| 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 | 37.9 | Very low | 38 | Very low | 212 Ų | 212 | 115.4 Ų | 115.4 | 100% | 1.044 | 64% | 0.64 | S | S | * | * | 0 | -26.1 | 0 | -80.5 | 172.3 | 164.2 | 0 | 0 | 113.1 | S3 | M1-S3 PolarHBondContact O-N 2.96Š| |||
| 2 | A | 31.3 | Very low | 38.7 | Very low | 86 Ų | 86 | 111.6 Ų | 111.6 | 71% | 0.711 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.8 | -11.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 3 | S | 36 | Very low | 38.9 | Very low | 91 Ų | 91 | 106.9 Ų | 106.9 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -88.7 | -18.8 | -179.4 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | M1 S6 | M1-S3 PolarHBondContact O-N 2.96Å; S3-S6 PolarHBondContact O-OG 3.3Å |
| 4 | T | 38.9 | Very low | 38.8 | Very low | 91 Ų | 91 | 107.1 Ų | 107.1 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -88.7 | -24.1 | -179.6 | -23.6 | 0 | 0 | 0 | 0 | 112.3 | S7 | T4-S7 PolarHBondContact O-OG 3.15Å |
| 5 | E | 38.1 | Very low | 38.7 | Very low | 130 Ų | 130 | 107.9 Ų | 107.9 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.4 | -31.7 | 172.1 | -76.9 | -177.2 | 131 | 0 | 0 | 111.9 | S7 L8 L9 | E5-S7 VanDerWaalsContact C-N 3.31Å; E5-S7 PolarHBondContact O-N 3.12Å; E5-L8 PolarHBondContact O-N 2.82Å; E5-L9 WeakPolarHBondContact O-CB 3.38Å; E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 3.48Å |
| 6 | S | 36.2 | Very low | 38.4 | Very low | 69 Ų | 69 | 111.9 Ų | 111.9 | 48% | 0.483 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.2 | -25.2 | 178.2 | 63.3 | 0 | 0 | 0 | 0 | 114.2 | S3 R10 | S3-S6 PolarHBondContact O-OG 3.3Å; S6-R10 PolarHBondContact O-N 3.04Å |
| 7 | S | 38 | Very low | 38.1 | Very low | 73 Ų | 73 | 108.8 Ų | 108.8 | 51% | 0.51 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -82.6 | -33.3 | 175.3 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | T4 E5 R10 S11 | T4-S7 PolarHBondContact O-OG 3.15Å; E5-S7 VanDerWaalsContact C-N 3.31Å; E5-S7 PolarHBondContact O-N 3.12Å; S7-R10 PolarHBondContact O-N 2.95Å; S7-S11 PolarHBondContact O-N 3.02Å |
| 8 | L | 38.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 59% | 0.586 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.1 | -39.6 | 171.4 | -84.6 | 163.4 | 0 | 0 | 0 | 112 | E5 R10 S11 | E5-L8 PolarHBondContact O-N 2.82Å; L8-R10 VanDerWaalsContact C-N 3.3Å; L8-R10 PolarHBondContact O-N 3.38Å; L8-S11 WeakPolarHBondContact O-CB 3.42Å; L8-S11 PolarHBondContact O-N 3.4Å; L8-S11 VanDerWaalsContact O-N 3.14Å |
| 9 | L | 38.2 | Very low | 38.3 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 61% | 0.607 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.5 | -21.1 | 176.8 | -73.6 | 167.3 | 0 | 0 | 0 | 113.6 | E5 I12 | E5-L9 WeakPolarHBondContact O-CB 3.38Å; E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 3.48Å; L9-I12 VanDerWaalsContact O-O 3.1Å |
| 10 | R | 41.2 | Very low | 38.1 | Very low | 225 Ų | 225 | 109.1 Ų | 109.1 | 85% | 0.849 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.4 | -22.4 | 168.9 | -97.7 | -175.4 | -169.5 | -173.6 | 4.1 | 113.7 | S6 S7 L8 | S6-R10 PolarHBondContact O-N 3.04Å; S7-R10 PolarHBondContact O-N 2.95Å; L8-R10 VanDerWaalsContact C-N 3.3Å; L8-R10 PolarHBondContact O-N 3.38Å |
| 11 | S | 44.3 | Very low | 38.3 | Very low | 64 Ų | 64 | 109.6 Ų | 109.6 | 45% | 0.448 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -77.1 | -13.3 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | S7 L8 | S7-S11 PolarHBondContact O-N 3.02Å; L8-S11 WeakPolarHBondContact O-CB 3.42Å; L8-S11 PolarHBondContact O-N 3.4Å; L8-S11 VanDerWaalsContact O-N 3.14Å |
| 12 | I | 45.8 | Very low | 38.2 | Very low | 70 Ų | 70 | 108.3 Ų | 108.3 | 36% | 0.359 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -129.2 | 86.5 | -174.7 | -51.4 | 174.5 | 0 | 0 | 0 | 106.7 | L9 L14 L25 | L9-I12 VanDerWaalsContact O-O 3.1Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 HydrophobicContact CG2-CG 4.21Å; I12-L14 PolarHBondContact O-N 3.05Å; I12-L25 HydrophobicContact CG2-CD2 4.21Å; I12-L25 HydrophobicContact CG2-CG 4.46Å |
| 13 | G | 41.7 | Very low | 38.6 | Very low | 51 Ų | 51 | 109 Ų | 109 | 53% | 0.526 | 66% | 0.661 | S | S | . | * | trans | -69.5 | 84.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S15 | G13-S15 PolarHBondContact O-N 2.87Š| ||
| 14 | L | 37.4 | Very low | 38.8 | Very low | 110 Ų | 110 | 113.7 Ų | 113.7 | 58% | 0.576 | 67% | 0.672 | S | S | * | * | trans | -74.1 | 111.5 | 174.1 | -79.7 | 158.8 | 0 | 0 | 0 | 110.3 | I12 V23 | I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 HydrophobicContact CG2-CG 4.21Å; I12-L14 PolarHBondContact O-N 3.05Å; L14-V23 HydrophobicContact CD2-CG1 3.98Å | ||
| 15 | S | 37.8 | Very low | 39.3 | Very low | 119 Ų | 119 | 115.1 Ų | 115.1 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | -96.6 | 110 | 164.5 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | G13 G17 | G13-S15 PolarHBondContact O-N 2.87Å; S15-G17 PolarHBondContact O-N 2.82Å | ||
| 16 | L | 32.8 | Very low | 40.4 | Very low | 171 Ų | 171 | 114.1 Ų | 114.1 | 90% | 0.895 | 68% | 0.675 | S | S | * | * | trans | -78 | 99.5 | 175.7 | -89.2 | 128.1 | 0 | 0 | 0 | 110.5 | ||||
| 17 | G | 34.2 | Very low | 42 | Very low | 60 Ų | 60 | 112.6 Ų | 112.6 | 62% | 0.619 | 66% | 0.664 | S | S | * | * | trans | -93.1 | 143 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S15 G19 | S15-G17 PolarHBondContact O-N 2.82Å; G17-G19 PolarHBondContact O-N 2.92Å | ||
