-F131 HydrophobicContact CG1-CZ 4.28Å; V125-M164 HydrophobicContact CB-SD 4.23Å; V125-M164 HydrophobicContact CG1-SD 4.16Å |
| 126 | P | 94.4 | Very high | 96.6 | Very high | 117 Ų | 117 | 39.9 Ų | 39.9 | 76% | 0.76 | 23% | 0.234 | S | C | * | . | trans | -71.5 | 99.1 | 175.6 | 29 | -33.1 | 0 | 0 | 0 | 110 | G128 | P126-G128 VanDerWaalsContact C-N 3.29Å; P126-G128 PolarHBondContact O-N 2.66Å | ||
| 127 | A | 91 | Very high | 96.6 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | trans | -61.3 | -36.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V125 D129 G130 M164 | V125-A127 PolarHBondContact O-N 3.3Å; A127-D129 PolarHBondContact O-N 3Å; A127-G130 WeakPolarHBondContact O-CA 3.24Å; A127-G130 PolarHBondContact O-N 3.39Å; A127-M164 HydrophobicContact CB-CE 4.16Å; A127-M164 HydrophobicContact CB-SD 3.67Å | ||
| 128 | G | 93.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 76% | 0.763 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | -125.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P126 G130 | P126-G128 VanDerWaalsContact C-N 3.29Å; P126-G128 PolarHBondContact O-N 2.66Å; G128-G130 PolarHBondContact O-N 3.35Å |
| 129 | D | 93 | Very high | 96.4 | Very high | 148 Ų | 148 | 39.1 Ų | 39.1 | 79% | 0.791 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 1.7 | 173.3 | -56.9 | -43.2 | 0 | 0 | 0 | 113.8 | A127 R166 | A127-D129 PolarHBondContact O-N 3Å; D129-R166 WeakPolarHBondContact O-CB 3.36Å |
| 130 | G | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 39 Ų | 39 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | trans | 90 | -179 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | R60 A127 G128 M164 | R60-G130 PolarHBondContact NH1-O 3.07Å; A127-G130 WeakPolarHBondContact O-CA 3.24Å; A127-G130 PolarHBondContact O-N 3.39Å; G128-G130 PolarHBondContact O-N 3.35Å; G130-M164 CarbonylContact C-O 3.46Å; G130-M164 WeakPolarHBondContact CA-O 3.47Å | ||
| 131 | F | 98.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 147.7 | 178.7 | -67.3 | -96.2 | 0 | 0 | 0 | 111.1 | R60 L62 V125 A133 V134 M164 R166 | R60-F131 HydrophobicContact CB-CD1 4.23Å; L62-F131 HydrophobicContact CB-CB 4.21Å; L62-F131 HydrophobicContact CB-CD1 3.69Å; L62-F131 HydrophobicContact CB-CD2 3.78Å; L62-F131 HydrophobicContact CB-CE1 3.91Å; L62-F131 HydrophobicContact CB-CE2 4Å; L62-F131 HydrophobicContact CB-CG 3.62Å; L62-F131 HydrophobicContact CB-CZ 4.06Å; L62-F131 HydrophobicContact CD1-CE1 4.48Å; L62-F131 HydrophobicContact CD1-CE2 4.35Å; L62-F131 HydrophobicContact CD1-CZ 4.1Å; L62-F131 HydrophobicContact CD2-CD2 4.01Å; L62-F131 HydrophobicContact CD2-CE2 3.9Å; L62-F131 HydrophobicContact CD2-CZ 4.47Å; L62-F131 HydrophobicContact CG-CD2 4.44Å; L62-F131 HydrophobicContact CG-CE2 4.31Å; L62-F131 HydrophobicContact CG-CZ 4.43Å; V125-F131 HydrophobicContact CG1-CE2 4.13Å; V125-F131 HydrophobicContact CG1-CZ 4.28Å; F131-A133 VanDerWaalsContact C-N 3.27Å; F131-A133 PolarHBondContact O-N 2.77Å; F131-V134 HydrophobicContact CB-CG2 4.2Å; F131-M164 HydrophobicContact CD2-CB 4.33Å; F131-M164 PolarHBondContact N-O 2.58Å; F131-R166 WeakPolarHBondContact O-CG 3.45Å; F131-R166 PolarHBondContact O-N 3.41Å |
| 132 | D | 98.8 | Very high | 96.4 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -34.8 | 176.8 | -63.3 | -55.8 | 0 | 0 | 0 | 111.8 | C58 R59 R60 R166 G169 L170 | C58-D132 HydrophobicContact CB-CB 3.75Å; R59-D132 WeakPolarHBondContact CA-OD2 3.17Å; R59-D132 PolarHBondContact N-OD2 2.77Å; R60-D132 PolarHBondContact N-OD2 2.85Å; R60-D132 WeakPolarHBondContact O-CB 3.4Å; R60-D132 PolarHBondContact O-N 3.49Å; D132-R166 IonicContact OD1-CZ 3.18Å; D132-R166 IonicContact OD1-NE 2.66Å; D132-R166 PolarHBondContact OD1-NE 3.15Å; D132-R166 IonicContact OD1-NH2 2.81Å; D132-R166 PolarHBondContact OD1-NH2 2.84Å; D132-G169 CarbonylContact O-C 3.59Å; D132-G169 WeakPolarHBondContact O-CA 3.35Å; D132-L170 PolarHBondContact O-N 3.06Å |
| 133 | A | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 143.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L53 C58 R60 V61 L62 F131 L170 | L53-A133 HydrophobicContact CD2-CB 3.4Å; L53-A133 VanDerWaalsContact CD2-CB 3.4Å; C58-A133 HydrophobicContact CB-CB 4.32Å; R60-A133 PolarHBondContact O-N 2.63Å; V61-A133 CarbonylContact C-O 3.54Å; V61-A133 VanDerWaalsContact CA-O 3.29Å; V61-A133 WeakPolarHBondContact CA-O 3.46Å; V61-A133 HydrophobicContact CG1-CB 4.31Å; V61-A133 HydrophobicContact CG2-CB 4.33Å; L62-A133 PolarHBondContact N-O 3.08Å; F131-A133 VanDerWaalsContact C-N 3.27Å; F131-A133 PolarHBondContact O-N 2.77Å; A133-L170 CarbonylContact C-O 3.51Å; A133-L170 VanDerWaalsContact CA-O 3.26Å; A133-L170 WeakPolarHBondContact CA-O 3.46Å; A133-L170 HydrophobicContact CB-CB 4.23Å |
| 134 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.6 | 168.9 | -176.3 | 0 | 0 | 0 | 0 | 107.4 | L62 V64 F131 I161 M164 V165 L170 L171 V172 | L62-V134 HydrophobicContact CB-CG1 4.41Å; L62-V134 HydrophobicContact CB-CG2 4.25Å; L62-V134 HydrophobicContact CD2-CG1 4.31Å; L62-V134 HydrophobicContact CD2-CG2 4.49Å; L62-V134 HydrophobicContact CG-CG1 4.48Å; L62-V134 CarbonylContact O-C 3.36Å; L62-V134 VanDerWaalsContact O-CA 3.28Å; L62-V134 WeakPolarHBondContact O-CA 3.47Å; V64-V134 HydrophobicContact CG1-CG1 3.79Å; V64-V134 HydrophobicContact CG2-CG1 4.36Å; F131-V134 HydrophobicContact CB-CG2 4.2Å; V134-I161 HydrophobicContact CG1-CG2 4Å; V134-M164 HydrophobicContact CG2-CB 3.86Å; V134-V165 HydrophobicContact CB-CG2 3.95Å; V134-V165 HydrophobicContact CG2-CB 4.36Å; V134-V165 HydrophobicContact CG2-CG2 3.55Å; V134-L170 PolarHBondContact N-O 2.93Å; V134-L171 HydrophobicContact CB-CD1 4.03Å; V134-L171 HydrophobicContact CG1-CD1 4.07Å; V134-L171 CarbonylContact O-C 3.45Å; V134-L171 WeakPolarHBondContact O-CA 3.27Å; V134-V172 PolarHBondContact O-N 3.33Å |
| 135 | I | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.7 | -179.6 | 69 | 172.3 | 0 | 0 | 0 | 111.2 | V61 L62 D63 V64 D71 L75 V172 | V61-I135 HydrophobicContact CG1-CG1 4.43Å; V61-I135 HydrophobicContact CG1-CG2 4.18Å; L62-I135 PolarHBondContact O-N 2.8Å; D63-I135 HydrophobicContact CB-CD1 4.1Å; D63-I135 HydrophobicContact CB-CG1 3.86Å; V64-I135 WeakPolarHBondContact CG2-O 3.38Å; V64-I135 PolarHBondContact N-O 3.29Å; D71-I135 HydrophobicContact CB-CD1 4.04Å; L75-I135 HydrophobicContact CD1-CD1 3.81Å; I135-V172 CarbonylContact C-O 3.59Å; I135-V172 WeakPolarHBondContact CA-O 3.24Å; I135-V172 HydrophobicContact CG2-CB 4.19Å |
| 136 | C | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 84.5 | 173.1 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | V64 V172 I173 D174 | V64-C136 HydrophobicContact CG2-CB 3.62Å; C136-V172 PolarHBondContact N-O 2.85Å; C136-I173 HydrophobicContact CB-CB 4.2Å; C136-I173 HydrophobicContact CB-CD1 4.01Å; C136-I173 HydrophobicContact CB-CG1 3.87Å; C136-I173 VanDerWaalsContact O-CA 3.28Å; C136-I173 WeakPolarHBondContact O-CA 3.42Å; C136-D174 PolarHBondContact O-N 3.35Å; C136-D174 VanDerWaalsContact O-N 3.15Å |
| 137 | L | 97.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | trans | -112.5 | 165.5 | -169.8 | -69.5 | 174.1 | 0 | 0 | 0 | 111.9 | Y45 L49 S140 V172 D174 Y194 | Y45-L137 HydrophobicContact CE2-CD1 3.86Å; Y45-L137 WeakPolarHBondContact OH-CD1 3.4Å; L49-L137 HydrophobicContact CD2-CD1 4.27Å; L137-S140 PolarHBondContact O-OG 3.4Å; L137-V172 HydrophobicContact CD1-CG1 4.49Å; L137-V172 HydrophobicContact CD2-CG1 3.94Å; L137-D174 VanDerWaalsContact C-OD1 3.23Å; L137-D174 VanDerWaalsContact CA-OD1 3.24Å; L137-D174 WeakPolarHBondContact CA-OD1 3.45Å; L137-D174 HydrophobicContact CD2-CB 3.99Å; L137-Y194 HydrophobicContact CB-CE1 4.42Å | ||
| 138 | G | 93 | Very high | 95.7 | Very high | 23 Ų | 23 | 29.5 Ų | 29.5 | 24% | 0.237 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 87.7 | 23.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S140 D174 | G138-S140 PolarHBondContact O-N 3.18Å; G138-D174 VanDerWaalsContact N-CG 3.32Å; G138-D174 PolarHBondContact N-OD1 3.33Å; G138-D174 PolarHBondContact N-OD2 2.81Å |
| 139 | N | 95.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 60.3 | 27.7 | -173.5 | 175.1 | 73.1 | 0 | 0 | 0 | 112.7 | A142 D174 R176 Y178 Y243 Y284 | N139-A142 PolarHBondContact O-N 3Å; N139-A142 WeakPolarHBondContact OD1-CB 3.41Å; N139-D174 WeakPolarHBondContact CA-OD1 3.29Å; N139-D174 VanDerWaalsContact N-CG 3.28Å; N139-D174 PolarHBondContact N-OD1 3.39Å; N139-D174 PolarHBondContact N-OD2 3.39Å; N139-R176 HydrophobicContact CB-CG 4.03Å; N139-R176 PolarHBondContact OD1-N 3.43Å; N139-Y178 PolarHBondContact ND2-OH 2.94Å; N139-Y178 WeakPolarHBondContact OD1-CE2 3.16Å; N139-Y178 PolarHBondContact OD1-OH 3.41Å; N139-Y243 WeakPolarHBondContact ND2-CD1 3.49Å; N139-Y243 WeakPolarHBondContact ND2-CE1 3.31Å; N139-Y284 HydrophobicContact CB-CD1 4.23Å; N139-Y284 HydrophobicContact CB-CE1 3.69Å |
| 140 | S | 96.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 24.6 Ų | 24.6 | 17% | 0.168 | 15% | 0.15 | C | C | . | . | trans | -67 | -41.2 | -173.3 | -64 | 0 | 0 | 0 | 0 | 112.2 | W118 L137 G138 A142 H143 | W118-S140 WeakPolarHBondContact CH2-O 3.37Å; L137-S140 PolarHBondContact O-OG 3.4Å; G138-S140 PolarHBondContact O-N 3.18Å; S140-A142 PolarHBondContact O-N 2.87Å; S140-A142 VanDerWaalsContact O-N 3.12Å; S140-H143 WeakPolarHBondContact O-CB 3.26Å; S140-H143 PolarHBondContact O-CD2 3.16Å; S140-H143 VanDerWaalsContact O-CD2 3.27Å; S140-H143 PolarHBondContact O-N 3.37Å | ||
| 141 | F | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -57.6 | -33 | -178.2 | -171.5 | -95.6 | 0 | 0 | 0 | 113.2 | W118 H143 L144 H154 A157 L158 I161 I173 H246 F251 | W118-F141 AromaticContact CE3-CD2 3.96Å; W118-F141 HydrophobicContact CE3-CD2 3.96Å; W118-F141 HydrophobicContact CE3-CE2 4.22Å; W118-F141 AromaticContact CZ3-CD2 3.95Å; W118-F141 HydrophobicContact CZ3-CD2 3.95Å; F141-H143 PolarHBondContact O-N 3.01Å; F141-L144 HydrophobicContact CE2-CD2 4.37Å; F141-L144 HydrophobicContact CZ-CD2 4.25Å; F141-L144 PolarHBondContact O-N 3.18Å; F141-L144 VanDerWaalsContact O-N 3.1Å; F141-H154 HydrophobicContact CE1-CB 4.33Å; F141-H154 HydrophobicContact CZ-CB 4.16Å; F141-A157 HydrophobicContact CE2-CB 3.86Å; F141-A157 HydrophobicContact CZ-CB 4.27Å; F141-L158 HydrophobicContact CD1-CD2 4.5Å; F141-L158 HydrophobicContact CD2-CD2 3.96Å; F141-L158 HydrophobicContact CE1-CD1 4.23Å; F141-L158 HydrophobicContact CE1-CD2 4.1Å; F141-L158 HydrophobicContact CE1-CG 4.11Å; F141-L158 HydrophobicContact CE2-CD2 3.5Å; F141-L158 HydrophobicContact CE2-CG 3.75Å; F141-L158 HydrophobicContact CG-CD2 4.44Å; F141-L158 HydrophobicContact CZ-CD1 3.99Å; F141-L158 HydrophobicContact CZ-CD2 3.59Å; F141-L158 HydrophobicContact CZ-CG 3.43Å; F141-L158 VanDerWaalsContact CZ-CG 3.43Å; F141-I161 HydrophobicContact CD2-CD1 4.14Å; F141-I161 HydrophobicContact CE2-CD1 4.18Å; F141-I173 HydrophobicContact CB-CD1 3.98Å; F141-I173 HydrophobicContact CB-CG1 4.45Å; F141-I173 HydrophobicContact CD2-CD1 4.11Å; F141-I173 HydrophobicContact CG-CD1 4.03Å; F141-H246 AromaticContact CD1-NE2 3.67Å; F141-H246 AromaticContact CE1-CE1 3.89Å; F141-H246 AromaticContact CE1-NE2 3.65Å; F141-F251 AromaticContact CD1-CE2 3.45Å; F141-F251 HydrophobicContact CD1-CE2 3.45Å; F141-F251 VanDerWaalsContact CD1-CE2 3.45Å; F141-F251 AromaticContact CD1-CZ 3.81Å; F141-F251 HydrophobicContact CD1-CZ 3.81Å; F141-F251 AromaticContact CE1-CE2 3.67Å; F141-F251 HydrophobicContact CE1-CE2 3.67Å; F141-F251 HydrophobicContact CE1-CZ 4.37Å; F141-F251 HydrophobicContact CG-CE2 4.37Å; F141-F251 HydrophobicContact CG-CZ 4.31Å |
| 142 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -63.5 | -12 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N139 S140 L144 Y178 Y243 Y244 | N139-A142 PolarHBondContact O-N 3Å; N139-A142 WeakPolarHBondContact OD1-CB 3.41Å; S140-A142 PolarHBondContact O-N 2.87Å; S140-A142 VanDerWaalsContact O-N 3.12Å; A142-L144 VanDerWaalsContact C-N 3.26Å; A142-L144 PolarHBondContact O-N 3.27Å; A142-Y178 HydrophobicContact CB-CE2 3.93Å; A142-Y178 WeakPolarHBondContact CB-OH 3.39Å; A142-Y243 HydrophobicContact CB-CD1 4Å; A142-Y243 CarbonylContact O-C 3.59Å; A142-Y243 WeakPolarHBondContact O-CA 3.32Å; A142-Y244 PolarHBondContact O-N 2.85Å |
| 143 | H | 95.2 | Very high | 95.2 | Very high | 27 Ų | 27 | 27 Ų | 27 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -68.4 | -22 | 173 | -77.9 | -70.9 | 0 | 0 | 0 | 114.2 | Q21 Y22 S140 F141 P145 Y243 | Q21-H143 PolarHBondContact NE2-ND1 2.8Å; Q21-H143 PolarHBondContact NE2-O 3.38Å; Y22-H143 AromaticContact CZ-CE1 3.99Å; Y22-H143 AromaticContact CZ-NE2 3.95Å; Y22-H143 PolarHBondContact OH-CE1 3.19Å; Y22-H143 PolarHBondContact OH-NE2 3.13Å; S140-H143 WeakPolarHBondContact O-CB 3.26Å; S140-H143 PolarHBondContact O-CD2 3.16Å; S140-H143 VanDerWaalsContact O-CD2 3.27Å; S140-H143 PolarHBondContact O-N 3.37Å; F141-H143 PolarHBondContact O-N 3.01Å; H143-P145 WeakPolarHBondContact O-CD 3.4Å; H143-Y243 AromaticContact CD2-CE1 3.99Å; H143-Y243 AromaticContact CE1-CD1 3.98Å; H143-Y243 AromaticContact CE1-CE1 3.25Å; H143-Y243 WeakPolarHBondContact CE1-CE1 2.91Å; H143-Y243 AromaticContact CE1-CZ 3.76Å; H143-Y243 AromaticContact ND1-CE1 3.78Å; H143-Y243 AromaticContact NE2-CE1 3.37Å; H143-Y243 WeakPolarHBondContact NE2-CE1 3.39Å |
| 144 | L | 95.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -73.5 | 112.9 | 178.5 | -179 | 60.7 | 0 | 0 | 0 | 108.9 | L18 W118 L119 F141 A142 H154 A157 | L18-L144 HydrophobicContact CD1-CD1 4.03Å; L18-L144 HydrophobicContact CD2-CD1 3.73Å; L18-L144 HydrophobicContact CG-CD1 3.96Å; W118-L144 HydrophobicContact CE3-CB 4.46Å; W118-L144 HydrophobicContact CE3-CD2 4.5Å; W118-L144 HydrophobicContact CZ3-CB 4.29Å; L119-L144 HydrophobicContact CD1-CD1 4.46Å; L119-L144 HydrophobicContact CD2-CD1 4.45Å; L119-L144 HydrophobicContact CD2-CD2 4.33Å; F141-L144 HydrophobicContact CE2-CD2 4.37Å; F141-L144 HydrophobicContact CZ-CD2 4.25Å; F141-L144 PolarHBondContact O-N 3.18Å; F141-L144 VanDerWaalsContact O-N 3.1Å; A142-L144 VanDerWaalsContact C-N 3.26Å; A142-L144 PolarHBondContact O-N 3.27Å; L144-H154 PolarHBondContact O-NE2 2.91Å; L144-A157 HydrophobicContact CD2-CB 3.49Å; L144-A157 VanDerWaalsContact CD2-CB 3.49Å |
| 145 | P | 93.8 | Very high | 95.2 | Very high | 43 Ų | 43 | 32.3 Ų | 32.3 | 28% | 0.279 | 18% | 0.183 | S | C | . | . | trans | -71.9 | 164 | 177.6 | 31.6 | -37.4 | 0 | 0 | 0 | 111.6 | H143 C147 | H143-P145 WeakPolarHBondContact O-CD 3.4Å; P145-C147 VanDerWaalsContact CG-SG 3.56Å | ||