| 18 | P | 38.9 | Very low | 43.7 | Very low | 142 Ų | 142 | 116.1 Ų | 116.1 | 92% | 0.922 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -83.5 | 113.1 | -179.8 | 31.4 | -28.8 | 0 | 0 | 0 | 110.9 | ||
| 19 | G | 40.3 | Very low | 45.6 | Very low | 66 Ų | 66 | 114 Ų | 114 | 68% | 0.68 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 113.9 | 126.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G17 | G17-G19 PolarHBondContact O-N 2.92Š|
| 20 | S | 34.9 | Very low | 47.4 | Very low | 124 Ų | 124 | 113.4 Ų | 113.4 | 87% | 0.867 | 65% | 0.649 | S | S | * | * | trans | 76.8 | 114.9 | -178.9 | 71.7 | 0 | 0 | 0 | 0 | 116 | E22 | S20-E22 PolarHBondContact O-N 3.49Š| ||
| 21 | S | 41.7 | Very low | 49.4 | Very low | 119 Ų | 119 | 104.5 Ų | 104.5 | 83% | 0.832 | 62% | 0.617 | S | S | * | * | trans | -83.1 | 84.7 | -171.4 | 43 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 22 | E | 36.3 | Very low | 51.5 | Low | 186 Ų | 186 | 106.2 Ų | 106.2 | 87% | 0.869 | 62% | 0.622 | S | S | * | * | trans | -128.4 | 103.2 | 144.3 | -73.5 | -169.3 | 158.8 | 0 | 0 | 106.2 | S20 E24 | S20-E22 PolarHBondContact O-N 3.49Å; E22-E24 VanDerWaalsContact C-N 3.31Å; E22-E24 PolarHBondContact O-N 3.16Å | ||
| 23 | V | 39.5 | Very low | 53.6 | Low | 101 Ų | 101 | 105.7 Ų | 105.7 | 61% | 0.612 | 62% | 0.617 | S | S | * | * | trans | -74.1 | 95.4 | 171.4 | -178.3 | 0 | 0 | 0 | 0 | 105.8 | L14 L25 | L14-V23 HydrophobicContact CD2-CG1 3.98Å; V23-L25 VanDerWaalsContact C-N 3.27Å; V23-L25 HydrophobicContact CG1-CD1 3.86Å; V23-L25 PolarHBondContact O-N 3.11Å | ||
| 24 | E | 40.2 | Very low | 56 | Low | 189 Ų | 189 | 103.9 Ų | 103.9 | 88% | 0.883 | 60% | 0.595 | S | S | * | * | trans | -62.1 | 93.4 | 166.8 | -134.5 | 177.7 | -176.3 | 0 | 0 | 106.8 | E22 D26 | E22-E24 VanDerWaalsContact C-N 3.31Å; E22-E24 PolarHBondContact O-N 3.16Å; E24-D26 VanDerWaalsContact C-N 3.25Å; E24-D26 PolarHBondContact O-N 3.25Å | ||
| 25 | L | 49 | Very low | 58.7 | Low | 121 Ų | 121 | 100.4 Ų | 100.4 | 63% | 0.634 | 58% | 0.575 | S | S | * | * | trans | -69.7 | 89.3 | 173.3 | -110.4 | 102.4 | 0 | 0 | 0 | 107.5 | I12 V23 C27 | I12-L25 HydrophobicContact CG2-CD2 4.21Å; I12-L25 HydrophobicContact CG2-CG 4.46Å; V23-L25 VanDerWaalsContact C-N 3.27Å; V23-L25 HydrophobicContact CG1-CD1 3.86Å; V23-L25 PolarHBondContact O-N 3.11Å; L25-C27 PolarHBondContact O-N 3.01Å; L25-C27 VanDerWaalsContact O-N 3.1Å | ||
| 26 | D | 60.9 | Low | 61.4 | Low | 108 Ų | 108 | 100.6 Ų | 100.6 | 58% | 0.578 | 57% | 0.565 | S | S | * | * | trans | -64.9 | 112.5 | 175.5 | -160 | 20.6 | 0 | 0 | 0 | 108.5 | E24 W28 | E24-D26 VanDerWaalsContact C-N 3.25Å; E24-D26 PolarHBondContact O-N 3.25Å; D26-W28 PolarHBondContact O-N 3.23Å; D26-W28 VanDerWaalsContact O-N 3.16Å; D26-W28 PolarHBondContact OD2-NE1 3.03Å | ||
| 27 | C | 71 | Confident | 64.4 | Low | 37 Ų | 37 | 95.3 Ų | 95.3 | 25% | 0.25 | 54% | 0.537 | C | S | . | . | trans | -75.4 | 105.2 | -176 | -179 | 0 | 0 | 0 | 0 | 110 | L25 C278 | L25-C27 PolarHBondContact O-N 3.01Å; L25-C27 VanDerWaalsContact O-N 3.1Å; C27-C278 WeakPolarHBondContact CA-SG 3.31Å; C27-C278 HydrophobicContact CB-CB 3.87Å; C27-C278 WeakPolarHBondContact CB-SG 3.26Å; C27-C278 VanDerWaalsContact SG-CA 3.54Å; C27-C278 WeakPolarHBondContact SG-CB 3.36Å; C27-C278 CovalentContact SG-SG 2.04Å; C27-C278 PolarHBondContact SG-SG 3.38Å | ||
| 28 | W | 73.4 | Confident | 67.3 | Low | 148 Ų | 148 | 92.4 Ų | 92.4 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | trans | -86.8 | 117.6 | 178.1 | -86.1 | 76.5 | 0 | 0 | 0 | 111.9 | D26 | D26-W28 PolarHBondContact O-N 3.23Å; D26-W28 VanDerWaalsContact O-N 3.16Å; D26-W28 PolarHBondContact OD2-NE1 3.03Å | ||
| 29 | F | 79.2 | Confident | 70.1 | Confident | 66 Ų | 66 | 86.3 Ų | 86.3 | 29% | 0.289 | 47% | 0.468 | S | S | . | . | trans | -84.4 | 129.8 | 173.5 | -65.2 | -82.6 | 0 | 0 | 0 | 111 | E31 L281 N282 N285 | F29-E31 HydrophobicContact CB-CG 3.56Å; F29-E31 WeakPolarHBondContact CB-OE1 3.25Å; F29-E31 PolarHBondContact O-N 3.45Å; F29-L281 HydrophobicContact CE1-CB 4.27Å; F29-L281 HydrophobicContact CE1-CD2 4.26Å; F29-L281 HydrophobicContact CE1-CG 3.83Å; F29-L281 HydrophobicContact CZ-CB 4.47Å; F29-L281 HydrophobicContact CZ-CD2 3.67Å; F29-L281 HydrophobicContact CZ-CG 3.75Å; F29-N282 HydrophobicContact CD1-CB 4.02Å; F29-N282 HydrophobicContact CE1-CB 4.33Å; F29-N285 HydrophobicContact CD1-CB 4.02Å; F29-N285 WeakPolarHBondContact CD1-ND2 3.36Å; F29-N285 HydrophobicContact CE1-CB 4.01Å | ||
| 30 | D | 75.6 | Confident | 72.8 | Confident | 104 Ų | 104 | 87.2 Ų | 87.2 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | trans | -81 | 102.9 | 169.1 | -177 | 0.3 | 0 | 0 | 0 | 109 | F33 N282 | D30-F33 WeakPolarHBondContact O-CE1 3.5Å; D30-N282 PolarHBondContact N-OD1 3.18Å | ||
| 31 | E | 83.6 | Confident | 75.8 | Confident | 38 Ų | 38 | 82.7 Ų | 82.7 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | trans | -123.3 | 7 | -172.8 | -54.8 | -163 | 167 | 0 | 0 | 113.9 | F29 F33 K34 N285 K289 | F29-E31 HydrophobicContact CB-CG 3.56Å; F29-E31 WeakPolarHBondContact CB-OE1 3.25Å; F29-E31 PolarHBondContact O-N 3.45Å; E31-F33 PolarHBondContact O-N 2.87Å; E31-K34 HydrophobicContact CB-CD 3.96Å; E31-K34 WeakPolarHBondContact O-CB 3.44Å; E31-K34 WeakPolarHBondContact O-CD 3.45Å; E31-K34 WeakPolarHBondContact O-CE 3.49Å; E31-K34 WeakPolarHBondContact O-CG 3.09Å; E31-K34 PolarHBondContact O-N 3.45Å; E31-K34 VanDerWaalsContact O-N 3.09Å; E31-K34 IonicContact OE2-NZ 2.67Å; E31-K34 PolarHBondContact OE2-NZ 2.97Å; E31-N285 PolarHBondContact OE1-ND2 2.72Å; E31-K289 IonicContact OE1-NZ 3.14Å; E31-K289 PolarHBondContact OE1-NZ 3.04Å; E31-K289 IonicContact OE2-NZ 2.63Å; E31-K289 PolarHBondContact OE2-NZ 3.43Å | ||
| 32 | D | 87.3 | Confident | 78.5 | Confident | 100 Ų | 100 | 77 Ų | 77 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -30.8 | -173.5 | -83.7 | -11.9 | 0 | 0 | 0 | 112.1 | K34 F35 | D32-K34 PolarHBondContact O-N 3.26Å; D32-K34 VanDerWaalsContact O-N 3.1Å; D32-F35 WeakPolarHBondContact O-CD2 3.46Å; D32-F35 PolarHBondContact O-N 3.34Å; D32-F35 VanDerWaalsContact O-N 3.13Å; D32-F35 WeakPolarHBondContact OD1-CE2 3.46Å |
| 33 | F | 90.6 | Very high | 81.5 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 26% | 0.263 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -30.4 | 175.3 | 75.3 | -86.7 | 0 | 0 | 0 | 112.7 | D30 E31 F35 I36 L37 V286 K289 V290 | D30-F33 WeakPolarHBondContact O-CE1 3.5Å; E31-F33 PolarHBondContact O-N 2.87Å; F33-F35 PolarHBondContact O-N 2.99Å; F33-I36 PolarHBondContact O-N 3.43Å; F33-L37 HydrophobicContact CD2-CB 4.36Å; F33-L37 HydrophobicContact CD2-CD2 3.89Å; F33-L37 HydrophobicContact CE2-CD2 3.99Å; F33-L37 VanDerWaalsContact O-CB 3.3Å; F33-L37 WeakPolarHBondContact O-CB 3.28Å; F33-L37 PolarHBondContact O-N 2.97Å; F33-V286 HydrophobicContact CE1-CB 4.29Å; F33-V286 HydrophobicContact CE1-CG1 4.02Å; F33-V286 HydrophobicContact CE1-CG2 3.86Å; F33-V286 HydrophobicContact CZ-CB 4.24Å; F33-V286 HydrophobicContact CZ-CG1 3.89Å; F33-V286 HydrophobicContact CZ-CG2 4.29Å; F33-K289 HydrophobicContact CE2-CB 4.18Å; F33-K289 HydrophobicContact CZ-CB 3.93Å; F33-K289 HydrophobicContact CZ-CD 4.37Å; F33-V290 HydrophobicContact CD2-CG2 4.42Å; F33-V290 HydrophobicContact CE2-CG2 3.76Å; F33-V290 HydrophobicContact CZ-CG2 4.43Å |
| 34 | K | 92.1 | Very high | 84.2 | Confident | 13 Ų | 13 | 68.6 Ų | 68.6 | 6% | 0.057 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.4 | -28 | -176.5 | 88.7 | -166.4 | 158.4 | -166.7 | 0 | 112.1 | E31 D32 I36 L38 P39 Y95 N99 K289 | E31-K34 HydrophobicContact CB-CD 3.96Å; E31-K34 WeakPolarHBondContact O-CB 3.44Å; E31-K34 WeakPolarHBondContact O-CD 3.45Å; E31-K34 WeakPolarHBondContact O-CE 3.49Å; E31-K34 WeakPolarHBondContact O-CG 3.09Å; E31-K34 PolarHBondContact O-N 3.45Å; E31-K34 VanDerWaalsContact O-N 3.09Å; E31-K34 IonicContact OE2-NZ 2.67Å; E31-K34 PolarHBondContact OE2-NZ 2.97Å; D32-K34 PolarHBondContact O-N 3.26Å; D32-K34 VanDerWaalsContact O-N 3.1Å; K34-I36 PolarHBondContact O-N 3.25Å; K34-L38 HydrophobicContact CB-CD1 3.87Å; K34-L38 HydrophobicContact CB-CG 4.23Å; K34-L38 HydrophobicContact CG-CD1 4.42Å; K34-L38 WeakPolarHBondContact O-CB 3.39Å; K34-L38 PolarHBondContact O-N 3.29Å; K34-L38 VanDerWaalsContact O-N 3.08Å; K34-P39 VanDerWaalsContact O-CD 3.32Å; K34-P39 WeakPolarHBondContact O-CD 3.45Å; K34-Y95 HydrophobicContact CG-CD1 4.25Å; K34-N99 VanDerWaalsContact CE-ND2 3.27Å; K34-N99 WeakPolarHBondContact CE-ND2 3.07Å; K34-N99 PolarHBondContact NZ-ND2 2.91Å; K34-K289 HydrophobicContact CD-CD 4.36Å |
| 35 | F | 94 | Very high | 87 | Confident | 36 Ų | 36 | 60 Ų | 60 | 16% | 0.158 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.2 | -12.2 | -179.3 | -56.6 | -46.2 | 0 | 0 | 0 | 113.1 | D32 F33 P39 Y95 R98 N99 | D32-F35 WeakPolarHBondContact O-CD2 3.46Å; D32-F35 PolarHBondContact O-N 3.34Å; D32-F35 VanDerWaalsContact O-N 3.13Å; D32-F35 WeakPolarHBondContact OD1-CE2 3.46Å; F33-F35 PolarHBondContact O-N 2.99Å; F35-P39 WeakPolarHBondContact O-CG 3.43Å; F35-Y95 VanDerWaalsContact CD1-O 3.24Å; F35-Y95 WeakPolarHBondContact CD1-O 3.33Å; F35-R98 HydrophobicContact CD1-CB 4.43Å; F35-R98 HydrophobicContact CD1-CG 4.45Å; F35-R98 HydrophobicContact CD2-CG 4.28Å; F35-R98 VanDerWaalsContact CE1-CA 3.43Å; F35-R98 HydrophobicContact CE1-CB 4.11Å; F35-R98 HydrophobicContact CE2-CB 4.49Å; F35-R98 HydrophobicContact CE2-CG 4.37Å; F35-R98 HydrophobicContact CG-CG 4.31Å; F35-R98 HydrophobicContact CZ-CB 4.13Å; F35-R98 HydrophobicContact CZ-CG 4.47Å; F35-N99 HydrophobicContact CE1-CB 4.4Å |
| 36 | I | 94.6 | Very high | 89.3 | Confident | 124 Ų | 124 | 57 Ų | 57 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -110.2 | -50.5 | 172.7 | -59.2 | 174.6 | 0 | 0 | 0 | 109.5 | F33 K34 L38 P39 V40 | F33-I36 PolarHBondContact O-N 3.43Å; K34-I36 PolarHBondContact O-N 3.25Å; I36-L38 PolarHBondContact O-N 2.97Å; I36-P39 WeakPolarHBondContact O-CD 3.49Å; I36-V40 HydrophobicContact CG2-CG2 4.33Å; I36-V40 WeakPolarHBondContact O-CB 3.26Å; I36-V40 VanDerWaalsContact O-CG2 3.24Å; I36-V40 WeakPolarHBondContact O-CG2 3.48Å; I36-V40 PolarHBondContact O-N 3.41Å; I36-V40 VanDerWaalsContact O-N 3.16Å |
| 37 | L | 95.2 | Very high | 91 | Very high | 59 Ų | 59 | 56.5 Ų | 56.5 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -48.9 | -175.3 | 179 | 65.7 | 0 | 0 | 0 | 112.1 | F33 S41 V290 | F33-L37 HydrophobicContact CD2-CB 4.36Å; F33-L37 HydrophobicContact CD2-CD2 3.89Å; F33-L37 HydrophobicContact CE2-CD2 3.99Å; F33-L37 VanDerWaalsContact O-CB 3.3Å; F33-L37 WeakPolarHBondContact O-CB 3.28Å; F33-L37 PolarHBondContact O-N 2.97Å; L37-S41 VanDerWaalsContact O-CB 3.24Å; L37-S41 WeakPolarHBondContact O-CB 3.27Å; L37-S41 PolarHBondContact O-N 2.94Å; L37-S41 PolarHBondContact O-OG 3.42Å; L37-V290 HydrophobicContact CD2-CB 4.34Å; L37-V290 HydrophobicContact CD2-CG2 3.82Å |