| 146 | D | 92.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | trans | -100.4 | 76.7 | 167.2 | -179.7 | 15.1 | 0 | 0 | 0 | 109.1 | K148 G149 D150 Q151 H215 Y244 | D146-K148 VanDerWaalsContact C-N 3.26Å; D146-K148 PolarHBondContact O-N 2.95Å; D146-G149 PolarHBondContact O-N 3.47Å; D146-G149 VanDerWaalsContact OD1-CA 3.29Å; D146-G149 WeakPolarHBondContact OD1-CA 3.34Å; D146-G149 PolarHBondContact OD1-N 3.42Å; D146-G149 WeakPolarHBondContact OD2-CA 3.35Å; D146-D150 PolarHBondContact OD1-N 3.49Å; D146-D150 VanDerWaalsContact OD1-N 3.14Å; D146-Q151 VanDerWaalsContact CG-N 3.33Å; D146-Q151 WeakPolarHBondContact OD1-CA 3.34Å; D146-Q151 PolarHBondContact OD1-N 3.46Å; D146-Q151 WeakPolarHBondContact OD2-CG 3.21Å; D146-Q151 PolarHBondContact OD2-N 3.49Å; D146-H215 PolarHBondContact O-CE1 3.34Å; D146-Y244 HydrophobicContact CB-CD2 3.72Å; D146-Y244 HydrophobicContact CB-CE2 3.37Å | ||
| 147 | C | 88.6 | Confident | 95.1 | Very high | 91 Ų | 91 | 36 Ų | 36 | 62% | 0.615 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -68.6 | -28.4 | -174.9 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | P145 E153 | P145-C147 VanDerWaalsContact CG-SG 3.56Å; C147-E153 PolarHBondContact N-OE2 3Å |
| 148 | K | 88.6 | Confident | 95.2 | Very high | 142 Ų | 142 | 35.8 Ų | 35.8 | 62% | 0.617 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -88.9 | -15.2 | -178.4 | -64.3 | 176.6 | -174 | 172.8 | 0 | 113.3 | D146 D150 S152 | D146-K148 VanDerWaalsContact C-N 3.26Å; D146-K148 PolarHBondContact O-N 2.95Å; K148-D150 VanDerWaalsContact C-N 3.27Å; K148-D150 PolarHBondContact O-N 2.91Å; K148-S152 WeakPolarHBondContact CD-OG 3.36Å |
| 149 | G | 89.4 | Confident | 95.5 | Very high | 40 Ų | 40 | 41 Ų | 41 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 81.6 | -0.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D146 | D146-G149 PolarHBondContact O-N 3.47Å; D146-G149 VanDerWaalsContact OD1-CA 3.29Å; D146-G149 WeakPolarHBondContact OD1-CA 3.34Å; D146-G149 PolarHBondContact OD1-N 3.42Å; D146-G149 WeakPolarHBondContact OD2-CA 3.35Å |
| 150 | D | 93.2 | Very high | 95.6 | Very high | 79 Ų | 79 | 41.5 Ų | 41.5 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -109.6 | -6.5 | -178.5 | 73.3 | -12 | 0 | 0 | 0 | 113.5 | D146 K148 S152 R155 | D146-D150 PolarHBondContact OD1-N 3.49Å; D146-D150 VanDerWaalsContact OD1-N 3.14Å; K148-D150 VanDerWaalsContact C-N 3.27Å; K148-D150 PolarHBondContact O-N 2.91Å; D150-S152 PolarHBondContact O-N 2.91Å; D150-S152 WeakPolarHBondContact OD1-CB 3.5Å; D150-S152 PolarHBondContact OD1-N 2.85Å; D150-S152 PolarHBondContact OD1-OG 2.9Å; D150-S152 WeakPolarHBondContact OD2-CB 3.36Å; D150-S152 PolarHBondContact OD2-OG 2.94Å; D150-R155 VanDerWaalsContact O-CZ 3.23Å; D150-R155 PolarHBondContact O-NH1 2.97Å; D150-R155 VanDerWaalsContact O-NH1 3.08Å; D150-R155 PolarHBondContact O-NH2 3.35Å |
| 151 | Q | 96 | Very high | 95.7 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | trans | 61.7 | 23.4 | -171.5 | -52.8 | 177.7 | 0.2 | 0 | 0 | 114.5 | D146 E153 H154 R155 Y244 | D146-Q151 VanDerWaalsContact CG-N 3.33Å; D146-Q151 WeakPolarHBondContact OD1-CA 3.34Å; D146-Q151 PolarHBondContact OD1-N 3.46Å; D146-Q151 WeakPolarHBondContact OD2-CG 3.21Å; D146-Q151 PolarHBondContact OD2-N 3.49Å; Q151-E153 PolarHBondContact O-N 3.37Å; Q151-H154 HydrophobicContact CB-CB 4.17Å; Q151-H154 WeakPolarHBondContact CB-ND1 3.38Å; Q151-H154 WeakPolarHBondContact CG-ND1 3.3Å; Q151-H154 PolarHBondContact O-N 3.21Å; Q151-R155 PolarHBondContact O-N 2.8Å; Q151-Y244 PolarHBondContact NE2-OH 2.82Å | ||
| 152 | S | 96.9 | Very high | 95.7 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -35.7 | 175.4 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | K148 D150 R155 L156 | K148-S152 WeakPolarHBondContact CD-OG 3.36Å; D150-S152 PolarHBondContact O-N 2.91Å; D150-S152 WeakPolarHBondContact OD1-CB 3.5Å; D150-S152 PolarHBondContact OD1-N 2.85Å; D150-S152 PolarHBondContact OD1-OG 2.9Å; D150-S152 WeakPolarHBondContact OD2-CB 3.36Å; D150-S152 PolarHBondContact OD2-OG 2.94Å; S152-R155 PolarHBondContact O-N 3.27Å; S152-L156 WeakPolarHBondContact O-CB 3.48Å; S152-L156 PolarHBondContact O-N 3.38Å |
| 153 | E | 96.1 | Very high | 95.8 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 176 | -69.9 | 164.6 | 151 | 0 | 0 | 111.5 | L119 C147 Q151 R155 L156 A157 | L119-E153 HydrophobicContact CD2-CB 4.14Å; L119-E153 WeakPolarHBondContact CD2-O 3.33Å; C147-E153 PolarHBondContact N-OE2 3Å; Q151-E153 PolarHBondContact O-N 3.37Å; E153-R155 PolarHBondContact O-N 2.8Å; E153-L156 PolarHBondContact O-N 2.75Å; E153-A157 VanDerWaalsContact O-CB 3.31Å; E153-A157 WeakPolarHBondContact O-CB 3.29Å; E153-A157 PolarHBondContact O-N 3.29Å |
| 154 | H | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 173.2 | -58.9 | 150.9 | 0 | 0 | 0 | 111.6 | F141 L144 Q151 L156 A157 L158 Y244 H246 | F141-H154 HydrophobicContact CE1-CB 4.33Å; F141-H154 HydrophobicContact CZ-CB 4.16Å; L144-H154 PolarHBondContact O-NE2 2.91Å; Q151-H154 HydrophobicContact CB-CB 4.17Å; Q151-H154 WeakPolarHBondContact CB-ND1 3.38Å; Q151-H154 WeakPolarHBondContact CG-ND1 3.3Å; Q151-H154 PolarHBondContact O-N 3.21Å; H154-L156 PolarHBondContact O-N 3.47Å; H154-A157 PolarHBondContact O-N 3.19Å; H154-L158 WeakPolarHBondContact O-CB 3.32Å; H154-L158 WeakPolarHBondContact O-CG 3.43Å; H154-L158 PolarHBondContact O-N 3.04Å; H154-Y244 AromaticContact CE1-CD1 3.58Å; H154-Y244 AromaticContact CE1-CD2 3.69Å; H154-Y244 AromaticContact CE1-CE1 3.83Å; H154-Y244 AromaticContact CE1-CE2 3.93Å; H154-Y244 AromaticContact CE1-CG 3.47Å; H154-Y244 VanDerWaalsContact CE1-CG 3.47Å; H154-Y244 AromaticContact CE1-CZ 3.98Å; H154-Y244 AromaticContact NE2-CG 3.98Å; H154-H246 AromaticContact CE1-CE1 3.67Å; H154-H246 AromaticContact CG-CE1 3.98Å; H154-H246 AromaticContact ND1-CE1 3.66Å; H154-H246 AromaticContact NE2-CE1 4Å |
| 155 | R | 98.6 | Very high | 96.1 | Very high | 111 Ų | 111 | 41.8 Ų | 41.8 | 42% | 0.419 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 178.5 | -74.8 | -171.2 | -75.6 | -84.2 | 4.9 | 112.1 | D150 Q151 S152 E153 K159 L254 | D150-R155 VanDerWaalsContact O-CZ 3.23Å; D150-R155 PolarHBondContact O-NH1 2.97Å; D150-R155 VanDerWaalsContact O-NH1 3.08Å; D150-R155 PolarHBondContact O-NH2 3.35Å; Q151-R155 PolarHBondContact O-N 2.8Å; S152-R155 PolarHBondContact O-N 3.27Å; E153-R155 PolarHBondContact O-N 2.8Å; R155-K159 VanDerWaalsContact O-CB 3.23Å; R155-K159 WeakPolarHBondContact O-CB 3.21Å; R155-K159 PolarHBondContact O-N 2.85Å; R155-L254 HydrophobicContact CG-CD2 3.54Å |
| 156 | L | 98.3 | Very high | 96.3 | Very high | 79 Ų | 79 | 43.8 Ų | 43.8 | 41% | 0.414 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.8 | -50 | 176.3 | 178.2 | 59.4 | 0 | 0 | 0 | 111.3 | L119 S152 E153 H154 L158 K159 N160 | L119-L156 HydrophobicContact CD2-CD2 4.34Å; S152-L156 WeakPolarHBondContact O-CB 3.48Å; S152-L156 PolarHBondContact O-N 3.38Å; E153-L156 PolarHBondContact O-N 2.75Å; H154-L156 PolarHBondContact O-N 3.47Å; L156-L158 PolarHBondContact O-N 3.43Å; L156-K159 PolarHBondContact O-N 3.44Å; L156-N160 PolarHBondContact O-N 3.02Å |
| 157 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W118 L119 F141 L144 E153 H154 K159 N160 I161 | W118-A157 HydrophobicContact CB-CB 3.7Å; L119-A157 HydrophobicContact CD2-CB 4.13Å; F141-A157 HydrophobicContact CE2-CB 3.86Å; F141-A157 HydrophobicContact CZ-CB 4.27Å; L144-A157 HydrophobicContact CD2-CB 3.49Å; L144-A157 VanDerWaalsContact CD2-CB 3.49Å; E153-A157 VanDerWaalsContact O-CB 3.31Å; E153-A157 WeakPolarHBondContact O-CB 3.29Å; E153-A157 PolarHBondContact O-N 3.29Å; H154-A157 PolarHBondContact O-N 3.19Å; A157-K159 PolarHBondContact O-N 3.35Å; A157-N160 PolarHBondContact O-N 3.28Å; A157-I161 VanDerWaalsContact O-CG1 3.26Å; A157-I161 WeakPolarHBondContact O-CG1 3.26Å; A157-I161 PolarHBondContact O-N 3.03Å |
| 158 | L | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 178.3 | -69.8 | 174.1 | 0 | 0 | 0 | 112.4 | F141 H154 L156 N160 I161 A162 I173 F251 L254 L255 A258 | F141-L158 HydrophobicContact CD1-CD2 4.5Å; F141-L158 HydrophobicContact CD2-CD2 3.96Å; F141-L158 HydrophobicContact CE1-CD1 4.23Å; F141-L158 HydrophobicContact CE1-CD2 4.1Å; F141-L158 HydrophobicContact CE1-CG 4.11Å; F141-L158 HydrophobicContact CE2-CD2 3.5Å; F141-L158 HydrophobicContact CE2-CG 3.75Å; F141-L158 HydrophobicContact CG-CD2 4.44Å; F141-L158 HydrophobicContact CZ-CD1 3.99Å; F141-L158 HydrophobicContact CZ-CD2 3.59Å; F141-L158 HydrophobicContact CZ-CG 3.43Å; F141-L158 VanDerWaalsContact CZ-CG 3.43Å; H154-L158 WeakPolarHBondContact O-CB 3.32Å; H154-L158 WeakPolarHBondContact O-CG 3.43Å; H154-L158 PolarHBondContact O-N 3.04Å; L156-L158 PolarHBondContact O-N 3.43Å; L158-N160 VanDerWaalsContact C-N 3.35Å; L158-I161 PolarHBondContact O-N 3.14Å; L158-A162 VanDerWaalsContact O-CB 3.24Å; L158-A162 WeakPolarHBondContact O-CB 3.29Å; L158-A162 PolarHBondContact O-N 3.41Å; L158-I173 HydrophobicContact CD2-CD1 3.82Å; L158-F251 HydrophobicContact CD1-CE2 4.32Å; L158-L254 HydrophobicContact CD1-CB 3.71Å; L158-L255 HydrophobicContact CD1-CD2 4.33Å; L158-L255 HydrophobicContact CD2-CD2 3.74Å; L158-A258 HydrophobicContact CB-CB 3.75Å |
| 159 | K | 98.6 | Very high | 97.5 | Very high | 133 Ų | 133 | 37.3 Ų | 37.3 | 58% | 0.578 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -61.2 | -44.5 | 174.9 | -178.8 | -174.4 | 176.4 | -171.9 | 0 | 111.3 | R155 L156 A157 A162 S163 | R155-K159 VanDerWaalsContact O-CB 3.23Å; R155-K159 WeakPolarHBondContact O-CB 3.21Å; R155-K159 PolarHBondContact O-N 2.85Å; L156-K159 PolarHBondContact O-N 3.44Å; A157-K159 PolarHBondContact O-N 3.35Å; K159-A162 PolarHBondContact O-N 3.25Å; K159-S163 PolarHBondContact O-N 2.96Å |
| 160 | N | 98.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.064 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | 178.1 | -74.2 | -8.1 | 0 | 0 | 0 | 111.9 | W118 L119 L121 D122 L156 A157 L158 S163 | W118-N160 VanDerWaalsContact O-CB 3.29Å; W118-N160 WeakPolarHBondContact O-CB 3.32Å; W118-N160 PolarHBondContact O-ND2 3.24Å; L119-N160 PolarHBondContact O-ND2 2.82Å; L121-N160 HydrophobicContact CB-CB 4.12Å; D122-N160 PolarHBondContact OD1-ND2 3.4Å; L156-N160 PolarHBondContact O-N 3.02Å; A157-N160 PolarHBondContact O-N 3.28Å; L158-N160 VanDerWaalsContact C-N 3.35Å; N160-S163 PolarHBondContact O-N 2.85Å; N160-S163 PolarHBondContact O-OG 3.04Å |
| 161 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 173 | -68.8 | 165.9 | 0 | 0 | 0 | 110.6 | V64 W118 L121 V134 F141 A157 L158 S163 M164 L171 | V64-I161 HydrophobicContact CG2-CD1 4.31Å; V64-I161 HydrophobicContact CG2-CG1 4.29Å; V64-I161 HydrophobicContact CG2-CG2 4.44Å; W118-I161 HydrophobicContact CB-CD1 4.28Å; W118-I161 HydrophobicContact CB-CG1 4.48Å; W118-I161 HydrophobicContact CD2-CD1 4.15Å; W118-I161 HydrophobicContact CG-CD1 3.87Å; W118-I161 HydrophobicContact CG-CG1 4.29Å; L121-I161 HydrophobicContact CD2-CG1 4.04Å; V134-I161 HydrophobicContact CG1-CG2 4Å; F141-I161 HydrophobicContact CD2-CD1 4.14Å; F141-I161 HydrophobicContact CE2-CD1 4.18Å; A157-I161 VanDerWaalsContact O-CG1 3.26Å; A157-I161 WeakPolarHBondContact O-CG1 3.26Å; A157-I161 PolarHBondContact O-N 3.03Å; L158-I161 PolarHBondContact O-N 3.14Å; I161-S163 VanDerWaalsContact C-N 3.27Å; I161-S163 PolarHBondContact O-N 3.04Å; I161-M164 WeakPolarHBondContact O-CB 3.39Å; I161-M164 PolarHBondContact O-N 2.82Å; I161-L171 HydrophobicContact CG2-CD1 3.61Å; I161-L171 HydrophobicContact CG2-CD2 4.28Å |
| 162 | A | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.6 | -24.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L158 K159 M164 V165 A258 F259 K291 | L158-A162 VanDerWaalsContact O-CB 3.24Å; L158-A162 WeakPolarHBondContact O-CB 3.29Å; L158-A162 PolarHBondContact O-N 3.41Å; K159-A162 PolarHBondContact O-N 3.25Å; A162-M164 VanDerWaalsContact C-N 3.3Å; A162-V165 PolarHBondContact O-N 2.76Å; A162-A258 HydrophobicContact CB-CB 4.19Å; A162-F259 HydrophobicContact CB-CD1 4.31Å; A162-F259 HydrophobicContact CB-CD2 4.05Å; A162-F259 HydrophobicContact CB-CE1 4Å; A162-F259 HydrophobicContact CB-CE2 3.69Å; A162-F259 HydrophobicContact CB-CG 4.34Å; A162-F259 HydrophobicContact CB-CZ 3.68Å; A162-K291 PolarHBondContact O-NZ 3.26Å |
| 163 | S | 98.2 | Very high | 98.4 | Very high | 55 Ų | 55 | 29.2 Ų | 29.2 | 39% | 0.385 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -70.3 | -28.1 | 175.9 | 80.3 | 0 | 0 | 0 | 0 | 112.1 | K159 N160 I161 V165 | K159-S163 PolarHBondContact O-N 2.96Å; N160-S163 PolarHBondContact O-N 2.85Å; N160-S163 PolarHBondContact O-OG 3.04Å; I161-S163 VanDerWaalsContact C-N 3.27Å; I161-S163 PolarHBondContact O-N 3.04Å; S163-V165 VanDerWaalsContact C-N 3.26Å; S163-V165 PolarHBondContact O-N 2.8Å |
| 164 | M | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.2 | 175.8 | -60.3 | -64.3 | 138.7 | 0 | 0 | 113.1 | L62 L121 V125 A127 G130 F131 V134 I161 A162 R166 | L62-M164 HydrophobicContact CD2-CB 3.68Å; L62-M164 HydrophobicContact CD2-CG 3.67Å; L62-M164 HydrophobicContact CD2-SD 4.23Å; L121-M164 HydrophobicContact CD2-CG 3.77Å; L121-M164 HydrophobicContact CG-CE 4.13Å; L121-M164 HydrophobicContact CG-CG 4.21Å; L121-M164 VanDerWaalsContact O-CE 3.29Å; L121-M164 WeakPolarHBondContact O-CE 3.24Å; V125-M164 HydrophobicContact CB-SD 4.23Å; V125-M164 HydrophobicContact CG1-SD 4.16Å; A127-M164 HydrophobicContact CB-CE 4.16Å; A127-M164 HydrophobicContact CB-SD 3.67Å; G130-M164 CarbonylContact C-O 3.46Å; G130-M164 WeakPolarHBondContact CA-O 3.47Å; F131-M164 HydrophobicContact CD2-CB 4.33Å; F131-M164 PolarHBondContact N-O 2.58Å; V134-M164 HydrophobicContact CG2-CB 3.86Å; I161-M164 WeakPolarHBondContact O-CB 3.39Å; I161-M164 PolarHBondContact O-N 2.82Å; A162-M164 VanDerWaalsContact C-N 3.3Å; M164-R166 PolarHBondContact O-N 2.8Å |
| 165 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 122.8 | 178 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | V134 A162 S163 G169 L171 F259 K291 | V134-V165 HydrophobicContact CB-CG2 3.95Å; V134-V165 HydrophobicContact CG2-CB 4.36Å; V134-V165 HydrophobicContact CG2-CG2 3.55Å; A162-V165 PolarHBondContact O-N 2.76Å; S163-V165 VanDerWaalsContact C-N 3.26Å; S163-V165 PolarHBondContact O-N 2.8Å; V165-G169 VanDerWaalsContact CG1-C 3.41Å; V165-L171 HydrophobicContact CG2-CB 3.98Å; V165-F259 HydrophobicContact CB-CE1 4.34Å; V165-F259 HydrophobicContact CG2-CE1 4.36Å; V165-F259 HydrophobicContact CG2-CZ 4.19Å; V165-K291 HydrophobicContact CB-CD 4.16Å; V165-K291 HydrophobicContact CG1-CB 3.98Å; V165-K291 HydrophobicContact CG1-CD 4.24Å; V165-K291 WeakPolarHBondContact O-CD 2.82Å; V165-K291 PolarHBondContact O-NZ 3.07Å |