| 38 | L | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.5 | -46.9 | -173.3 | -60.2 | 177.7 | 0 | 0 | 0 | 112.4 | K34 I36 V40 S41 Y42 Y95 P293 | K34-L38 HydrophobicContact CB-CD1 3.87Å; K34-L38 HydrophobicContact CB-CG 4.23Å; K34-L38 HydrophobicContact CG-CD1 4.42Å; K34-L38 WeakPolarHBondContact O-CB 3.39Å; K34-L38 PolarHBondContact O-N 3.29Å; K34-L38 VanDerWaalsContact O-N 3.08Å; I36-L38 PolarHBondContact O-N 2.97Å; L38-V40 PolarHBondContact O-N 3.31Å; L38-S41 PolarHBondContact O-N 3.36Å; L38-Y42 HydrophobicContact CB-CD2 4.28Å; L38-Y42 HydrophobicContact CB-CE2 4.01Å; L38-Y42 HydrophobicContact CD2-CE2 4.46Å; L38-Y42 VanDerWaalsContact O-CB 3.3Å; L38-Y42 WeakPolarHBondContact O-CB 3.2Å; L38-Y42 VanDerWaalsContact O-CD2 3.25Å; L38-Y42 WeakPolarHBondContact O-CD2 3.44Å; L38-Y42 VanDerWaalsContact O-CG 3.25Å; L38-Y42 PolarHBondContact O-N 3.04Å; L38-Y95 HydrophobicContact CB-CD1 4.28Å; L38-Y95 HydrophobicContact CB-CD2 3.74Å; L38-Y95 HydrophobicContact CB-CE2 4.27Å; L38-Y95 HydrophobicContact CB-CG 3.79Å; L38-Y95 HydrophobicContact CD1-CD1 3.53Å; L38-Y95 HydrophobicContact CD1-CD2 3.99Å; L38-Y95 HydrophobicContact CD1-CE1 3.29Å; L38-Y95 HydrophobicContact CD1-CE2 3.85Å; L38-Y95 HydrophobicContact CD1-CG 3.87Å; L38-Y95 VanDerWaalsContact CD1-CZ 3.49Å; L38-Y95 HydrophobicContact CG-CG 4.48Å; L38-P293 HydrophobicContact CD2-CG 3.6Å |
| 39 | P | 97.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 52 Ų | 52 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 174.9 | -28.2 | 37.2 | 0 | 0 | 0 | 113.1 | K34 F35 I36 Y42 A43 I92 A96 | K34-P39 VanDerWaalsContact O-CD 3.32Å; K34-P39 WeakPolarHBondContact O-CD 3.45Å; F35-P39 WeakPolarHBondContact O-CG 3.43Å; I36-P39 WeakPolarHBondContact O-CD 3.49Å; P39-Y42 PolarHBondContact O-N 2.8Å; P39-A43 WeakPolarHBondContact O-CB 3.3Å; P39-A43 PolarHBondContact O-N 3.15Å; P39-I92 HydrophobicContact CB-CG2 4.22Å; P39-A96 HydrophobicContact CB-CB 4.42Å; P39-A96 HydrophobicContact CG-CB 4.17Å |
| 40 | V | 97.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | -179.6 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | I36 L38 Y42 A43 V44 | I36-V40 HydrophobicContact CG2-CG2 4.33Å; I36-V40 WeakPolarHBondContact O-CB 3.26Å; I36-V40 VanDerWaalsContact O-CG2 3.24Å; I36-V40 WeakPolarHBondContact O-CG2 3.48Å; I36-V40 PolarHBondContact O-N 3.41Å; I36-V40 VanDerWaalsContact O-N 3.16Å; L38-V40 PolarHBondContact O-N 3.31Å; V40-Y42 PolarHBondContact O-N 2.93Å; V40-A43 PolarHBondContact O-N 3.43Å; V40-V44 WeakPolarHBondContact O-CG2 3.47Å; V40-V44 PolarHBondContact O-N 3.41Å |
| 41 | S | 97.6 | Very high | 94.9 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | -178.4 | -51.4 | 0 | 0 | 0 | 0 | 111.9 | L37 L38 V44 V45 | L37-S41 VanDerWaalsContact O-CB 3.24Å; L37-S41 WeakPolarHBondContact O-CB 3.27Å; L37-S41 PolarHBondContact O-N 2.94Å; L37-S41 PolarHBondContact O-OG 3.42Å; L38-S41 PolarHBondContact O-N 3.36Å; S41-V44 PolarHBondContact O-N 3.18Å; S41-V45 WeakPolarHBondContact O-CG2 3.34Å; S41-V45 PolarHBondContact O-N 2.92Å |
| 42 | Y | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.2 | -32.7 | 177.2 | -66.8 | -28.9 | 0 | 0 | 0 | 112.8 | L38 P39 V40 V45 F46 L88 L91 Y95 R292 S296 | L38-Y42 HydrophobicContact CB-CD2 4.28Å; L38-Y42 HydrophobicContact CB-CE2 4.01Å; L38-Y42 HydrophobicContact CD2-CE2 4.46Å; L38-Y42 VanDerWaalsContact O-CB 3.3Å; L38-Y42 WeakPolarHBondContact O-CB 3.2Å; L38-Y42 VanDerWaalsContact O-CD2 3.25Å; L38-Y42 WeakPolarHBondContact O-CD2 3.44Å; L38-Y42 VanDerWaalsContact O-CG 3.25Å; L38-Y42 PolarHBondContact O-N 3.04Å; P39-Y42 PolarHBondContact O-N 2.8Å; V40-Y42 PolarHBondContact O-N 2.93Å; Y42-V45 PolarHBondContact O-N 3.03Å; Y42-F46 VanDerWaalsContact O-CB 3.25Å; Y42-F46 WeakPolarHBondContact O-CB 3.44Å; Y42-F46 PolarHBondContact O-N 3.15Å; Y42-L88 HydrophobicContact CD1-CD2 4.03Å; Y42-L88 HydrophobicContact CG-CD2 4.06Å; Y42-L91 HydrophobicContact CD2-CB 4.03Å; Y42-L91 HydrophobicContact CE2-CB 4.21Å; Y42-L91 HydrophobicContact CE2-CD1 4.39Å; Y42-Y95 HydrophobicContact CD2-CD2 4.26Å; Y42-Y95 HydrophobicContact CD2-CE2 4.43Å; Y42-Y95 AromaticContact CE2-CD2 3.92Å; Y42-Y95 HydrophobicContact CE2-CD2 3.92Å; Y42-Y95 AromaticContact CE2-CE2 3.69Å; Y42-Y95 HydrophobicContact CE2-CE2 3.69Å; Y42-R292 PolarHBondContact OH-NH2 3.36Å; Y42-S296 WeakPolarHBondContact CE1-OG 3.43Å |
| 43 | A | 98.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 45 Ų | 45 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P39 V40 F46 V47 I92 | P39-A43 WeakPolarHBondContact O-CB 3.3Å; P39-A43 PolarHBondContact O-N 3.15Å; V40-A43 PolarHBondContact O-N 3.43Å; A43-F46 PolarHBondContact O-N 3.4Å; A43-V47 WeakPolarHBondContact O-CG2 3.22Å; A43-V47 PolarHBondContact O-N 2.68Å; A43-I92 HydrophobicContact CB-CD1 4.03Å |
| 44 | V | 97.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 44.1 Ų | 44.1 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 173.8 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | V40 S41 F46 V47 L48 | V40-V44 WeakPolarHBondContact O-CG2 3.47Å; V40-V44 PolarHBondContact O-N 3.41Å; S41-V44 PolarHBondContact O-N 3.18Å; V44-F46 VanDerWaalsContact C-N 3.31Å; V44-F46 PolarHBondContact O-N 3.36Å; V44-V47 PolarHBondContact O-N 3.46Å; V44-L48 HydrophobicContact CG1-CD1 3.7Å; V44-L48 HydrophobicContact CG1-CG 4.3Å; V44-L48 WeakPolarHBondContact O-CB 3.13Å; V44-L48 WeakPolarHBondContact O-CG 3.39Å; V44-L48 PolarHBondContact O-N 3.38Å |
| 45 | V | 97.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 177.7 | 174 | 0 | 0 | 0 | 0 | 111.6 | S41 Y42 G49 V85 L88 S296 | S41-V45 WeakPolarHBondContact O-CG2 3.34Å; S41-V45 PolarHBondContact O-N 2.92Å; Y42-V45 PolarHBondContact O-N 3.03Å; V45-G49 VanDerWaalsContact O-CA 3.23Å; V45-G49 WeakPolarHBondContact O-CA 3.21Å; V45-G49 PolarHBondContact O-N 3.37Å; V45-V85 HydrophobicContact CG1-CG1 4.29Å; V45-L88 HydrophobicContact CB-CD1 4.01Å; V45-L88 HydrophobicContact CG1-CD1 3.65Å; V45-S296 VanDerWaalsContact CG1-O 3.28Å; V45-S296 WeakPolarHBondContact CG1-O 3.44Å |