| 166 | R | 98.3 | Very high | 98.4 | Very high | 84 Ų | 84 | 23.4 Ų | 23.4 | 32% | 0.317 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 159.4 | 174.4 | 75.6 | 169.7 | 175 | 82.8 | -4 | 111.7 | D129 F131 D132 M164 G168 G169 | D129-R166 WeakPolarHBondContact O-CB 3.36Å; F131-R166 WeakPolarHBondContact O-CG 3.45Å; F131-R166 PolarHBondContact O-N 3.41Å; D132-R166 IonicContact OD1-CZ 3.18Å; D132-R166 IonicContact OD1-NE 2.66Å; D132-R166 PolarHBondContact OD1-NE 3.15Å; D132-R166 IonicContact OD1-NH2 2.81Å; D132-R166 PolarHBondContact OD1-NH2 2.84Å; M164-R166 PolarHBondContact O-N 2.8Å; R166-G168 PolarHBondContact O-N 3Å; R166-G169 WeakPolarHBondContact O-CA 3.47Å; R166-G169 PolarHBondContact O-N 3.33Å |
| 167 | P | 97.9 | Very high | 98.3 | Very high | 71 Ų | 71 | 20.1 Ų | 20.1 | 46% | 0.461 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 130.9 | 167.5 | -24.3 | 34.6 | 0 | 0 | 0 | 111.8 | G169 D293 | P167-G169 PolarHBondContact O-N 3.15Å; P167-D293 WeakPolarHBondContact CB-OD1 3.14Å |
| 168 | G | 98 | Very high | 98.2 | Very high | 29 Ų | 29 | 20.1 Ų | 20.1 | 30% | 0.299 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.8 | -5.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R166 K290 K291 | R166-G168 PolarHBondContact O-N 3Å; G168-K290 WeakPolarHBondContact O-CE 3.39Å; G168-K291 WeakPolarHBondContact CA-O 3.47Å; G168-K291 PolarHBondContact N-O 3.15Å |
| 169 | G | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D132 V165 R166 P167 K290 K291 | D132-G169 CarbonylContact O-C 3.59Å; D132-G169 WeakPolarHBondContact O-CA 3.35Å; V165-G169 VanDerWaalsContact CG1-C 3.41Å; R166-G169 WeakPolarHBondContact O-CA 3.47Å; R166-G169 PolarHBondContact O-N 3.33Å; P167-G169 PolarHBondContact O-N 3.15Å; G169-K290 WeakPolarHBondContact O-CA 3.29Å; G169-K291 PolarHBondContact O-N 3.17Å |
| 170 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.4 | -175.7 | -62 | 178.5 | 0 | 0 | 0 | 113 | L52 H56 D132 A133 V134 V288 L289 K290 | L52-L170 HydrophobicContact CD1-CD1 4.38Å; L52-L170 HydrophobicContact CG-CD1 4.18Å; H56-L170 HydrophobicContact CB-CD1 3.87Å; H56-L170 HydrophobicContact CB-CG 4.48Å; D132-L170 PolarHBondContact O-N 3.06Å; A133-L170 CarbonylContact C-O 3.51Å; A133-L170 VanDerWaalsContact CA-O 3.26Å; A133-L170 WeakPolarHBondContact CA-O 3.46Å; A133-L170 HydrophobicContact CB-CB 4.23Å; V134-L170 PolarHBondContact N-O 2.93Å; L170-V288 HydrophobicContact CD2-CG1 4.46Å; L170-L289 CarbonylContact C-O 3.53Å; L170-L289 VanDerWaalsContact CA-O 3.29Å; L170-L289 WeakPolarHBondContact CA-O 3.41Å; L170-K290 HydrophobicContact CD2-CB 3.75Å; L170-K290 HydrophobicContact CD2-CD 4.44Å; L170-K290 HydrophobicContact CD2-CG 3.98Å |
| 171 | L | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.7 | 155.1 | 173.2 | 63.7 | 0 | 0 | 0 | 108.4 | V134 I161 V165 I173 L255 F259 V288 L289 | V134-L171 HydrophobicContact CB-CD1 4.03Å; V134-L171 HydrophobicContact CG1-CD1 4.07Å; V134-L171 CarbonylContact O-C 3.45Å; V134-L171 WeakPolarHBondContact O-CA 3.27Å; I161-L171 HydrophobicContact CG2-CD1 3.61Å; I161-L171 HydrophobicContact CG2-CD2 4.28Å; V165-L171 HydrophobicContact CG2-CB 3.98Å; L171-I173 HydrophobicContact CD1-CB 4.31Å; L171-I173 HydrophobicContact CD2-CG2 3.99Å; L171-I173 HydrophobicContact CG-CB 4.3Å; L171-I173 HydrophobicContact CG-CG2 3.98Å; L171-L255 HydrophobicContact CD2-CD2 4.19Å; L171-F259 HydrophobicContact CB-CE2 4.37Å; L171-F259 HydrophobicContact CB-CZ 3.83Å; L171-F259 HydrophobicContact CD2-CE2 3.69Å; L171-F259 HydrophobicContact CD2-CZ 3.86Å; L171-V288 WeakPolarHBondContact O-CA 3.29Å; L171-L289 HydrophobicContact CB-CB 4.3Å; L171-L289 HydrophobicContact CD2-CD1 4.32Å; L171-L289 HydrophobicContact CG-CD1 4.5Å; L171-L289 PolarHBondContact N-O 3.03Å; L171-L289 PolarHBondContact O-N 2.69Å |
| 172 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 110.3 | 171.5 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | W48 L52 V134 I135 C136 L137 I286 H287 V288 | W48-V172 HydrophobicContact CH2-CG1 3.61Å; W48-V172 HydrophobicContact CZ3-CG1 4.25Å; L52-V172 HydrophobicContact CD2-CG2 3.87Å; V134-V172 PolarHBondContact O-N 3.33Å; I135-V172 CarbonylContact C-O 3.59Å; I135-V172 WeakPolarHBondContact CA-O 3.24Å; I135-V172 HydrophobicContact CG2-CB 4.19Å; C136-V172 PolarHBondContact N-O 2.85Å; L137-V172 HydrophobicContact CD1-CG1 4.49Å; L137-V172 HydrophobicContact CD2-CG1 3.94Å; V172-I286 HydrophobicContact CG1-CG2 4.03Å; V172-H287 WeakPolarHBondContact CA-O 3.24Å; V172-V288 HydrophobicContact CG1-CG2 4.49Å |
| 173 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.4 | -176 | -177.3 | 164.4 | 0 | 0 | 0 | 110.4 | C136 F141 L158 L171 F251 L255 H287 L289 | C136-I173 HydrophobicContact CB-CB 4.2Å; C136-I173 HydrophobicContact CB-CD1 4.01Å; C136-I173 HydrophobicContact CB-CG1 3.87Å; C136-I173 VanDerWaalsContact O-CA 3.28Å; C136-I173 WeakPolarHBondContact O-CA 3.42Å; F141-I173 HydrophobicContact CB-CD1 3.98Å; F141-I173 HydrophobicContact CB-CG1 4.45Å; F141-I173 HydrophobicContact CD2-CD1 4.11Å; F141-I173 HydrophobicContact CG-CD1 4.03Å; L158-I173 HydrophobicContact CD2-CD1 3.82Å; L171-I173 HydrophobicContact CD1-CB 4.31Å; L171-I173 HydrophobicContact CD2-CG2 3.99Å; L171-I173 HydrophobicContact CG-CB 4.3Å; L171-I173 HydrophobicContact CG-CG2 3.98Å; I173-F251 HydrophobicContact CD1-CZ 3.96Å; I173-F251 HydrophobicContact CG1-CE1 4.36Å; I173-F251 HydrophobicContact CG1-CZ 4.16Å; I173-L255 HydrophobicContact CD1-CD2 4.42Å; I173-L255 HydrophobicContact CG2-CD1 3.95Å; I173-L255 HydrophobicContact CG2-CD2 3.63Å; I173-L255 HydrophobicContact CG2-CG 4.47Å; I173-H287 HydrophobicContact CG2-CB 4.02Å; I173-H287 PolarHBondContact N-O 2.9Å; I173-H287 WeakPolarHBondContact O-CA 3.38Å; I173-H287 WeakPolarHBondContact O-CB 3.4Å; I173-H287 PolarHBondContact O-N 2.92Å; I173-L289 HydrophobicContact CG2-CD1 4.28Å |
| 174 | D | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 165.5 | -178.3 | 80.6 | -27.9 | 0 | 0 | 0 | 113.2 | C136 L137 G138 N139 Y194 Y284 F285 I286 | C136-D174 PolarHBondContact O-N 3.35Å; C136-D174 VanDerWaalsContact O-N 3.15Å; L137-D174 VanDerWaalsContact C-OD1 3.23Å; L137-D174 VanDerWaalsContact CA-OD1 3.24Å; L137-D174 WeakPolarHBondContact CA-OD1 3.45Å; L137-D174 HydrophobicContact CD2-CB 3.99Å; G138-D174 VanDerWaalsContact N-CG 3.32Å; G138-D174 PolarHBondContact N-OD1 3.33Å; G138-D174 PolarHBondContact N-OD2 2.81Å; N139-D174 WeakPolarHBondContact CA-OD1 3.29Å; N139-D174 VanDerWaalsContact N-CG 3.28Å; N139-D174 PolarHBondContact N-OD1 3.39Å; N139-D174 PolarHBondContact N-OD2 3.39Å; D174-Y194 WeakPolarHBondContact OD2-CE2 3.31Å; D174-Y194 PolarHBondContact OD2-OH 2.84Å; D174-Y284 WeakPolarHBondContact OD2-CD1 3.24Å; D174-F285 CarbonylContact C-O 3.58Å; D174-F285 WeakPolarHBondContact CA-O 3.35Å; D174-F285 WeakPolarHBondContact CB-O 3.36Å; D174-I286 HydrophobicContact CB-CG1 4Å |
| 175 | H | 98 | Very high | 97 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.1 | 162.6 | 65.6 | 97 | 0 | 0 | 0 | 109.7 | Y178 H246 F251 Y284 F285 H287 | H175-Y178 HydrophobicContact CB-CE2 4.49Å; H175-H246 PolarHBondContact CE1-O 2.83Å; H175-H246 VanDerWaalsContact CE1-O 3.27Å; H175-H246 PolarHBondContact ND1-O 3.3Å; H175-F251 AromaticContact CD2-CD1 3.16Å; H175-F251 WeakPolarHBondContact CD2-CD1 3.14Å; H175-F251 AromaticContact CD2-CE1 3.59Å; H175-F251 AromaticContact CD2-CG 3.82Å; H175-F251 AromaticContact NE2-CD1 3.56Å; H175-F251 AromaticContact NE2-CG 3.99Å; H175-Y284 WeakPolarHBondContact O-CA 3.32Å; H175-F285 AromaticContact CE1-CD2 3.7Å; H175-F285 PolarHBondContact N-O 3.49Å; H175-F285 PolarHBondContact O-N 3.41Å; H175-H287 AromaticContact CD2-CD2 3.87Å; H175-H287 AromaticContact CD2-NE2 3.45Å; H175-H287 PolarHBondContact CD2-NE2 3.38Å; H175-H287 AromaticContact NE2-NE2 3.15Å; H175-H287 PolarHBondContact NE2-NE2 3.04Å; H175-H287 VanDerWaalsContact NE2-NE2 3.15Å |
| 176 | R | 95.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 155.7 | 170 | -87.9 | -175.4 | 169.9 | -146.1 | -2.5 | 110.6 | N139 Y178 I181 Y284 | N139-R176 HydrophobicContact CB-CG 4.03Å; N139-R176 PolarHBondContact OD1-N 3.43Å; R176-Y178 HydrophobicContact CB-CD2 4.36Å; R176-Y178 HydrophobicContact CB-CE1 4.43Å; R176-Y178 HydrophobicContact CB-CE2 3.97Å; R176-Y178 WeakPolarHBondContact O-CD2 3.36Å; R176-Y178 PolarHBondContact O-N 3.02Å; R176-I181 HydrophobicContact CB-CD1 4.31Å; R176-Y284 HydrophobicContact CG-CD1 3.99Å; R176-Y284 HydrophobicContact CG-CE1 3.59Å; R176-Y284 HydrophobicContact CG-CE2 4.48Å; R176-Y284 PolarHBondContact NE-OH 3.27Å |
| 177 | N | 96.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | trans | -70.6 | 78.8 | 172.3 | -173.6 | -10.9 | 0 | 0 | 0 | 110.9 | D179 Y180 I181 P282 C283 F285 | N177-D179 VanDerWaalsContact C-N 3.29Å; N177-Y180 PolarHBondContact O-N 3.37Å; N177-Y180 PolarHBondContact OD1-N 3.48Å; N177-I181 WeakPolarHBondContact O-CG1 3.07Å; N177-I181 PolarHBondContact O-N 3.02Å; N177-P282 WeakPolarHBondContact CB-O 3.31Å; N177-P282 PolarHBondContact ND2-O 3.49Å; N177-C283 PolarHBondContact N-O 3.38Å; N177-F285 HydrophobicContact CB-CD2 4.25Å; N177-F285 HydrophobicContact CB-CE2 3.88Å; N177-F285 VanDerWaalsContact CG-CE2 3.49Å; N177-F285 WeakPolarHBondContact OD1-CE2 3.17Å | ||
| 178 | Y | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.6 | -23.7 | 178 | -68.1 | -72.7 | 0 | 0 | 0 | 112.4 | N139 A142 H175 R176 Y180 I181 L182 V217 Y243 P245 H246 | N139-Y178 PolarHBondContact ND2-OH 2.94Å; N139-Y178 WeakPolarHBondContact OD1-CE2 3.16Å; N139-Y178 PolarHBondContact OD1-OH 3.41Å; A142-Y178 HydrophobicContact CB-CE2 3.93Å; A142-Y178 WeakPolarHBondContact CB-OH 3.39Å; H175-Y178 HydrophobicContact CB-CE2 4.49Å; R176-Y178 HydrophobicContact CB-CD2 4.36Å; R176-Y178 HydrophobicContact CB-CE1 4.43Å; R176-Y178 HydrophobicContact CB-CE2 3.97Å; R176-Y178 WeakPolarHBondContact O-CD2 3.36Å; R176-Y178 PolarHBondContact O-N 3.02Å; Y178-Y180 VanDerWaalsContact C-N 3.27Å; Y178-Y180 PolarHBondContact O-N 2.78Å; Y178-I181 HydrophobicContact CD1-CB 4.39Å; Y178-I181 HydrophobicContact CD1-CD1 3.67Å; Y178-I181 HydrophobicContact CE1-CD1 3.95Å; Y178-I181 HydrophobicContact CG-CD1 4.43Å; Y178-I181 PolarHBondContact O-N 2.84Å; Y178-L182 VanDerWaalsContact O-CB 3.3Å; Y178-L182 WeakPolarHBondContact O-CB 3.32Å; Y178-L182 WeakPolarHBondContact O-CG 3.46Å; Y178-L182 PolarHBondContact O-N 2.63Å; Y178-V217 HydrophobicContact CD1-CB 4.47Å; Y178-V217 HydrophobicContact CD1-CG2 4.22Å; Y178-V217 HydrophobicContact CE1-CB 4.17Å; Y178-V217 HydrophobicContact CE1-CG1 4.33Å; Y178-V217 HydrophobicContact CE1-CG2 4.41Å; Y178-Y243 WeakPolarHBondContact OH-CB 3.37Å; Y178-P245 HydrophobicContact CD1-CB 3.73Å; Y178-P245 HydrophobicContact CE1-CB 4.42Å; Y178-P245 VanDerWaalsContact CG-CA 3.44Å; Y178-P245 HydrophobicContact CG-CB 3.86Å; Y178-H246 HydrophobicContact CD2-CB 4.44Å; Y178-H246 WeakPolarHBondContact CD2-O 3.36Å |
| 179 | D | 96.8 | Very high | 92 | Very high | 60 Ų | 60 | 28.9 Ų | 28.9 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.1 | -46.7 | 170.6 | -57.9 | -91.5 | 0 | 0 | 0 | 110.5 | N177 S183 C247 L248 | N177-D179 VanDerWaalsContact C-N 3.29Å; D179-S183 WeakPolarHBondContact O-CB 3.45Å; D179-S183 PolarHBondContact O-N 2.78Å; D179-S183 VanDerWaalsContact O-N 3.16Å; D179-S183 PolarHBondContact O-OG 2.98Å; D179-C247 WeakPolarHBondContact OD1-CB 3.49Å; D179-L248 WeakPolarHBondContact OD2-CB 3.4Å; D179-L248 PolarHBondContact OD2-N 3.36Å |
| 180 | Y | 94.9 | Very high | 90 | Very high | 54 Ų | 54 | 31.2 Ų | 31.2 | 21% | 0.212 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 173.5 | -176.4 | -85.2 | 0 | 0 | 0 | 112.3 | N177 Y178 L182 S183 T184 P188 P189 I281 | N177-Y180 PolarHBondContact O-N 3.37Å; N177-Y180 PolarHBondContact OD1-N 3.48Å; Y178-Y180 VanDerWaalsContact C-N 3.27Å; Y178-Y180 PolarHBondContact O-N 2.78Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-L182 PolarHBondContact O-N 3.26Å; Y180-S183 PolarHBondContact O-N 3.11Å; Y180-S183 PolarHBondContact O-OG 3.44Å; Y180-T184 HydrophobicContact CD1-CG2 4.22Å; Y180-T184 HydrophobicContact CD2-CG2 4.28Å; Y180-T184 HydrophobicContact CE1-CG2 3.79Å; Y180-T184 WeakPolarHBondContact CE1-OG1 3.43Å; Y180-T184 HydrophobicContact CE2-CG2 3.91Å; Y180-T184 HydrophobicContact CG-CG2 4.45Å; Y180-T184 PolarHBondContact O-N 3.11Å; Y180-T184 PolarHBondContact O-OG1 2.78Å; Y180-P188 HydrophobicContact CD1-CB 4Å; Y180-P188 HydrophobicContact CD1-CG 3.67Å; Y180-P188 HydrophobicContact CE1-CB 4.16Å; Y180-P188 HydrophobicContact CE1-CG 4.28Å; Y180-P188 HydrophobicContact CG-CG 4.22Å; Y180-P189 VanDerWaalsContact OH-CD 3.29Å; Y180-P189 WeakPolarHBondContact OH-CD 3.48Å; Y180-I281 HydrophobicContact CD2-CD1 4.02Å; Y180-I281 HydrophobicContact CD2-CG2 3.67Å; Y180-I281 HydrophobicContact CE2-CD1 3.89Å; Y180-I281 HydrophobicContact CE2-CG2 4.27Å; Y180-I281 HydrophobicContact CG-CG2 4.21Å |
| 181 | I | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | -177.3 | -66.1 | 166.4 | 0 | 0 | 0 | 111.3 | R176 N177 Y178 S183 T184 G185 C186 P188 T205 V217 | R176-I181 HydrophobicContact CB-CD1 4.31Å; N177-I181 WeakPolarHBondContact O-CG1 3.07Å; N177-I181 PolarHBondContact O-N 3.02Å; Y178-I181 HydrophobicContact CD1-CB 4.39Å; Y178-I181 HydrophobicContact CD1-CD1 3.67Å; Y178-I181 HydrophobicContact CE1-CD1 3.95Å; Y178-I181 HydrophobicContact CG-CD1 4.43Å; Y178-I181 PolarHBondContact O-N 2.84Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-T184 PolarHBondContact O-N 3.1Å; I181-G185 VanDerWaalsContact O-CA 3.26Å; I181-G185 WeakPolarHBondContact O-CA 3.37Å; I181-G185 PolarHBondContact O-N 3.12Å; I181-C186 WeakPolarHBondContact CA-O 3.16Å; I181-P188 HydrophobicContact CG1-CG 4.49Å; I181-T205 HydrophobicContact CG2-CG2 3.86Å; I181-V217 HydrophobicContact CG2-CG1 4.09Å; I181-V217 HydrophobicContact CG2-CG2 4.18Å |
| 182 | L | 96 | Very high | 87.1 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -34.7 | 179.8 | -66.9 | 178.7 | 0 | 0 | 0 | 111.7 | Y178 Y180 V207 A214 V217 P245 | Y178-L182 VanDerWaalsContact O-CB 3.3Å; Y178-L182 WeakPolarHBondContact O-CB 3.32Å; Y178-L182 WeakPolarHBondContact O-CG 3.46Å; Y178-L182 PolarHBondContact O-N 2.63Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-L182 PolarHBondContact O-N 3.26Å; L182-V207 HydrophobicContact CD2-CG1 3.72Å; L182-A214 HydrophobicContact CD1-CB 3.71Å; L182-A214 HydrophobicContact CD2-CB 3.58Å; L182-A214 HydrophobicContact CG-CB 4.3Å; L182-V217 HydrophobicContact CD2-CG2 4.12Å; L182-P245 HydrophobicContact CD1-CB 4.04Å; L182-P245 HydrophobicContact CD1-CG 4.44Å; L182-P245 HydrophobicContact CD2-CB 3.97Å; L182-P245 HydrophobicContact CD2-CG 4.24Å; L182-P245 HydrophobicContact CG-CB 4.18Å |
| 183 | S | 95.4 | Very high | 86.1 | Confident | 93 Ų | 93 | 40.3 Ų | 40.3 | 65% | 0.65 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -73 | -30.6 | 178.5 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | D179 Y180 I181 | D179-S183 WeakPolarHBondContact O-CB 3.45Å; D179-S183 PolarHBondContact O-N 2.78Å; D179-S183 VanDerWaalsContact O-N 3.16Å; D179-S183 PolarHBondContact O-OG 2.98Å; Y180-S183 PolarHBondContact O-N 3.11Å; Y180-S183 PolarHBondContact O-OG 3.44Å; I181-S183 VanDerWaalsContact C-N 3.33Å |
| 184 | T | 94.2 | Very high | 84.6 | Confident | 62 Ų | 62 | 40.3 Ų | 40.3 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -108.6 | -18.3 | -173.7 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | Y180 I181 C186 | Y180-T184 HydrophobicContact CD1-CG2 4.22Å; Y180-T184 HydrophobicContact CD2-CG2 4.28Å; Y180-T184 HydrophobicContact CE1-CG2 3.79Å; Y180-T184 WeakPolarHBondContact CE1-OG1 3.43Å; Y180-T184 HydrophobicContact CE2-CG2 3.91Å; Y180-T184 HydrophobicContact CG-CG2 4.45Å; Y180-T184 PolarHBondContact O-N 3.11Å; Y180-T184 PolarHBondContact O-OG1 2.78Å; I181-T184 PolarHBondContact O-N 3.1Å; T184-C186 PolarHBondContact O-N 3.03Å; T184-C186 PolarHBondContact OG1-N 3.44Å; T184-C186 PolarHBondContact OG1-O 2.98Å; T184-C186 VanDerWaalsContact OG1-O 3.11Å |
| 185 | G | 92.3 | Very high | 83.3 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 71.8 | 7.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I181 T205 | I181-G185 VanDerWaalsContact O-CA 3.26Å; I181-G185 WeakPolarHBondContact O-CA 3.37Å; I181-G185 PolarHBondContact O-N 3.12Å; G185-T205 WeakPolarHBondContact O-CB 3.46Å; G185-T205 WeakPolarHBondContact O-CG2 3.46Å |
| 186 | C | 88.2 | Confident | 81.8 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 49% | 0.486 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -131.5 | 143.5 | -176.4 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | I181 T184 | I181-C186 WeakPolarHBondContact CA-O 3.16Å; T184-C186 PolarHBondContact O-N 3.03Å; T184-C186 PolarHBondContact OG1-N 3.44Å; T184-C186 PolarHBondContact OG1-O 2.98Å; T184-C186 VanDerWaalsContact OG1-O 3.11Å |
| 187 | A | 77.7 | Confident | 80.4 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | trans | -54.2 | 140.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | T205 | A187-T205 PolarHBondContact N-OG1 2.9Å; A187-T205 VanDerWaalsContact N-OG1 3.11Å | ||
| 188 | P | 69.4 | Low | 79 | Confident | 18 Ų | 18 | 53 Ų | 53 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | trans | -52.3 | 137.8 | -178.3 | -25.2 | 32 | 0 | 0 | 0 | 112.3 | Y180 I181 G190 | Y180-P188 HydrophobicContact CD1-CB 4Å; Y180-P188 HydrophobicContact CD1-CG 3.67Å; Y180-P188 HydrophobicContact CE1-CB 4.16Å; Y180-P188 HydrophobicContact CE1-CG 4.28Å; Y180-P188 HydrophobicContact CG-CG 4.22Å; I181-P188 HydrophobicContact CG1-CG 4.49Å; P188-G190 PolarHBondContact O-N 3.07Å | ||
| 189 | P | 54.3 | Low | 77.8 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 75% | 0.747 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -68.9 | 94.5 | 172.8 | 28.4 | -32.3 | 0 | 0 | 0 | 108.6 | Y180 | Y180-P189 VanDerWaalsContact OH-CD 3.29Å; Y180-P189 WeakPolarHBondContact OH-CD 3.48Å |
| 190 | G | 55.8 | Low | 76.5 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -172.8 | 150.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P188 | P188-G190 PolarHBondContact O-N 3.07Š|
| 191 | K | 65.1 | Low | 75.3 | Confident | 148 Ų | 148 | 57.4 Ų | 57.4 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | trans | -71.7 | 142.4 | 173.2 | -66 | -169.2 | 176.9 | -165.8 | 0 | 108.8 | I193 | K191-I193 PolarHBondContact O-N 2.87Š| ||
| 192 | N | 72.6 | Confident | 74.5 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | trans | -56.9 | 127.2 | 173 | -176.3 | -31.9 | 0 | 0 | 0 | 109.1 | Y34 Y194 Y195 Y284 | Y34-N192 PolarHBondContact OH-ND2 2.91Å; N192-Y194 VanDerWaalsContact C-N 3.3Å; N192-Y194 PolarHBondContact O-N 2.77Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.44Å; N192-Y194 PolarHBondContact OD1-N 3.15Å; N192-Y195 WeakPolarHBondContact CB-O 3.45Å; N192-Y195 PolarHBondContact OD1-N 3.36Å; N192-Y284 PolarHBondContact ND2-OH 3.2Å | ||
| 193 | I | 76.1 | Confident | 73.8 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -75.4 | -21.6 | -174.3 | 67.5 | 176.5 | 0 | 0 | 0 | 112.8 | T42 K191 D270 F271 C283 Y284 I286 | T42-I193 WeakPolarHBondContact CG2-O 3.26Å; T42-I193 PolarHBondContact OG1-O 3.27Å; K191-I193 PolarHBondContact O-N 2.87Å; I193-D270 HydrophobicContact CD1-CB 4.25Å; I193-D270 HydrophobicContact CG2-CB 4Å; I193-F271 HydrophobicContact CB-CE2 3.97Å; I193-F271 HydrophobicContact CD1-CD2 4.29Å; I193-F271 HydrophobicContact CD1-CE1 4.45Å; I193-F271 HydrophobicContact CD1-CE2 3.65Å; I193-F271 HydrophobicContact CD1-CZ 3.71Å; I193-F271 HydrophobicContact CG1-CE2 3.88Å; I193-F271 HydrophobicContact CG1-CZ 4.06Å; I193-C283 HydrophobicContact CG2-CB 4.5Å; I193-Y284 HydrophobicContact CD1-CD2 3.7Å; I193-Y284 HydrophobicContact CD1-CG 3.92Å; I193-Y284 HydrophobicContact CG1-CD2 3.66Å; I193-Y284 HydrophobicContact CG1-CE2 4.13Å; I193-Y284 HydrophobicContact CG1-CG 4.27Å; I193-Y284 HydrophobicContact CG2-CD2 4.48Å; I193-I286 HydrophobicContact CD1-CD1 4.29Å |
| 194 | Y | 69.3 | Low | 73.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -86.1 | -35.5 | 178.1 | -61.5 | -72.9 | 0 | 0 | 0 | 111.6 | Y45 L137 D174 N192 F271 Y284 | Y45-Y194 HydrophobicContact CD2-CD1 4.16Å; Y45-Y194 HydrophobicContact CD2-CE1 4.06Å; Y45-Y194 HydrophobicContact CE2-CD1 4.21Å; Y45-Y194 AromaticContact CE2-CE1 3.96Å; Y45-Y194 HydrophobicContact CE2-CE1 3.96Å; Y45-Y194 HydrophobicContact CG-CD1 4.28Å; L137-Y194 HydrophobicContact CB-CE1 4.42Å; D174-Y194 WeakPolarHBondContact OD2-CE2 3.31Å; D174-Y194 PolarHBondContact OD2-OH 2.84Å; N192-Y194 VanDerWaalsContact C-N 3.3Å; N192-Y194 PolarHBondContact O-N 2.77Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.44Å; N192-Y194 PolarHBondContact OD1-N 3.15Å; Y194-F271 HydrophobicContact CD1-CZ 4.15Å; Y194-F271 HydrophobicContact CE1-CE1 4.14Å; Y194-F271 AromaticContact CE1-CZ 3.67Å; Y194-F271 HydrophobicContact CE1-CZ 3.67Å; Y194-Y284 HydrophobicContact CD2-CD1 4.42Å; Y194-Y284 HydrophobicContact CD2-CE1 4.09Å; Y194-Y284 HydrophobicContact CD2-CE2 4.35Å; Y194-Y284 AromaticContact CE2-CD1 3.63Å; Y194-Y284 HydrophobicContact CE2-CD1 3.63Å; Y194-Y284 HydrophobicContact CE2-CD2 4.2Å; Y194-Y284 AromaticContact CE2-CE1 3.71Å; Y194-Y284 HydrophobicContact CE2-CE1 3.71Å; Y194-Y284 HydrophobicContact CE2-CE2 4.33Å; Y194-Y284 AromaticContact CE2-CG 3.88Å; Y194-Y284 HydrophobicContact CE2-CG 3.88Å |
| 195 | Y | 69.3 | Low | 73.4 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -133.2 | 126.3 | -171.4 | -51.1 | -69.3 | 0 | 0 | 0 | 111.8 | I35 V70 N192 S197 | I35-Y195 HydrophobicContact CB-CD1 3.53Å; I35-Y195 HydrophobicContact CB-CE1 3.77Å; I35-Y195 HydrophobicContact CB-CG 3.98Å; I35-Y195 HydrophobicContact CG2-CD1 3.77Å; I35-Y195 HydrophobicContact CG2-CD2 4.18Å; I35-Y195 HydrophobicContact CG2-CE1 3.6Å; I35-Y195 HydrophobicContact CG2-CE2 4.03Å; I35-Y195 HydrophobicContact CG2-CG 4.05Å; V70-Y195 HydrophobicContact CG2-CE1 4.31Å; N192-Y195 WeakPolarHBondContact CB-O 3.45Å; N192-Y195 PolarHBondContact OD1-N 3.36Å; Y195-S197 PolarHBondContact O-N 3.45Å |
| 196 | K | 66.7 | Low | 73.5 | Confident | 121 Ų | 121 | 58.4 Ų | 58.4 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | trans | -98.6 | 73.8 | 173 | -167.3 | -176.2 | 175.3 | -172.1 | 0 | 109.4 | ||||
| 197 | S | 65.9 | Low | 73.8 | Confident | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | trans | -89.5 | 119.6 | 174.3 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | L33 Y34 Y195 L199 | L33-S197 PolarHBondContact O-OG 2.98Å; Y34-S197 WeakPolarHBondContact O-CB 3.19Å; Y34-S197 PolarHBondContact O-OG 3.47Å; Y195-S197 PolarHBondContact O-N 3.45Å; S197-L199 WeakPolarHBondContact OG-CB 3.5Å; S197-L199 PolarHBondContact OG-N 2.67Å | ||
| 198 | D | 68 | Low | 74.7 | Confident | 128 Ų | 128 | 60.7 Ų | 60.7 | 68% | 0.684 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -81.4 | -0.5 | 169.4 | -62.3 | -40.6 | 0 | 0 | 0 | 111.9 | ||
| 199 | L | 70.8 | Confident | 75.9 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | trans | -93.4 | -18.1 | -176.5 | -60 | 177.3 | 0 | 0 | 0 | 113.5 | L33 S197 K201 V223 Q224 P226 | L33-L199 HydrophobicContact CB-CD1 4.33Å; L33-L199 HydrophobicContact CD2-CD1 4.32Å; S197-L199 WeakPolarHBondContact OG-CB 3.5Å; S197-L199 PolarHBondContact OG-N 2.67Å; L199-K201 PolarHBondContact O-N 3.08Å; L199-V223 HydrophobicContact CB-CG1 4.15Å; L199-Q224 WeakPolarHBondContact O-CB 3.44Å; L199-Q224 PolarHBondContact O-N 3.36Å; L199-P226 HydrophobicContact CD2-CG 4.21Å | ||
| 200 | T | 68.9 | Low | 77.8 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 24% | 0.239 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 119 | 176.3 | -58 | 0 | 0 | 0 | 0 | 109.1 | Y34 I203 | Y34-T200 HydrophobicContact CD2-CG2 4.45Å; Y34-T200 VanDerWaalsContact CD2-OG1 3.31Å; Y34-T200 WeakPolarHBondContact CD2-OG1 3.48Å; Y34-T200 HydrophobicContact CE2-CG2 4.15Å; Y34-T200 WeakPolarHBondContact CE2-OG1 3.31Å; T200-I203 HydrophobicContact CG2-CD1 4.28Å; T200-I203 HydrophobicContact CG2-CG1 4.12Å |
| 201 | K | 70.1 | Confident | 79.6 | Confident | 122 Ų | 122 | 65.8 Ų | 65.8 | 53% | 0.53 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -43.3 | -177.1 | -72.9 | -117 | -179.3 | 172.9 | 0 | 113.1 | L199 T222 Q224 F236 | L199-K201 PolarHBondContact O-N 3.08Å; K201-T222 PolarHBondContact N-O 2.99Å; K201-Q224 HydrophobicContact CG-CB 4.23Å; K201-F236 HydrophobicContact CD-CE1 3.75Å; K201-F236 HydrophobicContact CD-CZ 4.44Å; K201-F236 HydrophobicContact CG-CE1 3.95Å |
| 202 | D | 78.1 | Confident | 80.9 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 145.8 | -168.8 | -172.1 | 39.5 | 0 | 0 | 0 | 111 | T222 | D202-T222 PolarHBondContact O-N 2.79Å |
| 203 | I | 82.7 | Confident | 81.8 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 105.7 | 174.8 | -59 | 176.8 | 0 | 0 | 0 | 107.9 | T200 L219 D220 Y221 | T200-I203 HydrophobicContact CG2-CD1 4.28Å; T200-I203 HydrophobicContact CG2-CG1 4.12Å; I203-L219 HydrophobicContact CG2-CB 4.11Å; I203-L219 HydrophobicContact CG2-CD2 4.1Å; I203-L219 HydrophobicContact CG2-CG 4.47Å; I203-D220 WeakPolarHBondContact CA-O 3.15Å; I203-Y221 HydrophobicContact CD1-CD1 3.9Å; I203-Y221 HydrophobicContact CD1-CE1 3.74Å; I203-Y221 HydrophobicContact CG1-CD1 3.84Å; I203-Y221 HydrophobicContact CG1-CE1 4.13Å; I203-Y221 HydrophobicContact CG2-CE1 4.41Å |
| 204 | T | 88.4 | Confident | 82.7 | Confident | 69 Ų | 69 | 71.1 Ų | 71.1 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.7 | 172.1 | -53.5 | 0 | 0 | 0 | 0 | 109.3 | L219 D220 | T204-L219 WeakPolarHBondContact O-CA 3.5Å; T204-D220 PolarHBondContact N-O 2.85Å; T204-D220 PolarHBondContact O-N 3.19Å |
| 205 | T | 91.9 | Very high | 83.8 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 15% | 0.153 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.4 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | I181 G185 A187 V207 V217 L219 | I181-T205 HydrophobicContact CG2-CG2 3.86Å; G185-T205 WeakPolarHBondContact O-CB 3.46Å; G185-T205 WeakPolarHBondContact O-CG2 3.46Å; A187-T205 PolarHBondContact N-OG1 2.9Å; A187-T205 VanDerWaalsContact N-OG1 3.11Å; T205-V207 HydrophobicContact CG2-CG2 4.33Å; T205-V217 HydrophobicContact CG2-CG1 4.11Å; T205-L219 HydrophobicContact CG2-CD2 3.86Å |
| 206 | S | 94.1 | Very high | 85.1 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 21% | 0.21 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.5 | 172.5 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | Y6 V217 T218 | Y6-S206 WeakPolarHBondContact OH-CB 3.18Å; S206-V217 CarbonylContact O-C 3.59Å; S206-V217 WeakPolarHBondContact O-CA 3.43Å; S206-T218 PolarHBondContact N-O 3.02Å; S206-T218 PolarHBondContact O-N 3.5Å |
| 207 | V | 95.5 | Very high | 86.5 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 39% | 0.394 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.8 | 178.4 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | L182 T205 V217 | L182-V207 HydrophobicContact CD2-CG1 3.72Å; T205-V207 HydrophobicContact CG2-CG2 4.33Å; V207-V217 HydrophobicContact CG1-CG2 4.47Å; V207-V217 HydrophobicContact CG2-CG2 4.3Å |
| 208 | L | 95.7 | Very high | 87.8 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 40% | 0.398 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118 | 171.9 | 177.7 | 64.3 | 0 | 0 | 0 | 109.5 | V210 H215 M216 | L208-V210 HydrophobicContact CG-CG2 4.4Å; L208-H215 PolarHBondContact O-N 2.82Å; L208-M216 HydrophobicContact CB-CB 4.24Å; L208-M216 HydrophobicContact CB-CE 4.43Å; L208-M216 HydrophobicContact CD2-CB 4.44Å; L208-M216 HydrophobicContact CD2-CE 3.81Å; L208-M216 PolarHBondContact N-O 3.18Å; L208-M216 PolarHBondContact O-N 3.47Å |
| 209 | A | 94.9 | Very high | 88.8 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 50% | 0.496 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | K213 | A209-K213 CarbonylContact C-O 3.52Å; A209-K213 VanDerWaalsContact CA-O 3.31Å; A209-K213 WeakPolarHBondContact CA-O 3.39Å |
| 210 | V | 94 | Very high | 89.6 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.3 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | L208 N212 K213 H215 | L208-V210 HydrophobicContact CG-CG2 4.4Å; V210-N212 VanDerWaalsContact C-N 3.27Å; V210-N212 PolarHBondContact O-N 3.27Å; V210-K213 PolarHBondContact N-O 3.19Å; V210-K213 WeakPolarHBondContact O-CB 3.41Å; V210-K213 PolarHBondContact O-N 3.4Å; V210-H215 HydrophobicContact CB-CB 4.26Å; V210-H215 HydrophobicContact CG2-CB 3.8Å |
| 211 | N | 94.1 | Very high | 90.3 | Very high | 161 Ų | 161 | 59.5 Ų | 59.5 | 86% | 0.861 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 46.2 | -177.2 | -59.9 | -25.8 | 0 | 0 | 0 | 113.1 | K213 | N211-K213 PolarHBondContact O-N 3.18Š|
| 212 | N | 91.6 | Very high | 90.9 | Very high | 167 Ų | 167 | 54.4 Ų | 54.4 | 89% | 0.893 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 12.9 | -178.9 | -155.7 | 43.6 | 0 | 0 | 0 | 115.4 | V210 | V210-N212 VanDerWaalsContact C-N 3.27Å; V210-N212 PolarHBondContact O-N 3.27Å |