| 46 | F | 98.1 | Very high | 95.5 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 25% | 0.25 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -52.7 | 176.9 | 171.4 | -112.1 | 0 | 0 | 0 | 111.5 | Y42 A43 V44 L50 V85 L88 P89 I92 | Y42-F46 VanDerWaalsContact O-CB 3.25Å; Y42-F46 WeakPolarHBondContact O-CB 3.44Å; Y42-F46 PolarHBondContact O-N 3.15Å; A43-F46 PolarHBondContact O-N 3.4Å; V44-F46 VanDerWaalsContact C-N 3.31Å; V44-F46 PolarHBondContact O-N 3.36Å; F46-L50 HydrophobicContact CE2-CD2 3.99Å; F46-L50 HydrophobicContact CZ-CD2 3.98Å; F46-L50 WeakPolarHBondContact O-CB 3.37Å; F46-L50 PolarHBondContact O-N 3.29Å; F46-V85 VanDerWaalsContact CD2-O 3.23Å; F46-V85 WeakPolarHBondContact CD2-O 3.21Å; F46-L88 HydrophobicContact CB-CB 4.23Å; F46-L88 HydrophobicContact CB-CD1 4.08Å; F46-P89 HydrophobicContact CD2-CG 4.15Å; F46-P89 HydrophobicContact CE2-CG 3.87Å; F46-P89 HydrophobicContact CZ-CG 4.11Å; F46-I92 HydrophobicContact CB-CD1 4.37Å |
| 47 | V | 97.7 | Very high | 95.5 | Very high | 99 Ų | 99 | 39.8 Ų | 39.8 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.1 | -50.9 | -177.6 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | A43 V44 G51 | A43-V47 WeakPolarHBondContact O-CG2 3.22Å; A43-V47 PolarHBondContact O-N 2.68Å; V44-V47 PolarHBondContact O-N 3.46Å; V47-G51 PolarHBondContact O-N 2.88Å |
| 48 | L | 96.1 | Very high | 95.4 | Very high | 89 Ų | 89 | 42.3 Ų | 42.3 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68 | -47.1 | -179.1 | -65.5 | -179 | 0 | 0 | 0 | 111.4 | V44 G51 L52 C300 | V44-L48 HydrophobicContact CG1-CD1 3.7Å; V44-L48 HydrophobicContact CG1-CG 4.3Å; V44-L48 WeakPolarHBondContact O-CB 3.13Å; V44-L48 WeakPolarHBondContact O-CG 3.39Å; V44-L48 PolarHBondContact O-N 3.38Å; L48-G51 PolarHBondContact O-N 2.9Å; L48-L52 VanDerWaalsContact O-CB 3.29Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 WeakPolarHBondContact O-CD1 3.43Å; L48-L52 WeakPolarHBondContact O-CG 3.34Å; L48-L52 PolarHBondContact O-N 3.42Å; L48-C300 HydrophobicContact CB-CB 4.43Å |
| 49 | G | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V45 L52 N53 | V45-G49 VanDerWaalsContact O-CA 3.23Å; V45-G49 WeakPolarHBondContact O-CA 3.21Å; V45-G49 PolarHBondContact O-N 3.37Å; G49-L52 PolarHBondContact O-N 2.83Å; G49-N53 VanDerWaalsContact O-CB 3.25Å; G49-N53 WeakPolarHBondContact O-CB 3.45Å; G49-N53 PolarHBondContact O-N 3.34Å; G49-N53 PolarHBondContact O-ND2 2.95Å |
| 50 | L | 95.4 | Very high | 94.8 | Very high | 53 Ų | 53 | 42.1 Ų | 42.1 | 28% | 0.277 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67 | -44.1 | 175.9 | -171.7 | 64.8 | 0 | 0 | 0 | 111.3 | F46 L52 A54 V85 L86 | F46-L50 HydrophobicContact CE2-CD2 3.99Å; F46-L50 HydrophobicContact CZ-CD2 3.98Å; F46-L50 WeakPolarHBondContact O-CB 3.37Å; F46-L50 PolarHBondContact O-N 3.29Å; L50-L52 VanDerWaalsContact C-N 3.25Å; L50-L52 PolarHBondContact O-N 3.18Å; L50-A54 HydrophobicContact CD1-CB 4.3Å; L50-A54 VanDerWaalsContact O-CB 3.28Å; L50-A54 WeakPolarHBondContact O-CB 3.43Å; L50-A54 PolarHBondContact O-N 3.42Å; L50-V85 HydrophobicContact CB-CG2 4.3Å; L50-V85 HydrophobicContact CD1-CG2 4.42Å; L50-L86 HydrophobicContact CD1-CD2 4.05Å |
| 51 | G | 94.2 | Very high | 94.4 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 50% | 0.495 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63 | -27 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V47 L48 P55 | V47-G51 PolarHBondContact O-N 2.88Å; L48-G51 PolarHBondContact O-N 2.9Å; G51-P55 WeakPolarHBondContact O-CD 3.32Å; G51-P55 VanDerWaalsContact O-CG 3.22Å; G51-P55 WeakPolarHBondContact O-CG 3.31Å |
| 52 | L | 92.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -93.4 | -43.4 | 177.7 | -67.3 | 169 | 0 | 0 | 0 | 112.8 | L48 G49 L50 T56 C300 P303 | L48-L52 VanDerWaalsContact O-CB 3.29Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 WeakPolarHBondContact O-CD1 3.43Å; L48-L52 WeakPolarHBondContact O-CG 3.34Å; L48-L52 PolarHBondContact O-N 3.42Å; G49-L52 PolarHBondContact O-N 2.83Å; L50-L52 VanDerWaalsContact C-N 3.25Å; L50-L52 PolarHBondContact O-N 3.18Å; L52-T56 WeakPolarHBondContact O-CB 3.48Å; L52-T56 PolarHBondContact O-N 3.24Å; L52-T56 PolarHBondContact O-OG1 2.94Å; L52-C300 WeakPolarHBondContact CD1-O 3.18Å; L52-P303 HydrophobicContact CB-CB 3.71Å; L52-P303 HydrophobicContact CB-CG 3.67Å; L52-P303 HydrophobicContact CD1-CB 4.34Å; L52-P303 HydrophobicContact CD1-CG 4.49Å; L52-P303 HydrophobicContact CG-CB 4.42Å |
| 53 | N | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -80.3 | -36.9 | -173.6 | -70.5 | -71.1 | 0 | 0 | 0 | 113.4 | G49 T56 L57 T82 S299 P303 | G49-N53 VanDerWaalsContact O-CB 3.25Å; G49-N53 WeakPolarHBondContact O-CB 3.45Å; G49-N53 PolarHBondContact O-N 3.34Å; G49-N53 PolarHBondContact O-ND2 2.95Å; N53-T56 WeakPolarHBondContact O-CB 3.24Å; N53-T56 PolarHBondContact O-N 3.27Å; N53-L57 WeakPolarHBondContact O-CG 3.32Å; N53-L57 PolarHBondContact O-N 3.41Å; N53-T82 VanDerWaalsContact CB-OG1 3.31Å; N53-T82 WeakPolarHBondContact CB-OG1 3.25Å; N53-S299 PolarHBondContact ND2-O 3.28Å; N53-P303 WeakPolarHBondContact OD1-CG 3.26Å |
| 54 | A | 93.1 | Very high | 92.9 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 35% | 0.347 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L50 T56 L57 W58 | L50-A54 HydrophobicContact CD1-CB 4.3Å; L50-A54 VanDerWaalsContact O-CB 3.28Å; L50-A54 WeakPolarHBondContact O-CB 3.43Å; L50-A54 PolarHBondContact O-N 3.42Å; A54-T56 VanDerWaalsContact C-N 3.29Å; A54-T56 PolarHBondContact O-N 3.32Å; A54-L57 PolarHBondContact O-N 3.1Å; A54-W58 PolarHBondContact O-N 3.26Å |