| 213 | K | 92.1 | Very high | 91 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.8 | 171.2 | -174.3 | 179.9 | 176.2 | -173 | 0 | 109.4 | A209 V210 N211 H215 | A209-K213 CarbonylContact C-O 3.52Å; A209-K213 VanDerWaalsContact CA-O 3.31Å; A209-K213 WeakPolarHBondContact CA-O 3.39Å; V210-K213 PolarHBondContact N-O 3.19Å; V210-K213 WeakPolarHBondContact O-CB 3.41Å; V210-K213 PolarHBondContact O-N 3.4Å; N211-K213 PolarHBondContact O-N 3.18Å; K213-H215 PolarHBondContact O-N 3.23Å |
| 214 | A | 94.3 | Very high | 90.9 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 124.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L182 P245 | L182-A214 HydrophobicContact CD1-CB 3.71Å; L182-A214 HydrophobicContact CD2-CB 3.58Å; L182-A214 HydrophobicContact CG-CB 4.3Å; A214-P245 HydrophobicContact CB-CG 3.8Å |
| 215 | H | 93.4 | Very high | 90.5 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -37.1 | -173.6 | -173 | 66.8 | 0 | 0 | 0 | 111.8 | D146 L208 V210 K213 Y244 | D146-H215 PolarHBondContact O-CE1 3.34Å; L208-H215 PolarHBondContact O-N 2.82Å; V210-H215 HydrophobicContact CB-CB 4.26Å; V210-H215 HydrophobicContact CG2-CB 3.8Å; K213-H215 PolarHBondContact O-N 3.23Å; H215-Y244 WeakPolarHBondContact O-CD2 3.5Å |
| 216 | M | 96.1 | Very high | 89.6 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 141.7 | -177.7 | -176 | 175.1 | 66.8 | 0 | 0 | 110.8 | T8 L208 Y243 | T8-M216 HydrophobicContact CG2-CE 3.57Å; T8-M216 HydrophobicContact CG2-SD 4.39Å; L208-M216 HydrophobicContact CB-CB 4.24Å; L208-M216 HydrophobicContact CB-CE 4.43Å; L208-M216 HydrophobicContact CD2-CB 4.44Å; L208-M216 HydrophobicContact CD2-CE 3.81Å; L208-M216 PolarHBondContact N-O 3.18Å; L208-M216 PolarHBondContact O-N 3.47Å; M216-Y243 CarbonylContact C-O 3.6Å; M216-Y243 WeakPolarHBondContact CA-O 3.19Å |
| 217 | V | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.3 | 166.2 | 170.4 | 0 | 0 | 0 | 0 | 107.7 | Y178 I181 L182 T205 S206 V207 L219 S242 Y243 P245 | Y178-V217 HydrophobicContact CD1-CB 4.47Å; Y178-V217 HydrophobicContact CD1-CG2 4.22Å; Y178-V217 HydrophobicContact CE1-CB 4.17Å; Y178-V217 HydrophobicContact CE1-CG1 4.33Å; Y178-V217 HydrophobicContact CE1-CG2 4.41Å; I181-V217 HydrophobicContact CG2-CG1 4.09Å; I181-V217 HydrophobicContact CG2-CG2 4.18Å; L182-V217 HydrophobicContact CD2-CG2 4.12Å; T205-V217 HydrophobicContact CG2-CG1 4.11Å; S206-V217 CarbonylContact O-C 3.59Å; S206-V217 WeakPolarHBondContact O-CA 3.43Å; V207-V217 HydrophobicContact CG1-CG2 4.47Å; V207-V217 HydrophobicContact CG2-CG2 4.3Å; V217-L219 HydrophobicContact CG1-CD2 3.92Å; V217-L219 HydrophobicContact CG1-CG 4.28Å; V217-S242 CarbonylContact O-C 3.57Å; V217-S242 WeakPolarHBondContact O-CA 3.01Å; V217-Y243 PolarHBondContact N-O 3.28Å; V217-Y243 PolarHBondContact O-N 3.12Å; V217-P245 HydrophobicContact CG2-CB 3.74Å; V217-P245 HydrophobicContact CG2-CG 4.25Å |
| 218 | T | 93.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.3 | 176.1 | -61 | 0 | 0 | 0 | 0 | 108.9 | S206 R240 L241 S242 | S206-T218 PolarHBondContact N-O 3.02Å; S206-T218 PolarHBondContact O-N 3.5Å; T218-R240 VanDerWaalsContact CG2-CD 3.42Å; T218-R240 HydrophobicContact CG2-CG 3.37Å; T218-L241 WeakPolarHBondContact CA-O 3.48Å; T218-S242 PolarHBondContact OG1-OG 3.05Å |
| 219 | L | 89.4 | Confident | 86 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.2 | 177.2 | -58.1 | -177.2 | 0 | 0 | 0 | 109.3 | I203 T204 T205 V217 Y221 R240 L241 Y243 | I203-L219 HydrophobicContact CG2-CB 4.11Å; I203-L219 HydrophobicContact CG2-CD2 4.1Å; I203-L219 HydrophobicContact CG2-CG 4.47Å; T204-L219 WeakPolarHBondContact O-CA 3.5Å; T205-L219 HydrophobicContact CG2-CD2 3.86Å; V217-L219 HydrophobicContact CG1-CD2 3.92Å; V217-L219 HydrophobicContact CG1-CG 4.28Å; L219-Y221 HydrophobicContact CB-CD2 4.26Å; L219-Y221 HydrophobicContact CB-CE2 3.51Å; L219-Y221 WeakPolarHBondContact CD1-OH 3.25Å; L219-Y221 WeakPolarHBondContact O-CD2 3.21Å; L219-R240 WeakPolarHBondContact O-CA 3.29Å; L219-L241 PolarHBondContact N-O 2.85Å; L219-L241 PolarHBondContact O-N 3.44Å; L219-Y243 HydrophobicContact CB-CE2 4.12Å; L219-Y243 HydrophobicContact CD1-CD2 4.17Å; L219-Y243 HydrophobicContact CD1-CE2 3.75Å; L219-Y243 HydrophobicContact CG-CD2 4.14Å; L219-Y243 HydrophobicContact CG-CE2 3.91Å |
| 220 | D | 87.3 | Confident | 84.5 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110 | 171.8 | -70 | -68.6 | 0 | 0 | 0 | 108.9 | I203 T204 R240 | I203-D220 WeakPolarHBondContact CA-O 3.15Å; T204-D220 PolarHBondContact N-O 2.85Å; T204-D220 PolarHBondContact O-N 3.19Å; D220-R240 VanDerWaalsContact CG-NH2 3.34Å; D220-R240 IonicContact OD1-CZ 3.31Å; D220-R240 IonicContact OD1-NE 2.71Å; D220-R240 PolarHBondContact OD1-NE 3.14Å; D220-R240 IonicContact OD1-NH2 2.83Å; D220-R240 PolarHBondContact OD1-NH2 2.91Å; D220-R240 VanDerWaalsContact OD1-NH2 3.14Å; D220-R240 IonicContact OD2-CZ 3.36Å; D220-R240 IonicContact OD2-NE 3.51Å; D220-R240 IonicContact OD2-NH2 3.14Å; D220-R240 PolarHBondContact OD2-NH2 3.18Å |
| 221 | Y | 83.3 | Confident | 83.4 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.02 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126.1 | -179 | -62.8 | -92.6 | 0 | 0 | 0 | 109.7 | Y34 I203 L219 K238 F239 L241 Y243 | Y34-Y221 HydrophobicContact CD2-CD1 4.13Å; Y34-Y221 AromaticContact CE2-CD1 3.58Å; Y34-Y221 HydrophobicContact CE2-CD1 3.58Å; Y34-Y221 AromaticContact CE2-CE1 3.75Å; Y34-Y221 HydrophobicContact CE2-CE1 3.75Å; Y34-Y221 AromaticContact CZ-CE1 3.83Å; I203-Y221 HydrophobicContact CD1-CD1 3.9Å; I203-Y221 HydrophobicContact CD1-CE1 3.74Å; I203-Y221 HydrophobicContact CG1-CD1 3.84Å; I203-Y221 HydrophobicContact CG1-CE1 4.13Å; I203-Y221 HydrophobicContact CG2-CE1 4.41Å; L219-Y221 HydrophobicContact CB-CD2 4.26Å; L219-Y221 HydrophobicContact CB-CE2 3.51Å; L219-Y221 WeakPolarHBondContact CD1-OH 3.25Å; L219-Y221 WeakPolarHBondContact O-CD2 3.21Å; Y221-K238 VanDerWaalsContact O-CA 3.24Å; Y221-K238 WeakPolarHBondContact O-CA 3.4Å; Y221-F239 HydrophobicContact CD1-CZ 4.29Å; Y221-F239 AromaticContact CD2-CD2 3.96Å; Y221-F239 HydrophobicContact CD2-CD2 3.96Å; Y221-F239 AromaticContact CD2-CE2 3.43Å; Y221-F239 HydrophobicContact CD2-CE2 3.43Å; Y221-F239 VanDerWaalsContact CD2-CE2 3.43Å; Y221-F239 AromaticContact CD2-CZ 3.83Å; Y221-F239 HydrophobicContact CD2-CZ 3.83Å; Y221-F239 HydrophobicContact CE2-CE2 4.09Å; Y221-F239 HydrophobicContact CG-CD2 4.46Å; Y221-F239 HydrophobicContact CG-CE1 4.22Å; Y221-F239 AromaticContact CG-CE2 3.76Å; Y221-F239 HydrophobicContact CG-CE2 3.76Å; Y221-F239 AromaticContact CG-CZ 3.62Å; Y221-F239 HydrophobicContact CG-CZ 3.62Å; Y221-F239 PolarHBondContact N-O 3.4Å; Y221-F239 PolarHBondContact O-N 3.44Å; Y221-L241 HydrophobicContact CE2-CB 4.13Å; Y221-L241 HydrophobicContact CE2-CD1 4.05Å; Y221-L241 HydrophobicContact CE2-CG 4.28Å; Y221-Y243 PolarHBondContact OH-OH 3.08Å |
| 222 | T | 82.8 | Confident | 82 | Confident | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 110 | 168.8 | -56.7 | 0 | 0 | 0 | 0 | 109.2 | K201 D202 F236 K238 | K201-T222 PolarHBondContact N-O 2.99Å; D202-T222 PolarHBondContact O-N 2.79Å; T222-F236 HydrophobicContact CG2-CB 4.1Å; T222-F236 HydrophobicContact CG2-CD1 3.89Å; T222-F236 HydrophobicContact CG2-CG 4.27Å; T222-K238 HydrophobicContact CG2-CG 4.24Å; T222-K238 WeakPolarHBondContact OG1-CE 3.37Å |
| 223 | V | 80.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.5 | -178.6 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | V30 L33 Y34 L199 V225 F236 S237 F239 | V30-V223 HydrophobicContact CG1-CB 3.84Å; V30-V223 HydrophobicContact CG1-CG1 4.15Å; V30-V223 HydrophobicContact CG1-CG2 3.96Å; L33-V223 HydrophobicContact CB-CG1 4Å; Y34-V223 HydrophobicContact CD2-CG2 4.16Å; L199-V223 HydrophobicContact CB-CG1 4.15Å; V223-V225 PolarHBondContact O-N 2.92Å; V223-F236 WeakPolarHBondContact O-CA 3.38Å; V223-S237 PolarHBondContact N-O 3.31Å; V223-S237 PolarHBondContact O-N 2.9Å; V223-F239 HydrophobicContact CG2-CE1 3.83Å |
| 224 | Q | 80.6 | Confident | 79.8 | Confident | 43 Ų | 43 | 50 Ų | 50 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.1 | 172.7 | -168.3 | -179 | -43.8 | 0 | 0 | 109.7 | L199 K201 P234 F236 | L199-Q224 WeakPolarHBondContact O-CB 3.44Å; L199-Q224 PolarHBondContact O-N 3.36Å; K201-Q224 HydrophobicContact CG-CB 4.23Å; Q224-P234 VanDerWaalsContact CD-CB 3.45Å; Q224-P234 HydrophobicContact CG-CB 3.51Å; Q224-P234 HydrophobicContact CG-CG 4.37Å; Q224-F236 HydrophobicContact CB-CD1 4.42Å; Q224-F236 HydrophobicContact CB-CE1 4.29Å; Q224-F236 HydrophobicContact CG-CE1 4.3Å |
| 225 | V | 78.9 | Confident | 79.1 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 110.1 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | L33 V223 G227 S228 G235 | L33-V225 HydrophobicContact CD1-CB 4.29Å; L33-V225 HydrophobicContact CD1-CG1 3.95Å; L33-V225 HydrophobicContact CD1-CG2 3.81Å; V223-V225 PolarHBondContact O-N 2.92Å; V225-G227 PolarHBondContact O-N 3.29Å; V225-S228 WeakPolarHBondContact CB-OG 3.32Å; V225-S228 PolarHBondContact O-OG 2.95Å; V225-G235 PolarHBondContact N-O 3.24Å; V225-G235 PolarHBondContact O-N 3.45Å |
| 226 | P | 73.4 | Confident | 78.5 | Confident | 81 Ų | 81 | 51.5 Ų | 51.5 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 137.3 | 179.1 | -23.6 | 34.1 | 0 | 0 | 0 | 112 | L199 S228 | L199-P226 HydrophobicContact CD2-CG 4.21Å; P226-S228 VanDerWaalsContact C-N 3.28Å; P226-S228 PolarHBondContact O-N 3.44Å |
| 227 | G | 70.5 | Confident | 77.7 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 69% | 0.691 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 10.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | V225 | V225-G227 PolarHBondContact O-N 3.29Š|
| 228 | S | 69.7 | Low | 77.1 | Confident | 65 Ų | 65 | 58 Ų | 58 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | trans | -94.4 | -5.3 | -179.2 | 63.9 | 0 | 0 | 0 | 0 | 115 | V225 P226 G235 | V225-S228 WeakPolarHBondContact CB-OG 3.32Å; V225-S228 PolarHBondContact O-OG 2.95Å; P226-S228 VanDerWaalsContact C-N 3.28Å; P226-S228 PolarHBondContact O-N 3.44Å; S228-G235 WeakPolarHBondContact OG-CA 3.49Å; S228-G235 PolarHBondContact OG-N 2.86Å | ||
| 229 | G | 69.6 | Low | 76.5 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -82.1 | 150.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D231 G232 S233 | G229-D231 PolarHBondContact O-N 2.75Å; G229-D231 VanDerWaalsContact O-N 3.17Å; G229-G232 PolarHBondContact O-N 3.17Å; G229-S233 WeakPolarHBondContact CA-O 3.41Å; G229-S233 PolarHBondContact N-O 3.26Å |
| 230 | R | 62.9 | Low | 76.3 | Confident | 249 Ų | 249 | 61 Ų | 61 | 94% | 0.94 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23 | -175.1 | -68.8 | -179 | 178.7 | -178.5 | -1.1 | 114 | ||
| 231 | D | 71.3 | Confident | 76.4 | Confident | 152 Ų | 152 | 59.7 Ų | 59.7 | 81% | 0.813 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 20.4 | -175 | -53.3 | -27.1 | 0 | 0 | 0 | 112.8 | G229 S233 | G229-D231 PolarHBondContact O-N 2.75Å; G229-D231 VanDerWaalsContact O-N 3.17Å; D231-S233 PolarHBondContact O-N 2.97Å |
| 232 | G | 64.1 | Low | 76.9 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 68% | 0.68 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 77.4 | -1.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | G229 | G229-G232 PolarHBondContact O-N 3.17Š|
| 233 | S | 69.6 | Low | 77.5 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 151.7 | 168.2 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | G229 D231 G235 | G229-S233 WeakPolarHBondContact CA-O 3.41Å; G229-S233 PolarHBondContact N-O 3.26Å; D231-S233 PolarHBondContact O-N 2.97Å; S233-G235 PolarHBondContact O-N 3.24Å |
| 234 | P | 69.3 | Low | 78.3 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 132.4 | 172.4 | 26.3 | -31.7 | 0 | 0 | 0 | 111.1 | Q224 | Q224-P234 VanDerWaalsContact CD-CB 3.45Å; Q224-P234 HydrophobicContact CG-CB 3.51Å; Q224-P234 HydrophobicContact CG-CG 4.37Å |
| 235 | G | 78.9 | Confident | 79.1 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 172.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V225 S228 S233 | V225-G235 PolarHBondContact N-O 3.24Å; V225-G235 PolarHBondContact O-N 3.45Å; S228-G235 WeakPolarHBondContact OG-CA 3.49Å; S228-G235 PolarHBondContact OG-N 2.86Å; S233-G235 PolarHBondContact O-N 3.24Å |
| 236 | F | 80.2 | Confident | 80 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.6 | 178.2 | -60.5 | -81.6 | 0 | 0 | 0 | 109.3 | K201 T222 V223 Q224 | K201-F236 HydrophobicContact CD-CE1 3.75Å; K201-F236 HydrophobicContact CD-CZ 4.44Å; K201-F236 HydrophobicContact CG-CE1 3.95Å; T222-F236 HydrophobicContact CG2-CB 4.1Å; T222-F236 HydrophobicContact CG2-CD1 3.89Å; T222-F236 HydrophobicContact CG2-CG 4.27Å; V223-F236 WeakPolarHBondContact O-CA 3.38Å; Q224-F236 HydrophobicContact CB-CD1 4.42Å; Q224-F236 HydrophobicContact CB-CE1 4.29Å; Q224-F236 HydrophobicContact CG-CE1 4.3Å |
| 237 | S | 80.9 | Confident | 81.2 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 145 | 162.1 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | E26 V30 V223 | E26-S237 PolarHBondContact OE1-OG 3.36Å; V30-S237 WeakPolarHBondContact CG2-OG 3.44Å; V223-S237 PolarHBondContact N-O 3.31Å; V223-S237 PolarHBondContact O-N 2.9Å |
| 238 | K | 81.4 | Confident | 82.5 | Confident | 151 Ų | 151 | 53.6 Ų | 53.6 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.6 | 175.3 | -65.7 | -170.8 | 178.6 | -169.7 | 0 | 109.3 | Y221 T222 | Y221-K238 VanDerWaalsContact O-CA 3.24Å; Y221-K238 WeakPolarHBondContact O-CA 3.4Å; T222-K238 HydrophobicContact CG2-CG 4.24Å; T222-K238 WeakPolarHBondContact OG1-CE 3.37Å |
| 239 | F | 81.9 | Confident | 83.9 | Confident | 10 Ų | 10 | 55 Ų | 55 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154.7 | 169.2 | 67.1 | -86.1 | 0 | 0 | 0 | 109.7 | A27 V30 Y34 Y221 V223 L241 | A27-F239 HydrophobicContact CB-CD2 4.25Å; V30-F239 HydrophobicContact CB-CD1 4.01Å; V30-F239 HydrophobicContact CB-CE1 4.18Å; V30-F239 HydrophobicContact CG1-CD1 3.7Å; V30-F239 HydrophobicContact CG1-CE1 3.6Å; Y34-F239 HydrophobicContact CD2-CZ 4.3Å; Y34-F239 HydrophobicContact CG-CZ 4.18Å; Y221-F239 HydrophobicContact CD1-CZ 4.29Å; Y221-F239 AromaticContact CD2-CD2 3.96Å; Y221-F239 HydrophobicContact CD2-CD2 3.96Å; Y221-F239 AromaticContact CD2-CE2 3.43Å; Y221-F239 HydrophobicContact CD2-CE2 3.43Å; Y221-F239 VanDerWaalsContact CD2-CE2 3.43Å; Y221-F239 AromaticContact CD2-CZ 3.83Å; Y221-F239 HydrophobicContact CD2-CZ 3.83Å; Y221-F239 HydrophobicContact CE2-CE2 4.09Å; Y221-F239 HydrophobicContact CG-CD2 4.46Å; Y221-F239 HydrophobicContact CG-CE1 4.22Å; Y221-F239 AromaticContact CG-CE2 3.76Å; Y221-F239 HydrophobicContact CG-CE2 3.76Å; Y221-F239 AromaticContact CG-CZ 3.62Å; Y221-F239 HydrophobicContact CG-CZ 3.62Å; Y221-F239 PolarHBondContact N-O 3.4Å; Y221-F239 PolarHBondContact O-N 3.44Å; V223-F239 HydrophobicContact CG2-CE1 3.83Å; F239-L241 HydrophobicContact CD2-CD1 4.18Å; F239-L241 HydrophobicContact CD2-CG 4.01Å; F239-L241 HydrophobicContact CE2-CD1 3.71Å; F239-L241 HydrophobicContact CE2-CG 4.04Å |
| 240 | R | 86.1 | Confident | 85.2 | Confident | 54 Ų | 54 | 56 Ų | 56 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.3 | -174.6 | 174.5 | 173.2 | -77.3 | -159.6 | -10.3 | 109.3 | R7 T218 L219 D220 | R7-R240 PolarHBondContact O-NH1 2.89Å; T218-R240 VanDerWaalsContact CG2-CD 3.42Å; T218-R240 HydrophobicContact CG2-CG 3.37Å; L219-R240 WeakPolarHBondContact O-CA 3.29Å; D220-R240 VanDerWaalsContact CG-NH2 3.34Å; D220-R240 IonicContact OD1-CZ 3.31Å; D220-R240 IonicContact OD1-NE 2.71Å; D220-R240 PolarHBondContact OD1-NE 3.14Å; D220-R240 IonicContact OD1-NH2 2.83Å; D220-R240 PolarHBondContact OD1-NH2 2.91Å; D220-R240 VanDerWaalsContact OD1-NH2 3.14Å; D220-R240 IonicContact OD2-CZ 3.36Å; D220-R240 IonicContact OD2-NE 3.51Å; D220-R240 IonicContact OD2-NH2 3.14Å; D220-R240 PolarHBondContact OD2-NH2 3.18Å |
| 241 | L | 88.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.6 | 170.6 | -62.4 | 172.8 | 0 | 0 | 0 | 109.6 | Q21 Y22 T218 L219 Y221 F239 Y243 | Q21-L241 HydrophobicContact CB-CD2 4.25Å; Y22-L241 HydrophobicContact CE1-CD1 4.41Å; Y22-L241 HydrophobicContact CE1-CD2 3.96Å; T218-L241 WeakPolarHBondContact CA-O 3.48Å; L219-L241 PolarHBondContact N-O 2.85Å; L219-L241 PolarHBondContact O-N 3.44Å; Y221-L241 HydrophobicContact CE2-CB 4.13Å; Y221-L241 HydrophobicContact CE2-CD1 4.05Å; Y221-L241 HydrophobicContact CE2-CG 4.28Å; F239-L241 HydrophobicContact CD2-CD1 4.18Å; F239-L241 HydrophobicContact CD2-CG 4.01Å; F239-L241 HydrophobicContact CE2-CD1 3.71Å; F239-L241 HydrophobicContact CE2-CG 4.04Å; L241-Y243 HydrophobicContact CB-CE2 3.66Å; L241-Y243 VanDerWaalsContact CB-OH 3.29Å; L241-Y243 WeakPolarHBondContact CB-OH 3.05Å; L241-Y243 WeakPolarHBondContact CD1-OH 3.42Å |
| 242 | S | 92.8 | Very high | 88.2 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.1 | -180 | -71.1 | 0 | 0 | 0 | 0 | 110.5 | T8 Q21 V217 T218 | T8-S242 PolarHBondContact O-OG 3.33Å; Q21-S242 PolarHBondContact NE2-O 2.82Å; Q21-S242 PolarHBondContact OE1-O 2.83Å; V217-S242 CarbonylContact O-C 3.57Å; V217-S242 WeakPolarHBondContact O-CA 3.01Å; T218-S242 PolarHBondContact OG1-OG 3.05Å |
| 243 | Y | 95.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.1 | -171.1 | -54.6 | -85.2 | 0 | 0 | 0 | 111.2 | N139 A142 H143 Y178 M216 V217 L219 Y221 L241 | N139-Y243 WeakPolarHBondContact ND2-CD1 3.49Å; N139-Y243 WeakPolarHBondContact ND2-CE1 3.31Å; A142-Y243 HydrophobicContact CB-CD1 4Å; A142-Y243 CarbonylContact O-C 3.59Å; A142-Y243 WeakPolarHBondContact O-CA 3.32Å; H143-Y243 AromaticContact CD2-CE1 3.99Å; H143-Y243 AromaticContact CE1-CD1 3.98Å; H143-Y243 AromaticContact CE1-CE1 3.25Å; H143-Y243 WeakPolarHBondContact CE1-CE1 2.91Å; H143-Y243 AromaticContact CE1-CZ 3.76Å; H143-Y243 AromaticContact ND1-CE1 3.78Å; H143-Y243 AromaticContact NE2-CE1 3.37Å; H143-Y243 WeakPolarHBondContact NE2-CE1 3.39Å; Y178-Y243 WeakPolarHBondContact OH-CB 3.37Å; M216-Y243 CarbonylContact C-O 3.6Å; M216-Y243 WeakPolarHBondContact CA-O 3.19Å; V217-Y243 PolarHBondContact N-O 3.28Å; V217-Y243 PolarHBondContact O-N 3.12Å; L219-Y243 HydrophobicContact CB-CE2 4.12Å; L219-Y243 HydrophobicContact CD1-CD2 4.17Å; L219-Y243 HydrophobicContact CD1-CE2 3.75Å; L219-Y243 HydrophobicContact CG-CD2 4.14Å; L219-Y243 HydrophobicContact CG-CE2 3.91Å; Y221-Y243 PolarHBondContact OH-OH 3.08Å; L241-Y243 HydrophobicContact CB-CE2 3.66Å; L241-Y243 VanDerWaalsContact CB-OH 3.29Å; L241-Y243 WeakPolarHBondContact CB-OH 3.05Å; L241-Y243 WeakPolarHBondContact CD1-OH 3.42Å |
| 244 | Y | 97.6 | Very high | 91.2 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | trans | -77.4 | 125.7 | 163.9 | -168.1 | -92.2 | 0 | 0 | 0 | 109.9 | A142 D146 Q151 H154 H215 H246 | A142-Y244 PolarHBondContact O-N 2.85Å; D146-Y244 HydrophobicContact CB-CD2 3.72Å; D146-Y244 HydrophobicContact CB-CE2 3.37Å; Q151-Y244 PolarHBondContact NE2-OH 2.82Å; H154-Y244 AromaticContact CE1-CD1 3.58Å; H154-Y244 AromaticContact CE1-CD2 3.69Å; H154-Y244 AromaticContact CE1-CE1 3.83Å; H154-Y244 AromaticContact CE1-CE2 3.93Å; H154-Y244 AromaticContact CE1-CG 3.47Å; H154-Y244 VanDerWaalsContact CE1-CG 3.47Å; H154-Y244 AromaticContact CE1-CZ 3.98Å; H154-Y244 AromaticContact NE2-CG 3.98Å; H215-Y244 WeakPolarHBondContact O-CD2 3.5Å; Y244-H246 VanDerWaalsContact C-N 3.34Å; Y244-H246 AromaticContact CD1-CD2 3.85Å; Y244-H246 AromaticContact CD1-CE1 3.36Å; Y244-H246 WeakPolarHBondContact CD1-CE1 3.31Å; Y244-H246 AromaticContact CD1-CG 3.8Å; Y244-H246 AromaticContact CD1-ND1 3.51Å; Y244-H246 AromaticContact CD1-NE2 3.58Å; Y244-H246 AromaticContact CE1-CE1 3.91Å; Y244-H246 AromaticContact CE1-ND1 3.83Å; Y244-H246 PolarHBondContact O-CD2 3.41Å; Y244-H246 PolarHBondContact O-N 2.79Å | ||
| 245 | P | 97.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | trans | -82.6 | 76.8 | -174.2 | 32.6 | -34.2 | 0 | 0 | 0 | 112.1 | Y178 L182 A214 V217 C247 | Y178-P245 HydrophobicContact CD1-CB 3.73Å; Y178-P245 HydrophobicContact CE1-CB 4.42Å; Y178-P245 VanDerWaalsContact CG-CA 3.44Å; Y178-P245 HydrophobicContact CG-CB 3.86Å; L182-P245 HydrophobicContact CD1-CB 4.04Å; L182-P245 HydrophobicContact CD1-CG 4.44Å; L182-P245 HydrophobicContact CD2-CB 3.97Å; L182-P245 HydrophobicContact CD2-CG 4.24Å; L182-P245 HydrophobicContact CG-CB 4.18Å; A214-P245 HydrophobicContact CB-CG 3.8Å; V217-P245 HydrophobicContact CG2-CB 3.74Å; V217-P245 HydrophobicContact CG2-CG 4.25Å; P245-C247 PolarHBondContact O-N 3.13Å; P245-C247 VanDerWaalsContact O-N 3.13Å | ||
| 246 | H | 98.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | trans | -63.4 | 109.5 | 176.9 | -69.1 | -71.6 | 0 | 0 | 0 | 111.8 | F141 H154 H175 Y178 Y244 F251 | F141-H246 AromaticContact CD1-NE2 3.67Å; F141-H246 AromaticContact CE1-CE1 3.89Å; F141-H246 AromaticContact CE1-NE2 3.65Å; H154-H246 AromaticContact CE1-CE1 3.67Å; H154-H246 AromaticContact CG-CE1 3.98Å; H154-H246 AromaticContact ND1-CE1 3.66Å; H154-H246 AromaticContact NE2-CE1 4Å; H175-H246 PolarHBondContact CE1-O 2.83Å; H175-H246 VanDerWaalsContact CE1-O 3.27Å; H175-H246 PolarHBondContact ND1-O 3.3Å; Y178-H246 HydrophobicContact CD2-CB 4.44Å; Y178-H246 WeakPolarHBondContact CD2-O 3.36Å; Y244-H246 VanDerWaalsContact C-N 3.34Å; Y244-H246 AromaticContact CD1-CD2 3.85Å; Y244-H246 AromaticContact CD1-CE1 3.36Å; Y244-H246 WeakPolarHBondContact CD1-CE1 3.31Å; Y244-H246 AromaticContact CD1-CG 3.8Å; Y244-H246 AromaticContact CD1-ND1 3.51Å; Y244-H246 AromaticContact CD1-NE2 3.58Å; Y244-H246 AromaticContact CE1-CE1 3.91Å; Y244-H246 AromaticContact CE1-ND1 3.83Å; Y244-H246 PolarHBondContact O-CD2 3.41Å; Y244-H246 PolarHBondContact O-N 2.79Å; H246-F251 HydrophobicContact CB-CB 4.15Å; H246-F251 HydrophobicContact CB-CD2 3.92Å; H246-F251 HydrophobicContact CB-CG 4.18Å; H246-F251 AromaticContact CG-CD2 3.67Å; H246-F251 AromaticContact ND1-CD2 3.57Å | ||
| 247 | C | 98.1 | Very high | 94.3 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 27% | 0.27 | 20% | 0.2 | S | C | . | . | trans | -71.7 | 145.4 | 168.7 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | D179 P245 V249 S250 F251 | D179-C247 WeakPolarHBondContact OD1-CB 3.49Å; P245-C247 PolarHBondContact O-N 3.13Å; P245-C247 VanDerWaalsContact O-N 3.13Å; C247-V249 VanDerWaalsContact C-N 3.31Å; C247-V249 PolarHBondContact O-N 2.96Å; C247-S250 PolarHBondContact O-N 3.19Å; C247-F251 WeakPolarHBondContact O-CB 3.49Å; C247-F251 PolarHBondContact O-N 3.23Å | ||
| 248 | L | 98.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.6 | -45.3 | -173.9 | 173.5 | 61.2 | 0 | 0 | 0 | 113.5 | D179 T252 V267 Y274 F285 | D179-L248 WeakPolarHBondContact OD2-CB 3.4Å; D179-L248 PolarHBondContact OD2-N 3.36Å; L248-T252 VanDerWaalsContact O-CB 3.3Å; L248-T252 WeakPolarHBondContact O-CB 3.31Å; L248-T252 PolarHBondContact O-N 3.11Å; L248-T252 PolarHBondContact O-OG1 2.8Å; L248-V267 HydrophobicContact CD1-CG1 3.94Å; L248-V267 HydrophobicContact CD1-CG2 4.37Å; L248-Y274 HydrophobicContact CD2-CD1 4.15Å; L248-Y274 HydrophobicContact CD2-CE1 3.48Å; L248-Y274 VanDerWaalsContact CD2-CE1 3.48Å; L248-F285 HydrophobicContact CB-CD2 4.16Å; L248-F285 HydrophobicContact CB-CE2 4.02Å; L248-F285 HydrophobicContact CB-CZ 4.47Å; L248-F285 HydrophobicContact CD1-CB 4.16Å; L248-F285 HydrophobicContact CD1-CD1 4.06Å; L248-F285 HydrophobicContact CD1-CD2 4.14Å; L248-F285 HydrophobicContact CD1-CG 3.86Å; L248-F285 HydrophobicContact CD2-CD1 4.19Å; L248-F285 HydrophobicContact CD2-CE1 3.82Å; L248-F285 HydrophobicContact CD2-CE2 4.2Å; L248-F285 HydrophobicContact CD2-CZ 3.82Å; L248-F285 HydrophobicContact CG-CE2 4.48Å |
| 249 | V | 98.1 | Very high | 96 | Very high | 96 Ų | 96 | 31.1 Ų | 31.1 | 58% | 0.582 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -65.6 | -51.4 | -178.1 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | C247 F251 T252 E253 | C247-V249 VanDerWaalsContact C-N 3.31Å; C247-V249 PolarHBondContact O-N 2.96Å; V249-F251 VanDerWaalsContact C-N 3.34Å; V249-F251 PolarHBondContact O-N 3.05Å; V249-T252 WeakPolarHBondContact O-CB 3.44Å; V249-T252 PolarHBondContact O-N 3.02Å; V249-E253 WeakPolarHBondContact O-CG 3.38Å; V249-E253 PolarHBondContact O-N 2.83Å; V249-E253 VanDerWaalsContact O-N 3.09Å |
| 250 | S | 97.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.8 | -40 | -179.6 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | C247 E253 L254 | C247-S250 PolarHBondContact O-N 3.19Å; S250-E253 PolarHBondContact O-N 3.38Å; S250-L254 WeakPolarHBondContact O-CG 3.2Å; S250-L254 PolarHBondContact O-N 3.41Å |
| 251 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.8 | -37.4 | 178.4 | -162.1 | -115.9 | 0 | 0 | 0 | 112.4 | F141 L158 I173 H175 H246 C247 V249 E253 L254 L255 H287 | F141-F251 AromaticContact CD1-CE2 3.45Å; F141-F251 HydrophobicContact CD1-CE2 3.45Å; F141-F251 VanDerWaalsContact CD1-CE2 3.45Å; F141-F251 AromaticContact CD1-CZ 3.81Å; F141-F251 HydrophobicContact CD1-CZ 3.81Å; F141-F251 AromaticContact CE1-CE2 3.67Å; F141-F251 HydrophobicContact CE1-CE2 3.67Å; F141-F251 HydrophobicContact CE1-CZ 4.37Å; F141-F251 HydrophobicContact CG-CE2 4.37Å; F141-F251 HydrophobicContact CG-CZ 4.31Å; L158-F251 HydrophobicContact CD1-CE2 4.32Å; I173-F251 HydrophobicContact CD1-CZ 3.96Å; I173-F251 HydrophobicContact CG1-CE1 4.36Å; I173-F251 HydrophobicContact CG1-CZ 4.16Å; H175-F251 AromaticContact CD2-CD1 3.16Å; H175-F251 WeakPolarHBondContact CD2-CD1 3.14Å; H175-F251 AromaticContact CD2-CE1 3.59Å; H175-F251 AromaticContact CD2-CG 3.82Å; H175-F251 AromaticContact NE2-CD1 3.56Å; H175-F251 AromaticContact NE2-CG 3.99Å; H246-F251 HydrophobicContact CB-CB 4.15Å; H246-F251 HydrophobicContact CB-CD2 3.92Å; H246-F251 HydrophobicContact CB-CG 4.18Å; H246-F251 AromaticContact CG-CD2 3.67Å; H246-F251 AromaticContact ND1-CD2 3.57Å; C247-F251 WeakPolarHBondContact O-CB 3.49Å; C247-F251 PolarHBondContact O-N 3.23Å; V249-F251 VanDerWaalsContact C-N 3.34Å; V249-F251 PolarHBondContact O-N 3.05Å; F251-E253 VanDerWaalsContact C-N 3.34Å; F251-E253 PolarHBondContact O-N 2.72Å; F251-L254 HydrophobicContact CD2-CD1 4.4Å; F251-L254 PolarHBondContact O-N 3Å; F251-L255 HydrophobicContact CD1-CD1 3.51Å; F251-L255 HydrophobicContact CD1-CG 4.2Å; F251-L255 HydrophobicContact CE1-CD1 3.43Å; F251-L255 VanDerWaalsContact CE1-CD1 3.43Å; F251-L255 HydrophobicContact CE1-CD2 4.4Å; F251-L255 HydrophobicContact CE1-CG 4.03Å; F251-L255 HydrophobicContact CG-CD1 4.34Å; F251-L255 HydrophobicContact CZ-CD1 4.16Å; F251-L255 HydrophobicContact CZ-CD2 4.36Å; F251-L255 HydrophobicContact CZ-CG 4.29Å; F251-L255 WeakPolarHBondContact O-CB 3.29Å; F251-L255 VanDerWaalsContact O-CG 3.32Å; F251-L255 WeakPolarHBondContact O-CG 3.41Å; F251-L255 PolarHBondContact O-N 2.93Å; F251-H287 AromaticContact CD1-CD2 3.99Å; F251-H287 AromaticContact CD1-CE1 3.91Å; F251-H287 AromaticContact CD1-NE2 3.72Å |
| 252 | T | 98.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 17% | 0.172 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57 | -47.2 | 172.2 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | L248 V249 L255 Q256 H265 H287 | L248-T252 VanDerWaalsContact O-CB 3.3Å; L248-T252 WeakPolarHBondContact O-CB 3.31Å; L248-T252 PolarHBondContact O-N 3.11Å; L248-T252 PolarHBondContact O-OG1 2.8Å; V249-T252 WeakPolarHBondContact O-CB 3.44Å; V249-T252 PolarHBondContact O-N 3.02Å; T252-L255 PolarHBondContact O-N 3.48Å; T252-Q256 WeakPolarHBondContact O-CG 3.36Å; T252-Q256 PolarHBondContact O-N 2.96Å; T252-H265 WeakPolarHBondContact CG2-CE1 3.43Å; T252-H287 PolarHBondContact OG1-CE1 2.99Å |
| 253 | E | 98.3 | Very high | 97.5 | Very high | 120 Ų | 120 | 39.4 Ų | 39.4 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.8 | -45.6 | 178.2 | -69.7 | 171.8 | 177.8 | 0 | 0 | 112.1 | V249 S250 F251 L255 Q256 A257 | V249-E253 WeakPolarHBondContact O-CG 3.38Å; V249-E253 PolarHBondContact O-N 2.83Å; V249-E253 VanDerWaalsContact O-N 3.09Å; S250-E253 PolarHBondContact O-N 3.38Å; F251-E253 VanDerWaalsContact C-N 3.34Å; F251-E253 PolarHBondContact O-N 2.72Å; E253-L255 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 3.46Å; E253-Q256 PolarHBondContact O-N 3.36Å; E253-A257 VanDerWaalsContact O-CB 3.27Å; E253-A257 WeakPolarHBondContact O-CB 3.42Å; E253-A257 PolarHBondContact O-N 3.21Å |
| 254 | L | 98.5 | Very high | 97.6 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 177.1 | -74.5 | 172.2 | 0 | 0 | 0 | 112.2 | R155 L158 S250 F251 A257 A258 | R155-L254 HydrophobicContact CG-CD2 3.54Å; L158-L254 HydrophobicContact CD1-CB 3.71Å; S250-L254 WeakPolarHBondContact O-CG 3.2Å; S250-L254 PolarHBondContact O-N 3.41Å; F251-L254 HydrophobicContact CD2-CD1 4.4Å; F251-L254 PolarHBondContact O-N 3Å; L254-A257 PolarHBondContact O-N 3.01Å; L254-A258 PolarHBondContact O-N 2.96Å |