| 55 | P | 90.8 | Very high | 92.3 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -35 | 172.4 | -24.1 | 36.7 | 0 | 0 | 0 | 112.9 | G51 W58 L59 | G51-P55 WeakPolarHBondContact O-CD 3.32Å; G51-P55 VanDerWaalsContact O-CG 3.22Å; G51-P55 WeakPolarHBondContact O-CG 3.31Å; P55-W58 PolarHBondContact O-N 3.02Å; P55-L59 WeakPolarHBondContact O-CB 3.33Å; P55-L59 WeakPolarHBondContact O-CG 3.43Å; P55-L59 PolarHBondContact O-N 3.41Å |
| 56 | T | 89.6 | Confident | 91.8 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 175.9 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | L52 N53 A54 W58 L59 F60 A78 Y306 Y313 | L52-T56 WeakPolarHBondContact O-CB 3.48Å; L52-T56 PolarHBondContact O-N 3.24Å; L52-T56 PolarHBondContact O-OG1 2.94Å; N53-T56 WeakPolarHBondContact O-CB 3.24Å; N53-T56 PolarHBondContact O-N 3.27Å; A54-T56 VanDerWaalsContact C-N 3.29Å; A54-T56 PolarHBondContact O-N 3.32Å; T56-W58 VanDerWaalsContact C-N 3.34Å; T56-W58 PolarHBondContact O-N 2.89Å; T56-L59 PolarHBondContact O-N 3.09Å; T56-F60 HydrophobicContact CG2-CD2 3.68Å; T56-F60 HydrophobicContact CG2-CE2 3.46Å; T56-F60 VanDerWaalsContact CG2-CE2 3.46Å; T56-F60 WeakPolarHBondContact O-CD2 3.23Å; T56-F60 PolarHBondContact O-N 3.04Å; T56-A78 HydrophobicContact CG2-CB 4.03Å; T56-Y306 HydrophobicContact CG2-CD2 3.51Å; T56-Y306 HydrophobicContact CG2-CE2 3.63Å; T56-Y313 HydrophobicContact CG2-CE2 4.22Å; T56-Y313 PolarHBondContact OG1-OH 3.33Å |
| 57 | L | 93.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 176.4 | -73.6 | 175.7 | 0 | 0 | 0 | 111.5 | N53 A54 L59 F60 I61 F75 A78 L79 T82 | N53-L57 WeakPolarHBondContact O-CG 3.32Å; N53-L57 PolarHBondContact O-N 3.41Å; A54-L57 PolarHBondContact O-N 3.1Å; L57-L59 PolarHBondContact O-N 2.91Å; L57-F60 PolarHBondContact O-N 3.38Å; L57-I61 VanDerWaalsContact O-CG1 3.27Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 2.73Å; L57-F75 HydrophobicContact CD2-CD2 3.71Å; L57-F75 HydrophobicContact CD2-CE2 3.57Å; L57-F75 HydrophobicContact CD2-CZ 4.3Å; L57-A78 HydrophobicContact CD2-CB 3.87Å; L57-A78 HydrophobicContact CG-CB 4.11Å; L57-L79 HydrophobicContact CD2-CB 4.23Å; L57-T82 HydrophobicContact CD1-CG2 4.12Å; L57-T82 VanDerWaalsContact CD1-OG1 3.26Å; L57-T82 WeakPolarHBondContact CD1-OG1 3.39Å |
| 58 | W | 93.1 | Very high | 90.8 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 175.9 | -177.5 | 90.3 | 0 | 0 | 0 | 111.8 | A54 P55 T56 F60 I61 F62 R63 L320 | A54-W58 PolarHBondContact O-N 3.26Å; P55-W58 PolarHBondContact O-N 3.02Å; T56-W58 VanDerWaalsContact C-N 3.34Å; T56-W58 PolarHBondContact O-N 2.89Å; W58-F60 PolarHBondContact O-N 3.37Å; W58-I61 PolarHBondContact O-N 3.04Å; W58-F62 AromaticContact CD1-CD2 3.39Å; W58-F62 AromaticContact CD1-CE2 3.53Å; W58-F62 HydrophobicContact CD2-CD2 4.16Å; W58-F62 AromaticContact CE2-CD2 3.96Å; W58-F62 AromaticContact CG-CD2 3.82Å; W58-F62 HydrophobicContact CG-CD2 3.82Å; W58-F62 HydrophobicContact CG-CE2 4.28Å; W58-F62 AromaticContact NE1-CD2 3.45Å; W58-F62 AromaticContact NE1-CE2 3.78Å; W58-F62 VanDerWaalsContact O-CD2 3.25Å; W58-F62 WeakPolarHBondContact O-CD2 3.47Å; W58-F62 PolarHBondContact O-N 3.4Å; W58-R63 HydrophobicContact CH2-CG 4.25Å; W58-R63 HydrophobicContact CZ3-CG 4.02Å; W58-L320 HydrophobicContact CH2-CD2 4.48Å; W58-L320 HydrophobicContact CZ3-CD1 3.91Å |
| 59 | L | 90.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.1 | -79.9 | 172.9 | 0 | 0 | 0 | 112.4 | P55 T56 L57 R63 L64 Y313 Q316 L320 | P55-L59 WeakPolarHBondContact O-CB 3.33Å; P55-L59 WeakPolarHBondContact O-CG 3.43Å; P55-L59 PolarHBondContact O-N 3.41Å; T56-L59 PolarHBondContact O-N 3.09Å; L57-L59 PolarHBondContact O-N 2.91Å; L59-R63 HydrophobicContact CD2-CB 3.98Å; L59-R63 HydrophobicContact CD2-CG 4Å; L59-R63 CarbonylContact O-C 2.9Å; L59-R63 WeakPolarHBondContact O-CA 3.37Å; L59-R63 WeakPolarHBondContact O-CB 3.48Å; L59-R63 PolarHBondContact O-N 3.11Å; L59-L64 HydrophobicContact CB-CD1 4.09Å; L59-L64 WeakPolarHBondContact O-CG 3.5Å; L59-L64 PolarHBondContact O-N 3.3Å; L59-Y313 HydrophobicContact CB-CE2 4.3Å; L59-Y313 HydrophobicContact CD1-CD2 4.12Å; L59-Y313 HydrophobicContact CD1-CE2 3.43Å; L59-Y313 VanDerWaalsContact CD1-CE2 3.43Å; L59-Q316 HydrophobicContact CD2-CB 4.25Å; L59-L320 HydrophobicContact CD2-CD1 3.6Å |
| 60 | F | 89.9 | Confident | 89.9 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 177.5 | -83.3 | -64.7 | 0 | 0 | 0 | 112.1 | T56 L57 W58 L64 W67 A71 M74 F75 | T56-F60 HydrophobicContact CG2-CD2 3.68Å; T56-F60 HydrophobicContact CG2-CE2 3.46Å; T56-F60 VanDerWaalsContact CG2-CE2 3.46Å; T56-F60 WeakPolarHBondContact O-CD2 3.23Å; T56-F60 PolarHBondContact O-N 3.04Å; L57-F60 PolarHBondContact O-N 3.38Å; W58-F60 PolarHBondContact O-N 3.37Å; F60-L64 HydrophobicContact CD1-CB 4.24Å; F60-L64 HydrophobicContact CD1-CD1 3.87Å; F60-L64 HydrophobicContact CE1-CD1 3.98Å; F60-L64 HydrophobicContact CG-CD1 4.29Å; F60-W67 HydrophobicContact CB-CZ2 4.05Å; F60-W67 WeakPolarHBondContact O-CZ2 3.18Å; F60-W67 PolarHBondContact O-NE1 3.45Å; F60-A71 HydrophobicContact CD1-CB 4.37Å; F60-A71 HydrophobicContact CE1-CB 3.79Å; F60-M74 HydrophobicContact CE1-CB 4.49Å; F60-M74 HydrophobicContact CE2-CB 4.11Å; F60-M74 HydrophobicContact CZ-CB 3.65Å; F60-M74 HydrophobicContact CZ-SD 4.45Å; F60-F75 HydrophobicContact CB-CD2 3.71Å; F60-F75 HydrophobicContact CB-CE2 4.48Å; F60-F75 HydrophobicContact CD2-CB 4.44Å; F60-F75 HydrophobicContact CD2-CD2 4.49Å; F60-F75 HydrophobicContact CG-CB 4.31Å; F60-F75 HydrophobicContact CG-CD2 4.26Å |