| 255 | L | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.7 | -49.1 | 179.3 | -75 | 168.4 | 0 | 0 | 0 | 111.5 | L158 L171 I173 F251 T252 E253 A257 A258 F259 H287 L289 | L158-L255 HydrophobicContact CD1-CD2 4.33Å; L158-L255 HydrophobicContact CD2-CD2 3.74Å; L171-L255 HydrophobicContact CD2-CD2 4.19Å; I173-L255 HydrophobicContact CD1-CD2 4.42Å; I173-L255 HydrophobicContact CG2-CD1 3.95Å; I173-L255 HydrophobicContact CG2-CD2 3.63Å; I173-L255 HydrophobicContact CG2-CG 4.47Å; F251-L255 HydrophobicContact CD1-CD1 3.51Å; F251-L255 HydrophobicContact CD1-CG 4.2Å; F251-L255 HydrophobicContact CE1-CD1 3.43Å; F251-L255 VanDerWaalsContact CE1-CD1 3.43Å; F251-L255 HydrophobicContact CE1-CD2 4.4Å; F251-L255 HydrophobicContact CE1-CG 4.03Å; F251-L255 HydrophobicContact CG-CD1 4.34Å; F251-L255 HydrophobicContact CZ-CD1 4.16Å; F251-L255 HydrophobicContact CZ-CD2 4.36Å; F251-L255 HydrophobicContact CZ-CG 4.29Å; F251-L255 WeakPolarHBondContact O-CB 3.29Å; F251-L255 VanDerWaalsContact O-CG 3.32Å; F251-L255 WeakPolarHBondContact O-CG 3.41Å; F251-L255 PolarHBondContact O-N 2.93Å; T252-L255 PolarHBondContact O-N 3.48Å; E253-L255 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 3.46Å; L255-A257 VanDerWaalsContact C-N 3.26Å; L255-A257 PolarHBondContact O-N 3.05Å; L255-A258 WeakPolarHBondContact O-CB 3.38Å; L255-A258 PolarHBondContact O-N 3.11Å; L255-A258 VanDerWaalsContact O-N 3.1Å; L255-F259 WeakPolarHBondContact O-CD2 3.47Å; L255-F259 PolarHBondContact O-N 3.47Å; L255-H287 HydrophobicContact CD1-CB 3.68Å; L255-H287 VanDerWaalsContact CD1-CG 3.49Å; L255-H287 VanDerWaalsContact CD1-ND1 3.33Å; L255-H287 WeakPolarHBondContact CD1-ND1 3.42Å; L255-L289 HydrophobicContact CB-CD1 4.48Å; L255-L289 HydrophobicContact CB-CD2 3.93Å; L255-L289 HydrophobicContact CD1-CD1 4.2Å; L255-L289 HydrophobicContact CD2-CD1 4.42Å |
| 256 | Q | 97.9 | Very high | 97.7 | Very high | 78 Ų | 78 | 49 Ų | 49 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 177.8 | -70.1 | 177.1 | -7.9 | 0 | 0 | 111.6 | T252 E253 A258 F259 G260 G261 H265 | T252-Q256 WeakPolarHBondContact O-CG 3.36Å; T252-Q256 PolarHBondContact O-N 2.96Å; E253-Q256 PolarHBondContact O-N 3.36Å; Q256-A258 VanDerWaalsContact C-N 3.34Å; Q256-A258 PolarHBondContact O-N 3.22Å; Q256-F259 PolarHBondContact O-N 2.96Å; Q256-G260 PolarHBondContact O-N 2.86Å; Q256-G261 PolarHBondContact O-N 2.8Å; Q256-H265 HydrophobicContact CG-CB 4.4Å; Q256-H265 PolarHBondContact NE2-ND1 2.83Å |
| 257 | A | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 55% | 0.554 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.9 | -36.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E253 L254 L255 F259 G260 | E253-A257 VanDerWaalsContact O-CB 3.27Å; E253-A257 WeakPolarHBondContact O-CB 3.42Å; E253-A257 PolarHBondContact O-N 3.21Å; L254-A257 PolarHBondContact O-N 3.01Å; L255-A257 VanDerWaalsContact C-N 3.26Å; L255-A257 PolarHBondContact O-N 3.05Å; A257-F259 PolarHBondContact O-N 3.17Å; A257-G260 PolarHBondContact O-N 2.76Å |
| 258 | A | 98.3 | Very high | 97.7 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -26.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L158 A162 L254 L255 Q256 | L158-A258 HydrophobicContact CB-CB 3.75Å; A162-A258 HydrophobicContact CB-CB 4.19Å; L254-A258 PolarHBondContact O-N 2.96Å; L255-A258 WeakPolarHBondContact O-CB 3.38Å; L255-A258 PolarHBondContact O-N 3.11Å; L255-A258 VanDerWaalsContact O-N 3.1Å; Q256-A258 VanDerWaalsContact C-N 3.34Å; Q256-A258 PolarHBondContact O-N 3.22Å |
| 259 | F | 98 | Very high | 97.6 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 2.9 | 171 | -72.1 | -93.3 | 0 | 0 | 0 | 113.3 | A162 V165 L171 L255 Q256 A257 G261 K262 C263 L289 K291 | A162-F259 HydrophobicContact CB-CD1 4.31Å; A162-F259 HydrophobicContact CB-CD2 4.05Å; A162-F259 HydrophobicContact CB-CE1 4Å; A162-F259 HydrophobicContact CB-CE2 3.69Å; A162-F259 HydrophobicContact CB-CG 4.34Å; A162-F259 HydrophobicContact CB-CZ 3.68Å; V165-F259 HydrophobicContact CB-CE1 4.34Å; V165-F259 HydrophobicContact CG2-CE1 4.36Å; V165-F259 HydrophobicContact CG2-CZ 4.19Å; L171-F259 HydrophobicContact CB-CE2 4.37Å; L171-F259 HydrophobicContact CB-CZ 3.83Å; L171-F259 HydrophobicContact CD2-CE2 3.69Å; L171-F259 HydrophobicContact CD2-CZ 3.86Å; L255-F259 WeakPolarHBondContact O-CD2 3.47Å; L255-F259 PolarHBondContact O-N 3.47Å; Q256-F259 PolarHBondContact O-N 2.96Å; A257-F259 PolarHBondContact O-N 3.17Å; F259-G261 PolarHBondContact O-N 2.74Å; F259-K262 WeakPolarHBondContact O-CB 3.42Å; F259-K262 PolarHBondContact O-N 3.14Å; F259-C263 HydrophobicContact CB-CB 3.83Å; F259-C263 HydrophobicContact CD1-CB 4.12Å; F259-C263 HydrophobicContact CD2-CB 4.38Å; F259-C263 HydrophobicContact CG-CB 3.85Å; F259-L289 HydrophobicContact CD2-CD2 3.71Å; F259-L289 HydrophobicContact CE2-CB 4.1Å; F259-L289 HydrophobicContact CE2-CD2 3.69Å; F259-L289 HydrophobicContact CE2-CG 4.39Å; F259-L289 HydrophobicContact CZ-CB 4.26Å; F259-K291 HydrophobicContact CD1-CB 4.09Å; F259-K291 HydrophobicContact CD1-CD 4.14Å; F259-K291 HydrophobicContact CD1-CG 3.89Å; F259-K291 HydrophobicContact CE1-CB 3.89Å; F259-K291 HydrophobicContact CE1-CD 4.04Å; F259-K291 HydrophobicContact CE1-CG 4.06Å |
| 260 | G | 96.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 44.6 Ų | 44.6 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 29.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q256 A257 K262 | Q256-G260 PolarHBondContact O-N 2.86Å; A257-G260 PolarHBondContact O-N 2.76Å; G260-K262 PolarHBondContact O-N 3.19Å |
| 261 | G | 92.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 59% | 0.588 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -3.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q256 F259 C263 | Q256-G261 PolarHBondContact O-N 2.8Å; F259-G261 PolarHBondContact O-N 2.74Å; G261-C263 VanDerWaalsContact C-N 3.28Å; G261-C263 PolarHBondContact O-N 2.73Å; G261-C263 VanDerWaalsContact O-N 3.09Å |
| 262 | K | 96.1 | Very high | 96.9 | Very high | 109 Ų | 109 | 48.9 Ų | 48.9 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | trans | -87.3 | 60.2 | 179.3 | -64.4 | -174.1 | 165.2 | -154.3 | 0 | 112.3 | F259 G260 T292 D293 | F259-K262 WeakPolarHBondContact O-CB 3.42Å; F259-K262 PolarHBondContact O-N 3.14Å; G260-K262 PolarHBondContact O-N 3.19Å; K262-T292 WeakPolarHBondContact CA-OG1 3.13Å; K262-T292 PolarHBondContact O-N 3.21Å; K262-T292 PolarHBondContact O-OG1 2.83Å; K262-D293 PolarHBondContact NZ-OXT 3.48Å | ||
| 263 | C | 97.9 | Very high | 96.7 | Very high | 23 Ų | 23 | 52.5 Ų | 52.5 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 149.6 | 176.8 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | F259 G261 L289 K290 | F259-C263 HydrophobicContact CB-CB 3.83Å; F259-C263 HydrophobicContact CD1-CB 4.12Å; F259-C263 HydrophobicContact CD2-CB 4.38Å; F259-C263 HydrophobicContact CG-CB 3.85Å; G261-C263 VanDerWaalsContact C-N 3.28Å; G261-C263 PolarHBondContact O-N 2.73Å; G261-C263 VanDerWaalsContact O-N 3.09Å; C263-L289 HydrophobicContact CB-CD2 4.49Å; C263-K290 CarbonylContact C-O 3.6Å; C263-K290 WeakPolarHBondContact CA-O 3.18Å; C263-K290 WeakPolarHBondContact CB-O 3.44Å |
| 264 | Q | 98.3 | Very high | 96.7 | Very high | 124 Ų | 124 | 49.5 Ų | 49.5 | 58% | 0.579 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.5 | 158.7 | -61.8 | 174.7 | -9.9 | 0 | 0 | 107.6 | L289 K290 T292 | Q264-L289 CarbonylContact O-C 3.3Å; Q264-L289 VanDerWaalsContact O-CA 3.25Å; Q264-L289 WeakPolarHBondContact O-CA 3.18Å; Q264-K290 HydrophobicContact CB-CB 4.3Å; Q264-K290 PolarHBondContact N-O 3.03Å; Q264-K290 PolarHBondContact O-N 3.3Å; Q264-T292 HydrophobicContact CG-CG2 4.11Å |
| 265 | H | 98.3 | Very high | 96.5 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 22% | 0.222 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.3 | -178 | 174 | -131.8 | 0 | 0 | 0 | 110.5 | T252 Q256 V267 H287 L289 | T252-H265 WeakPolarHBondContact CG2-CE1 3.43Å; Q256-H265 HydrophobicContact CG-CB 4.4Å; Q256-H265 PolarHBondContact NE2-ND1 2.83Å; H265-V267 VanDerWaalsContact CE1-CG2 3.42Å; H265-V267 WeakPolarHBondContact CE1-CG2 3.46Å; H265-V267 VanDerWaalsContact NE2-CG2 3.29Å; H265-V267 WeakPolarHBondContact NE2-CG2 3.49Å; H265-H287 AromaticContact CE1-ND1 3.59Å; H265-H287 AromaticContact NE2-CG 3.74Å; H265-H287 AromaticContact NE2-ND1 3.02Å; H265-H287 PolarHBondContact NE2-ND1 2.89Å; H265-L289 HydrophobicContact CB-CD2 4.43Å; H265-L289 HydrophobicContact CB-CG 4.34Å |
| 266 | S | 97.9 | Very high | 96.3 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.5 | 171.1 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | V288 | S266-V288 PolarHBondContact N-O 2.68Å; S266-V288 PolarHBondContact O-N 3.18Å; S266-V288 PolarHBondContact OG-O 3.37Å |
| 267 | V | 98.3 | Very high | 96 | Very high | 30 Ų | 30 | 64 Ų | 64 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136 | 178.2 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | L248 H265 Y274 F285 I286 | L248-V267 HydrophobicContact CD1-CG1 3.94Å; L248-V267 HydrophobicContact CD1-CG2 4.37Å; H265-V267 VanDerWaalsContact CE1-CG2 3.42Å; H265-V267 WeakPolarHBondContact CE1-CG2 3.46Å; H265-V267 VanDerWaalsContact NE2-CG2 3.29Å; H265-V267 WeakPolarHBondContact NE2-CG2 3.49Å; V267-Y274 PolarHBondContact O-N 2.9Å; V267-F285 HydrophobicContact CG1-CB 4.18Å; V267-F285 HydrophobicContact CG1-CD1 3.93Å; V267-F285 HydrophobicContact CG1-CG 4.45Å; V267-I286 WeakPolarHBondContact CA-O 3.31Å |
| 268 | L | 98.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 63.5 Ų | 63.5 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.5 | 171.8 | -56.6 | 166.3 | 0 | 0 | 0 | 109.1 | W48 K272 F285 I286 V288 | W48-L268 HydrophobicContact CZ2-CD1 3.45Å; W48-L268 VanDerWaalsContact CZ2-CD1 3.45Å; W48-L268 VanDerWaalsContact NE1-CD1 3.32Å; L268-K272 CarbonylContact C-O 3.49Å; L268-K272 WeakPolarHBondContact CA-O 3.39Å; L268-K272 WeakPolarHBondContact CB-O 3.45Å; L268-F285 WeakPolarHBondContact O-CA 3.5Å; L268-I286 HydrophobicContact CB-CB 4.32Å; L268-I286 PolarHBondContact N-O 3.26Å; L268-I286 PolarHBondContact O-N 3.06Å; L268-V288 HydrophobicContact CD1-CG2 4.39Å |
| 269 | G | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 114.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | F271 K272 P282 | G269-F271 PolarHBondContact O-N 3.28Å; G269-K272 PolarHBondContact N-O 2.91Å; G269-K272 PolarHBondContact O-N 2.92Å; G269-P282 VanDerWaalsContact CA-CB 3.46Å |
| 270 | D | 92.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.037 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 54.7 | -177.2 | -57.1 | -23.4 | 0 | 0 | 0 | 113.2 | I193 K272 Y280 P282 C283 Y284 | I193-D270 HydrophobicContact CD1-CB 4.25Å; I193-D270 HydrophobicContact CG2-CB 4Å; D270-K272 PolarHBondContact O-N 3.39Å; D270-K272 VanDerWaalsContact O-N 3.13Å; D270-Y280 HydrophobicContact CB-CE1 4.22Å; D270-Y280 WeakPolarHBondContact OD2-CE1 3.4Å; D270-Y280 PolarHBondContact OD2-OH 2.9Å; D270-P282 HydrophobicContact CB-CB 4.47Å; D270-P282 VanDerWaalsContact OD2-CA 3.22Å; D270-P282 WeakPolarHBondContact OD2-CA 3.23Å; D270-C283 PolarHBondContact OD1-N 3.31Å; D270-C283 PolarHBondContact OD2-N 2.83Å; D270-Y284 PolarHBondContact N-O 3.12Å; D270-Y284 VanDerWaalsContact N-O 3.15Å; D270-Y284 PolarHBondContact OD1-N 3.25Å |
| 271 | F | 92.7 | Very high | 95.1 | Very high | 16 Ų | 16 | 73.7 Ų | 73.7 | 7% | 0.07 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 2.9 | -178.7 | -46.3 | -62.4 | 0 | 0 | 0 | 116.5 | E44 Y45 W48 I193 Y194 G269 I286 | E44-F271 HydrophobicContact CG-CD2 4.28Å; Y45-F271 HydrophobicContact CD2-CD1 4.43Å; Y45-F271 AromaticContact CD2-CE1 3.44Å; Y45-F271 HydrophobicContact CD2-CE1 3.44Å; Y45-F271 VanDerWaalsContact CD2-CE1 3.44Å; Y45-F271 HydrophobicContact CD2-CE2 4.18Å; Y45-F271 AromaticContact CD2-CZ 3.29Å; Y45-F271 HydrophobicContact CD2-CZ 3.29Å; Y45-F271 HydrophobicContact CE2-CE1 4.11Å; Y45-F271 HydrophobicContact CE2-CZ 4.22Å; Y45-F271 HydrophobicContact CG-CE1 4.41Å; Y45-F271 HydrophobicContact CG-CE2 4.41Å; Y45-F271 AromaticContact CG-CZ 3.87Å; Y45-F271 HydrophobicContact CG-CZ 3.87Å; W48-F271 HydrophobicContact CB-CB 4.41Å; W48-F271 HydrophobicContact CB-CD1 4.43Å; W48-F271 HydrophobicContact CB-CG 4.49Å; W48-F271 HydrophobicContact CD2-CB 4.43Å; W48-F271 AromaticContact CD2-CD1 3.52Å; W48-F271 HydrophobicContact CD2-CD1 3.52Å; W48-F271 HydrophobicContact CD2-CE1 4.22Å; W48-F271 HydrophobicContact CD2-CG 4.31Å; W48-F271 AromaticContact CE3-CD1 3.43Å; W48-F271 HydrophobicContact CE3-CD1 3.43Å; W48-F271 VanDerWaalsContact CE3-CD1 3.43Å; W48-F271 AromaticContact CE3-CE1 3.64Å; W48-F271 HydrophobicContact CE3-CE1 3.64Å; W48-F271 HydrophobicContact CE3-CG 4.5Å; W48-F271 HydrophobicContact CG-CB 4.08Å; W48-F271 AromaticContact CG-CD1 3.95Å; W48-F271 HydrophobicContact CG-CD1 3.95Å; W48-F271 HydrophobicContact CG-CG 4.28Å; W48-F271 HydrophobicContact CH2-CD1 4.43Å; W48-F271 AromaticContact CZ3-CD1 3.92Å; W48-F271 HydrophobicContact CZ3-CD1 3.92Å; W48-F271 AromaticContact CZ3-CE1 3.87Å; W48-F271 HydrophobicContact CZ3-CE1 3.87Å; I193-F271 HydrophobicContact CB-CE2 3.97Å; I193-F271 HydrophobicContact CD1-CD2 4.29Å; I193-F271 HydrophobicContact CD1-CE1 4.45Å; I193-F271 HydrophobicContact CD1-CE2 3.65Å; I193-F271 HydrophobicContact CD1-CZ 3.71Å; I193-F271 HydrophobicContact CG1-CE2 3.88Å; I193-F271 HydrophobicContact CG1-CZ 4.06Å; Y194-F271 HydrophobicContact CD1-CZ 4.15Å; Y194-F271 HydrophobicContact CE1-CE1 4.14Å; Y194-F271 AromaticContact CE1-CZ 3.67Å; Y194-F271 HydrophobicContact CE1-CZ 3.67Å; G269-F271 PolarHBondContact O-N 3.28Å; F271-I286 HydrophobicContact CD1-CD1 3.25Å; F271-I286 HydrophobicContact CE1-CD1 3.23Å; F271-I286 HydrophobicContact CE1-CG1 4.48Å; F271-I286 HydrophobicContact CG-CD1 4.05Å; F271-I286 HydrophobicContact CZ-CD1 4.04Å |
| 272 | K | 93.3 | Very high | 95.2 | Very high | 113 Ų | 113 | 71.1 Ų | 71.1 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 151 | 177.9 | -64.4 | 172.1 | -172.3 | 167.6 | 0 | 111.3 | E44 L268 G269 D270 Y274 | E44-K272 WeakPolarHBondContact OE1-CE 3.34Å; E44-K272 IonicContact OE1-NZ 3.86Å; L268-K272 CarbonylContact C-O 3.49Å; L268-K272 WeakPolarHBondContact CA-O 3.39Å; L268-K272 WeakPolarHBondContact CB-O 3.45Å; G269-K272 PolarHBondContact N-O 2.91Å; G269-K272 PolarHBondContact O-N 2.92Å; D270-K272 PolarHBondContact O-N 3.39Å; D270-K272 VanDerWaalsContact O-N 3.13Å; K272-Y274 PolarHBondContact O-N 2.63Å |
| 273 | P | 95.9 | Very high | 95 | Very high | 105 Ų | 105 | 66.7 Ų | 66.7 | 68% | 0.682 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 125.1 | 175.6 | -27.9 | 35.7 | 0 | 0 | 0 | 111.8 | ||
| 274 | Y | 96.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 66 Ų | 66 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | trans | -93.1 | 135.8 | 178 | -179.6 | -107.1 | 0 | 0 | 0 | 111.1 | L248 V267 K272 P276 Q278 P282 F285 | L248-Y274 HydrophobicContact CD2-CD1 4.15Å; L248-Y274 HydrophobicContact CD2-CE1 3.48Å; L248-Y274 VanDerWaalsContact CD2-CE1 3.48Å; V267-Y274 PolarHBondContact O-N 2.9Å; K272-Y274 PolarHBondContact O-N 2.63Å; Y274-P276 HydrophobicContact CE1-CG 4.28Å; Y274-Q278 HydrophobicContact CD2-CG 4.26Å; Y274-Q278 HydrophobicContact CE2-CG 4.05Å; Y274-P282 HydrophobicContact CD2-CG 4.27Å; Y274-P282 HydrophobicContact CE2-CG 4.28Å; Y274-F285 HydrophobicContact CD1-CE1 4.13Å; Y274-F285 AromaticContact CD2-CE1 3.76Å; Y274-F285 HydrophobicContact CD2-CE1 3.76Å; Y274-F285 AromaticContact CE1-CE1 3.96Å; Y274-F285 HydrophobicContact CE1-CE1 3.96Å; Y274-F285 AromaticContact CE2-CE1 3.59Å; Y274-F285 HydrophobicContact CE2-CE1 3.59Å; Y274-F285 HydrophobicContact CE2-CZ 4.14Å; Y274-F285 HydrophobicContact CG-CD1 4.5Å; Y274-F285 HydrophobicContact CG-CE1 4.03Å; Y274-F285 AromaticContact CZ-CE1 3.67Å | ||