| 61 | I | 91.4 | Very high | 89.6 | Confident | 63 Ų | 63 | 54.5 Ų | 54.5 | 32% | 0.323 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | -176.3 | -66.2 | 166.3 | 0 | 0 | 0 | 111 | L57 W58 R65 F75 | L57-I61 VanDerWaalsContact O-CG1 3.27Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 2.73Å; W58-I61 PolarHBondContact O-N 3.04Å; I61-R65 PolarHBondContact O-NE 3.35Å; I61-F75 HydrophobicContact CD1-CE2 4.13Å; I61-F75 HydrophobicContact CG1-CE2 3.83Å; I61-F75 HydrophobicContact CG1-CZ 4.48Å |
| 62 | F | 90.5 | Very high | 89.5 | Confident | 133 Ų | 133 | 52.6 Ų | 52.6 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -105.6 | -24.8 | -166.8 | -61.5 | -70.6 | 0 | 0 | 0 | 115.2 | W58 | W58-F62 AromaticContact CD1-CD2 3.39Å; W58-F62 AromaticContact CD1-CE2 3.53Å; W58-F62 HydrophobicContact CD2-CD2 4.16Å; W58-F62 AromaticContact CE2-CD2 3.96Å; W58-F62 AromaticContact CG-CD2 3.82Å; W58-F62 HydrophobicContact CG-CD2 3.82Å; W58-F62 HydrophobicContact CG-CE2 4.28Å; W58-F62 AromaticContact NE1-CD2 3.45Å; W58-F62 AromaticContact NE1-CE2 3.78Å; W58-F62 VanDerWaalsContact O-CD2 3.25Å; W58-F62 WeakPolarHBondContact O-CD2 3.47Å; W58-F62 PolarHBondContact O-N 3.4Å |
| 63 | R | 86.9 | Confident | 89.6 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -21.5 | -169.5 | -62.5 | -60.2 | -167.2 | 97.2 | -1.9 | 115.3 | W58 L59 | W58-R63 HydrophobicContact CH2-CG 4.25Å; W58-R63 HydrophobicContact CZ3-CG 4.02Å; L59-R63 HydrophobicContact CD2-CB 3.98Å; L59-R63 HydrophobicContact CD2-CG 4Å; L59-R63 CarbonylContact O-C 2.9Å; L59-R63 WeakPolarHBondContact O-CA 3.37Å; L59-R63 WeakPolarHBondContact O-CB 3.48Å; L59-R63 PolarHBondContact O-N 3.11Å |
| 64 | L | 83.3 | Confident | 89.4 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -108.3 | 18.6 | -171.1 | -63 | 170.5 | 0 | 0 | 0 | 114.8 | L59 F60 P66 K312 Y313 Q316 | L59-L64 HydrophobicContact CB-CD1 4.09Å; L59-L64 WeakPolarHBondContact O-CG 3.5Å; L59-L64 PolarHBondContact O-N 3.3Å; F60-L64 HydrophobicContact CD1-CB 4.24Å; F60-L64 HydrophobicContact CD1-CD1 3.87Å; F60-L64 HydrophobicContact CE1-CD1 3.98Å; F60-L64 HydrophobicContact CG-CD1 4.29Å; L64-P66 CarbonylContact O-C 3.54Å; L64-K312 HydrophobicContact CD2-CB 4.17Å; L64-Y313 HydrophobicContact CD1-CD2 3.86Å; L64-Q316 HydrophobicContact CD2-CB 4.43Å; L64-Q316 HydrophobicContact CD2-CG 3.81Å |
| 65 | R | 85.5 | Confident | 89.4 | Confident | 177 Ų | 177 | 49.8 Ų | 49.8 | 67% | 0.668 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -76.5 | 144.5 | 172.6 | -69.8 | -172.7 | 178.2 | -169 | -1.1 | 111.8 | I61 | I61-R65 PolarHBondContact O-NE 3.35Š|
| 66 | P | 86.3 | Confident | 89.6 | Confident | 115 Ų | 115 | 48.8 Ų | 48.8 | 75% | 0.747 | 23% | 0.225 | S | C | * | . | S | Bend | cis | -78.1 | 148.4 | -2.9 | 32.5 | -35.1 | 0 | 0 | 0 | 112.7 | L64 | L64-P66 CarbonylContact O-C 3.54Š|
| 67 | W | 88.3 | Confident | 89.8 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 22% | 0.216 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -80 | 135.1 | 179.6 | -60.5 | -8.6 | 0 | 0 | 0 | 111.2 | F60 A71 F75 P149 | F60-W67 HydrophobicContact CB-CZ2 4.05Å; F60-W67 WeakPolarHBondContact O-CZ2 3.18Å; F60-W67 PolarHBondContact O-NE1 3.45Å; W67-A71 HydrophobicContact CB-CB 4.16Å; W67-F75 HydrophobicContact CH2-CB 4.28Å; W67-F75 AromaticContact CH2-CD1 3.71Å; W67-F75 HydrophobicContact CH2-CD1 3.71Å; W67-F75 AromaticContact CH2-CD2 3.6Å; W67-F75 HydrophobicContact CH2-CD2 3.6Å; W67-F75 AromaticContact CH2-CE1 3.89Å; W67-F75 HydrophobicContact CH2-CE1 3.89Å; W67-F75 AromaticContact CH2-CE2 3.77Å; W67-F75 HydrophobicContact CH2-CE2 3.77Å; W67-F75 AromaticContact CH2-CG 3.56Å; W67-F75 HydrophobicContact CH2-CG 3.56Å; W67-F75 AromaticContact CH2-CZ 3.91Å; W67-F75 HydrophobicContact CH2-CZ 3.91Å; W67-F75 HydrophobicContact CZ2-CD2 4.03Å; W67-F75 HydrophobicContact CZ2-CE2 4.31Å; W67-F75 HydrophobicContact CZ2-CG 4.29Å; W67-F75 HydrophobicContact CZ3-CB 4.22Å; W67-F75 AromaticContact CZ3-CD1 3.71Å; W67-F75 HydrophobicContact CZ3-CD1 3.71Å; W67-F75 HydrophobicContact CZ3-CD2 4.31Å; W67-F75 HydrophobicContact CZ3-CE1 4.15Å; W67-F75 AromaticContact CZ3-CG 3.79Å; W67-F75 HydrophobicContact CZ3-CG 3.79Å; W67-P149 WeakPolarHBondContact O-CG 3.48Å |
| 68 | D | 86.8 | Confident | 89.9 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 39% | 0.39 | 22% | 0.22 | S | C | . | . | trans | -92.7 | 174.1 | 164.7 | 59.7 | 32.5 | 0 | 0 | 0 | 110.6 | T70 A71 T72 | D68-T70 VanDerWaalsContact C-N 3.28Å; D68-T70 PolarHBondContact O-N 3.26Å; D68-T70 PolarHBondContact OD1-N 3.15Å; D68-A71 PolarHBondContact O-N 3.3Å; D68-A71 VanDerWaalsContact OD1-CB 3.3Å; D68-A71 WeakPolarHBondContact OD1-CB 3.11Å; D68-A71 PolarHBondContact OD1-N 3.46Å; D68-T72 PolarHBondContact O-N 2.71Å; D68-T72 PolarHBondContact O-OG1 2.89Å; D68-T72 VanDerWaalsContact O-OG1 3.1Å | ||
| 69 | A | 88.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.1 | -40.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T72 Y73 A152 | A69-T72 PolarHBondContact O-N 3.04Å; A69-Y73 HydrophobicContact CB-CE2 4.33Å; A69-Y73 WeakPolarHBondContact O-CD2 3.36Å; A69-Y73 WeakPolarHBondContact O-CE2 3.24Å; A69-Y73 PolarHBondContact O-N 3.19Å; A69-Y73 VanDerWaalsContact O-N 3.12Å; A69-A152 HydrophobicContact CB-CB 3.69Å |