| 275 | R | 95.7 | Very high | 94.8 | Very high | 196 Ų | 196 | 60.2 Ų | 60.2 | 74% | 0.74 | 34% | 0.338 | S | S | * | . | trans | -127.7 | 130.3 | 168.6 | -63.2 | -174.8 | -176.4 | -155.8 | 0.6 | 109.6 | G277 Q278 | R275-G277 PolarHBondContact O-N 2.88Å; R275-Q278 VanDerWaalsContact O-CB 3.3Å; R275-Q278 WeakPolarHBondContact O-CB 3.43Å; R275-Q278 WeakPolarHBondContact O-CG 3.15Å; R275-Q278 PolarHBondContact O-N 3.44Å; R275-Q278 VanDerWaalsContact O-N 3.09Å; R275-Q278 PolarHBondContact O-OE1 3.3Å | ||
| 276 | P | 93.5 | Very high | 94.8 | Very high | 117 Ų | 117 | 57.9 Ų | 57.9 | 76% | 0.76 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 134.4 | 172.9 | -26.8 | 35.1 | 0 | 0 | 0 | 111.4 | Y274 Q278 | Y274-P276 HydrophobicContact CE1-CG 4.28Å; P276-Q278 VanDerWaalsContact C-N 3.34Å |
| 277 | G | 91.6 | Very high | 94.9 | Very high | 83 Ų | 83 | 55 Ų | 55 | 86% | 0.856 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 4.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R275 | R275-G277 PolarHBondContact O-N 2.88Š|
| 278 | Q | 94.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | trans | -61.5 | 148.7 | 172.1 | 69.7 | 179.9 | 39.4 | 0 | 0 | 111.8 | Y274 R275 P276 Y280 | Y274-Q278 HydrophobicContact CD2-CG 4.26Å; Y274-Q278 HydrophobicContact CE2-CG 4.05Å; R275-Q278 VanDerWaalsContact O-CB 3.3Å; R275-Q278 WeakPolarHBondContact O-CB 3.43Å; R275-Q278 WeakPolarHBondContact O-CG 3.15Å; R275-Q278 PolarHBondContact O-N 3.44Å; R275-Q278 VanDerWaalsContact O-N 3.09Å; R275-Q278 PolarHBondContact O-OE1 3.3Å; P276-Q278 VanDerWaalsContact C-N 3.34Å; Q278-Y280 VanDerWaalsContact C-N 3.32Å; Q278-Y280 WeakPolarHBondContact CG-O 3.45Å; Q278-Y280 PolarHBondContact NE2-O 2.97Å; Q278-Y280 PolarHBondContact O-N 3.47Å | ||
| 279 | A | 93.5 | Very high | 94.9 | Very high | 106 Ų | 106 | 53 Ų | 53 | 88% | 0.876 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -67.1 | -31.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I281 | A279-I281 PolarHBondContact O-N 2.82Š|
| 280 | Y | 92.4 | Very high | 95 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 47% | 0.467 | 31% | 0.309 | S | S | . | . | trans | -78.6 | 120 | 179.3 | 179.4 | -100 | 0 | 0 | 0 | 111.2 | D270 Q278 P282 | D270-Y280 HydrophobicContact CB-CE1 4.22Å; D270-Y280 WeakPolarHBondContact OD2-CE1 3.4Å; D270-Y280 PolarHBondContact OD2-OH 2.9Å; Q278-Y280 VanDerWaalsContact C-N 3.32Å; Q278-Y280 WeakPolarHBondContact CG-O 3.45Å; Q278-Y280 PolarHBondContact NE2-O 2.97Å; Q278-Y280 PolarHBondContact O-N 3.47Å; Y280-P282 HydrophobicContact CD1-CB 4.49Å; Y280-P282 HydrophobicContact CE1-CB 4.03Å; Y280-P282 WeakPolarHBondContact O-CD 3.39Å | ||
| 281 | I | 92.1 | Very high | 95.3 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 47% | 0.467 | 32% | 0.318 | S | S | . | . | trans | -92.1 | 111.9 | 176.7 | -57.9 | 175.1 | 0 | 0 | 0 | 108.2 | Y180 A279 | Y180-I281 HydrophobicContact CD2-CD1 4.02Å; Y180-I281 HydrophobicContact CD2-CG2 3.67Å; Y180-I281 HydrophobicContact CE2-CD1 3.89Å; Y180-I281 HydrophobicContact CE2-CG2 4.27Å; Y180-I281 HydrophobicContact CG-CG2 4.21Å; A279-I281 PolarHBondContact O-N 2.82Å | ||
| 282 | P | 93.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.019 | 33% | 0.33 | C | S | . | . | trans | -74.6 | 150.9 | -179.7 | 31.5 | -35 | 0 | 0 | 0 | 111.7 | N177 G269 D270 Y274 Y280 F285 | N177-P282 WeakPolarHBondContact CB-O 3.31Å; N177-P282 PolarHBondContact ND2-O 3.49Å; G269-P282 VanDerWaalsContact CA-CB 3.46Å; D270-P282 HydrophobicContact CB-CB 4.47Å; D270-P282 VanDerWaalsContact OD2-CA 3.22Å; D270-P282 WeakPolarHBondContact OD2-CA 3.23Å; Y274-P282 HydrophobicContact CD2-CG 4.27Å; Y274-P282 HydrophobicContact CE2-CG 4.28Å; Y280-P282 HydrophobicContact CD1-CB 4.49Å; Y280-P282 HydrophobicContact CE1-CB 4.03Å; Y280-P282 WeakPolarHBondContact O-CD 3.39Å; P282-F285 HydrophobicContact CG-CD1 4.09Å; P282-F285 HydrophobicContact CG-CE1 3.5Å; P282-F285 HydrophobicContact CG-CZ 3.87Å | ||
| 283 | C | 91.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -73.9 | -35.6 | 170.7 | -72.6 | 0 | 0 | 0 | 0 | 111.5 | N177 I193 D270 | N177-C283 PolarHBondContact N-O 3.38Å; I193-C283 HydrophobicContact CG2-CB 4.5Å; D270-C283 PolarHBondContact OD1-N 3.31Å; D270-C283 PolarHBondContact OD2-N 2.83Å |
| 284 | Y | 94.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.6 | -177.6 | -65.5 | -101.9 | 0 | 0 | 0 | 111.4 | N139 D174 H175 R176 N192 I193 Y194 D270 | N139-Y284 HydrophobicContact CB-CD1 4.23Å; N139-Y284 HydrophobicContact CB-CE1 3.69Å; D174-Y284 WeakPolarHBondContact OD2-CD1 3.24Å; H175-Y284 WeakPolarHBondContact O-CA 3.32Å; R176-Y284 HydrophobicContact CG-CD1 3.99Å; R176-Y284 HydrophobicContact CG-CE1 3.59Å; R176-Y284 HydrophobicContact CG-CE2 4.48Å; R176-Y284 PolarHBondContact NE-OH 3.27Å; N192-Y284 PolarHBondContact ND2-OH 3.2Å; I193-Y284 HydrophobicContact CD1-CD2 3.7Å; I193-Y284 HydrophobicContact CD1-CG 3.92Å; I193-Y284 HydrophobicContact CG1-CD2 3.66Å; I193-Y284 HydrophobicContact CG1-CE2 4.13Å; I193-Y284 HydrophobicContact CG1-CG 4.27Å; I193-Y284 HydrophobicContact CG2-CD2 4.48Å; Y194-Y284 HydrophobicContact CD2-CD1 4.42Å; Y194-Y284 HydrophobicContact CD2-CE1 4.09Å; Y194-Y284 HydrophobicContact CD2-CE2 4.35Å; Y194-Y284 AromaticContact CE2-CD1 3.63Å; Y194-Y284 HydrophobicContact CE2-CD1 3.63Å; Y194-Y284 HydrophobicContact CE2-CD2 4.2Å; Y194-Y284 AromaticContact CE2-CE1 3.71Å; Y194-Y284 HydrophobicContact CE2-CE1 3.71Å; Y194-Y284 HydrophobicContact CE2-CE2 4.33Å; Y194-Y284 AromaticContact CE2-CG 3.88Å; Y194-Y284 HydrophobicContact CE2-CG 3.88Å; D270-Y284 PolarHBondContact N-O 3.12Å; D270-Y284 VanDerWaalsContact N-O 3.15Å; D270-Y284 PolarHBondContact OD1-N 3.25Å |
| 285 | F | 97.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128 | 163.8 | -68.4 | -63.6 | 0 | 0 | 0 | 109.1 | D174 H175 N177 L248 V267 L268 Y274 P282 | D174-F285 CarbonylContact C-O 3.58Å; D174-F285 WeakPolarHBondContact CA-O 3.35Å; D174-F285 WeakPolarHBondContact CB-O 3.36Å; H175-F285 AromaticContact CE1-CD2 3.7Å; H175-F285 PolarHBondContact N-O 3.49Å; H175-F285 PolarHBondContact O-N 3.41Å; N177-F285 HydrophobicContact CB-CD2 4.25Å; N177-F285 HydrophobicContact CB-CE2 3.88Å; N177-F285 VanDerWaalsContact CG-CE2 3.49Å; N177-F285 WeakPolarHBondContact OD1-CE2 3.17Å; L248-F285 HydrophobicContact CB-CD2 4.16Å; L248-F285 HydrophobicContact CB-CE2 4.02Å; L248-F285 HydrophobicContact CB-CZ 4.47Å; L248-F285 HydrophobicContact CD1-CB 4.16Å; L248-F285 HydrophobicContact CD1-CD1 4.06Å; L248-F285 HydrophobicContact CD1-CD2 4.14Å; L248-F285 HydrophobicContact CD1-CG 3.86Å; L248-F285 HydrophobicContact CD2-CD1 4.19Å; L248-F285 HydrophobicContact CD2-CE1 3.82Å; L248-F285 HydrophobicContact CD2-CE2 4.2Å; L248-F285 HydrophobicContact CD2-CZ 3.82Å; L248-F285 HydrophobicContact CG-CE2 4.48Å; V267-F285 HydrophobicContact CG1-CB 4.18Å; V267-F285 HydrophobicContact CG1-CD1 3.93Å; V267-F285 HydrophobicContact CG1-CG 4.45Å; L268-F285 WeakPolarHBondContact O-CA 3.5Å; Y274-F285 HydrophobicContact CD1-CE1 4.13Å; Y274-F285 AromaticContact CD2-CE1 3.76Å; Y274-F285 HydrophobicContact CD2-CE1 3.76Å; Y274-F285 AromaticContact CE1-CE1 3.96Å; Y274-F285 HydrophobicContact CE1-CE1 3.96Å; Y274-F285 AromaticContact CE2-CE1 3.59Å; Y274-F285 HydrophobicContact CE2-CE1 3.59Å; Y274-F285 HydrophobicContact CE2-CZ 4.14Å; Y274-F285 HydrophobicContact CG-CD1 4.5Å; Y274-F285 HydrophobicContact CG-CE1 4.03Å; Y274-F285 AromaticContact CZ-CE1 3.67Å; P282-F285 HydrophobicContact CG-CD1 4.09Å; P282-F285 HydrophobicContact CG-CE1 3.5Å; P282-F285 HydrophobicContact CG-CZ 3.87Å |
| 286 | I | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116.7 | 180 | -57.6 | 155.5 | 0 | 0 | 0 | 107.6 | W48 V172 D174 I193 V267 L268 F271 | W48-I286 HydrophobicContact CH2-CG2 3.61Å; W48-I286 HydrophobicContact CZ2-CG2 4.06Å; W48-I286 HydrophobicContact CZ3-CG2 4.47Å; V172-I286 HydrophobicContact CG1-CG2 4.03Å; D174-I286 HydrophobicContact CB-CG1 4Å; I193-I286 HydrophobicContact CD1-CD1 4.29Å; V267-I286 WeakPolarHBondContact CA-O 3.31Å; L268-I286 HydrophobicContact CB-CB 4.32Å; L268-I286 PolarHBondContact N-O 3.26Å; L268-I286 PolarHBondContact O-N 3.06Å; F271-I286 HydrophobicContact CD1-CD1 3.25Å; F271-I286 HydrophobicContact CE1-CD1 3.23Å; F271-I286 HydrophobicContact CE1-CG1 4.48Å; F271-I286 HydrophobicContact CG-CD1 4.05Å; F271-I286 HydrophobicContact CZ-CD1 4.04Å |
| 287 | H | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.8 | 179.6 | -62 | -115.7 | 0 | 0 | 0 | 108.4 | V172 I173 H175 F251 T252 L255 H265 L289 | V172-H287 WeakPolarHBondContact CA-O 3.24Å; I173-H287 HydrophobicContact CG2-CB 4.02Å; I173-H287 PolarHBondContact N-O 2.9Å; I173-H287 WeakPolarHBondContact O-CA 3.38Å; I173-H287 WeakPolarHBondContact O-CB 3.4Å; I173-H287 PolarHBondContact O-N 2.92Å; H175-H287 AromaticContact CD2-CD2 3.87Å; H175-H287 AromaticContact CD2-NE2 3.45Å; H175-H287 PolarHBondContact CD2-NE2 3.38Å; H175-H287 AromaticContact NE2-NE2 3.15Å; H175-H287 PolarHBondContact NE2-NE2 3.04Å; H175-H287 VanDerWaalsContact NE2-NE2 3.15Å; F251-H287 AromaticContact CD1-CD2 3.99Å; F251-H287 AromaticContact CD1-CE1 3.91Å; F251-H287 AromaticContact CD1-NE2 3.72Å; T252-H287 PolarHBondContact OG1-CE1 2.99Å; L255-H287 HydrophobicContact CD1-CB 3.68Å; L255-H287 VanDerWaalsContact CD1-CG 3.49Å; L255-H287 VanDerWaalsContact CD1-ND1 3.33Å; L255-H287 WeakPolarHBondContact CD1-ND1 3.42Å; H265-H287 AromaticContact CE1-ND1 3.59Å; H265-H287 AromaticContact NE2-CG 3.74Å; H265-H287 AromaticContact NE2-ND1 3.02Å; H265-H287 PolarHBondContact NE2-ND1 2.89Å; H287-L289 HydrophobicContact CB-CD1 3.82Å |
| 288 | V | 98.8 | Very high | 94.8 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.085 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.1 | 171.3 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | W48 L52 L170 L171 V172 S266 L268 | W48-V288 HydrophobicContact CH2-CG2 4.41Å; W48-V288 HydrophobicContact CZ2-CG2 3.98Å; L52-V288 HydrophobicContact CD1-CG1 4.32Å; L52-V288 HydrophobicContact CD2-CG1 4.05Å; L52-V288 HydrophobicContact CD2-CG2 4.03Å; L170-V288 HydrophobicContact CD2-CG1 4.46Å; L171-V288 WeakPolarHBondContact O-CA 3.29Å; V172-V288 HydrophobicContact CG1-CG2 4.49Å; S266-V288 PolarHBondContact N-O 2.68Å; S266-V288 PolarHBondContact O-N 3.18Å; S266-V288 PolarHBondContact OG-O 3.37Å; L268-V288 HydrophobicContact CD1-CG2 4.39Å |
| 289 | L | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.5 | 177.4 | -62 | 90.4 | 0 | 0 | 0 | 109.3 | L170 L171 I173 L255 F259 C263 Q264 H265 H287 | L170-L289 CarbonylContact C-O 3.53Å; L170-L289 VanDerWaalsContact CA-O 3.29Å; L170-L289 WeakPolarHBondContact CA-O 3.41Å; L171-L289 HydrophobicContact CB-CB 4.3Å; L171-L289 HydrophobicContact CD2-CD1 4.32Å; L171-L289 HydrophobicContact CG-CD1 4.5Å; L171-L289 PolarHBondContact N-O 3.03Å; L171-L289 PolarHBondContact O-N 2.69Å; I173-L289 HydrophobicContact CG2-CD1 4.28Å; L255-L289 HydrophobicContact CB-CD1 4.48Å; L255-L289 HydrophobicContact CB-CD2 3.93Å; L255-L289 HydrophobicContact CD1-CD1 4.2Å; L255-L289 HydrophobicContact CD2-CD1 4.42Å; F259-L289 HydrophobicContact CD2-CD2 3.71Å; F259-L289 HydrophobicContact CE2-CB 4.1Å; F259-L289 HydrophobicContact CE2-CD2 3.69Å; F259-L289 HydrophobicContact CE2-CG 4.39Å; F259-L289 HydrophobicContact CZ-CB 4.26Å; C263-L289 HydrophobicContact CB-CD2 4.49Å; Q264-L289 CarbonylContact O-C 3.3Å; Q264-L289 VanDerWaalsContact O-CA 3.25Å; Q264-L289 WeakPolarHBondContact O-CA 3.18Å; H265-L289 HydrophobicContact CB-CD2 4.43Å; H265-L289 HydrophobicContact CB-CG 4.34Å; H287-L289 HydrophobicContact CB-CD1 3.82Å |
| 290 | K | 98.6 | Very high | 94.9 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 30% | 0.304 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.5 | 169.5 | -175.2 | 176.5 | -179.4 | 178.3 | 0 | 108.9 | G168 G169 L170 C263 Q264 T292 | G168-K290 WeakPolarHBondContact O-CE 3.39Å; G169-K290 WeakPolarHBondContact O-CA 3.29Å; L170-K290 HydrophobicContact CD2-CB 3.75Å; L170-K290 HydrophobicContact CD2-CD 4.44Å; L170-K290 HydrophobicContact CD2-CG 3.98Å; C263-K290 CarbonylContact C-O 3.6Å; C263-K290 WeakPolarHBondContact CA-O 3.18Å; C263-K290 WeakPolarHBondContact CB-O 3.44Å; Q264-K290 HydrophobicContact CB-CB 4.3Å; Q264-K290 PolarHBondContact N-O 3.03Å; Q264-K290 PolarHBondContact O-N 3.3Å; K290-T292 PolarHBondContact O-N 3.33Å |
| 291 | K | 98.4 | Very high | 95.1 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 22% | 0.217 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 127.2 | 178.1 | -167.5 | 165.3 | -173.4 | 171.4 | 0 | 109.4 | A162 V165 G168 G169 F259 | A162-K291 PolarHBondContact O-NZ 3.26Å; V165-K291 HydrophobicContact CB-CD 4.16Å; V165-K291 HydrophobicContact CG1-CB 3.98Å; V165-K291 HydrophobicContact CG1-CD 4.24Å; V165-K291 WeakPolarHBondContact O-CD 2.82Å; V165-K291 PolarHBondContact O-NZ 3.07Å; G168-K291 WeakPolarHBondContact CA-O 3.47Å; G168-K291 PolarHBondContact N-O 3.15Å; G169-K291 PolarHBondContact O-N 3.17Å; F259-K291 HydrophobicContact CD1-CB 4.09Å; F259-K291 HydrophobicContact CD1-CD 4.14Å; F259-K291 HydrophobicContact CD1-CG 3.89Å; F259-K291 HydrophobicContact CE1-CB 3.89Å; F259-K291 HydrophobicContact CE1-CD 4.04Å; F259-K291 HydrophobicContact CE1-CG 4.06Å |
| 292 | T | 95.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 31.7 Ų | 31.7 | 32% | 0.319 | 16% | 0.164 | S | C | . | . | trans | -96.7 | 163.1 | 172 | 63.2 | 0 | 0 | 0 | 0 | 109.8 | K262 Q264 K290 | K262-T292 WeakPolarHBondContact CA-OG1 3.13Å; K262-T292 PolarHBondContact O-N 3.21Å; K262-T292 PolarHBondContact O-OG1 2.83Å; Q264-T292 HydrophobicContact CG-CG2 4.11Å; K290-T292 PolarHBondContact O-N 3.33Å | ||
| 293 | D | 79.6 | Confident | 95.6 | Very high | 165 Ų | 165 | 34.3 Ų | 34.3 | 88% | 0.882 | 18% | 0.178 | S | C | * | . | trans | -65.3 | 0 | 176 | -56.8 | -37.6 | 0 | 0 | 0 | 112.5 | P167 K262 | P167-D293 WeakPolarHBondContact CB-OD1 3.14Å; K262-D293 PolarHBondContact NZ-OXT 3.48Å |
Retrieved 293 of 293 residues in 86.8 ms
(Link to these results)