| 70 | T | 85.4 | Confident | 90.5 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 15% | 0.153 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.2 | -43.9 | 178.3 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | D68 T72 Y73 M74 H132 | D68-T70 VanDerWaalsContact C-N 3.28Å; D68-T70 PolarHBondContact O-N 3.26Å; D68-T70 PolarHBondContact OD1-N 3.15Å; T70-T72 VanDerWaalsContact C-N 3.28Å; T70-T72 PolarHBondContact O-N 2.88Å; T70-Y73 PolarHBondContact O-N 3.48Å; T70-M74 HydrophobicContact CG2-CE 3.39Å; T70-M74 HydrophobicContact CG2-CG 4.29Å; T70-M74 HydrophobicContact CG2-SD 3.77Å; T70-M74 WeakPolarHBondContact O-CB 3.37Å; T70-M74 WeakPolarHBondContact O-CG 3.47Å; T70-M74 PolarHBondContact O-N 3.18Å; T70-H132 PolarHBondContact OG1-CE1 3.06Å; T70-H132 PolarHBondContact OG1-ND1 2.81Å |
| 71 | A | 88.7 | Confident | 90.8 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F60 W67 D68 M74 F75 | F60-A71 HydrophobicContact CD1-CB 4.37Å; F60-A71 HydrophobicContact CE1-CB 3.79Å; W67-A71 HydrophobicContact CB-CB 4.16Å; D68-A71 PolarHBondContact O-N 3.3Å; D68-A71 VanDerWaalsContact OD1-CB 3.3Å; D68-A71 WeakPolarHBondContact OD1-CB 3.11Å; D68-A71 PolarHBondContact OD1-N 3.46Å; A71-M74 PolarHBondContact O-N 2.88Å; A71-F75 WeakPolarHBondContact O-CB 3.4Å; A71-F75 PolarHBondContact O-N 3.35Å |
| 72 | T | 92.9 | Very high | 91 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -49 | 175.8 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | D68 A69 T70 M74 F75 H76 A152 | D68-T72 PolarHBondContact O-N 2.71Å; D68-T72 PolarHBondContact O-OG1 2.89Å; D68-T72 VanDerWaalsContact O-OG1 3.1Å; A69-T72 PolarHBondContact O-N 3.04Å; T70-T72 VanDerWaalsContact C-N 3.28Å; T70-T72 PolarHBondContact O-N 2.88Å; T72-M74 VanDerWaalsContact C-N 3.33Å; T72-M74 PolarHBondContact O-N 2.89Å; T72-F75 PolarHBondContact O-N 3.1Å; T72-H76 PolarHBondContact O-CD2 2.7Å; T72-H76 VanDerWaalsContact O-CD2 3.32Å; T72-H76 PolarHBondContact O-N 3.45Å; T72-A152 HydrophobicContact CG2-CB 4.23Å |
| 73 | Y | 92.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 177.1 | -58.8 | -44.7 | 0 | 0 | 0 | 111.9 | A69 T70 F75 H76 L77 F125 C128 I129 H132 A152 I155 C156 | A69-Y73 HydrophobicContact CB-CE2 4.33Å; A69-Y73 WeakPolarHBondContact O-CD2 3.36Å; A69-Y73 WeakPolarHBondContact O-CE2 3.24Å; A69-Y73 PolarHBondContact O-N 3.19Å; A69-Y73 VanDerWaalsContact O-N 3.12Å; T70-Y73 PolarHBondContact O-N 3.48Å; Y73-F75 PolarHBondContact O-N 3.08Å; Y73-H76 PolarHBondContact O-N 3.43Å; Y73-L77 WeakPolarHBondContact O-CB 3.34Å; Y73-L77 PolarHBondContact O-N 3.21Å; Y73-F125 HydrophobicContact CD1-CD1 4.24Å; Y73-C128 HydrophobicContact CD1-CB 4.13Å; Y73-C128 HydrophobicContact CD2-CB 4.26Å; Y73-C128 HydrophobicContact CE1-CB 4.09Å; Y73-C128 HydrophobicContact CE2-CB 4.2Å; Y73-C128 HydrophobicContact CG-CB 4.26Å; Y73-I129 HydrophobicContact CD2-CG1 4.15Å; Y73-I129 HydrophobicContact CG-CG1 4.37Å; Y73-H132 HydrophobicContact CE2-CB 4.32Å; Y73-A152 HydrophobicContact CE1-CB 4.08Å; Y73-I155 HydrophobicContact CE1-CB 4.17Å; Y73-I155 HydrophobicContact CE1-CG2 3.86Å; Y73-I155 WeakPolarHBondContact OH-CD1 3.17Å; Y73-C156 WeakPolarHBondContact CD1-SG 3.44Å |
| 74 | M | 90.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.054 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.3 | -68.5 | 176.9 | 169.1 | 0 | 0 | 112.4 | F60 T70 A71 T72 L77 A78 I129 L305 Y306 T309 | F60-M74 HydrophobicContact CE1-CB 4.49Å; F60-M74 HydrophobicContact CE2-CB 4.11Å; F60-M74 HydrophobicContact CZ-CB 3.65Å; F60-M74 HydrophobicContact CZ-SD 4.45Å; T70-M74 HydrophobicContact CG2-CE 3.39Å; T70-M74 HydrophobicContact CG2-CG 4.29Å; T70-M74 HydrophobicContact CG2-SD 3.77Å; T70-M74 WeakPolarHBondContact O-CB 3.37Å; T70-M74 WeakPolarHBondContact O-CG 3.47Å; T70-M74 PolarHBondContact O-N 3.18Å; A71-M74 PolarHBondContact O-N 2.88Å; T72-M74 VanDerWaalsContact C-N 3.33Å; T72-M74 PolarHBondContact O-N 2.89Å; M74-L77 PolarHBondContact O-N 3.41Å; M74-A78 WeakPolarHBondContact O-CB 3.5Å; M74-A78 PolarHBondContact O-N 3.39Å; M74-I129 HydrophobicContact CG-CD1 4.31Å; M74-L305 HydrophobicContact CE-CD2 4.33Å; M74-Y306 HydrophobicContact CB-CD1 3.84Å; M74-Y306 HydrophobicContact CB-CE1 3.49Å; M74-Y306 VanDerWaalsContact CB-CE1 3.49Å; M74-Y306 HydrophobicContact CE-CD1 3.95Å; M74-Y306 HydrophobicContact CG-CD1 3.55Å; M74-Y306 HydrophobicContact CG-CE1 3.41Å; M74-Y306 VanDerWaalsContact CG-CE1 3.41Å; M74-Y306 PolarHBondContact O-OH 3.38Å; M74-Y306 HydrophobicContact SD-CD1 3.53Å; M74-Y306 VanDerWaalsContact SD-CD1 3.53Å; M74-Y306 HydrophobicContact SD-CE1 4.07Å; M74-Y306 HydrophobicContact SD-CG 4.43Å; M74-T309 VanDerWaalsContact CE-OG1 3.24Å; M74-T309 WeakPolarHBondContact CE-OG1 3.06Å |
| 75 | F | 93.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 33 Ų | 33 | 13% | 0.132 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 175.6 | 173.6 | -97.4 | 0 | 0 | 0 | 111.9 | L57 F60 I61 W67 A71 T72 Y73 L77 A78 L79 | L57-F75 HydrophobicContact CD2-CD2 3.71Å; L57-F75 HydrophobicContact CD2-CE2 3.57Å; L57-F75 HydrophobicContact CD2-CZ 4.3Å; F60-F75 HydrophobicContact CB-CD2 3.71Å; F60-F75 HydrophobicContact CB-CE2 4.48Å; F60-F75 HydrophobicContact CD2-CB 4.44Å; F60-F75 HydrophobicContact CD2-CD2 4.49Å; F60-F75 HydrophobicContact CG-CB 4.31Å; F60-F75 HydrophobicContact CG-CD2 4.26Å; I61-F75 HydrophobicContact CD1-CE2 4.13Å; I61-F75 HydrophobicContact CG1-CE2 3.83Å; I61-F75 HydrophobicContact CG1-CZ 4.48Å; W67-F75 HydrophobicContact CH2-CB 4.28Å; W67-F75 AromaticContact CH2-CD1 3.71Å; W67-F75 HydrophobicContact CH2-CD1 3.71Å; W67-F75 AromaticContact CH2-CD2 3.6Å; W67-F75 HydrophobicContact CH2-CD2 3.6Å; W67-F75 AromaticContact CH2-CE1 3.89Å; W67-F75 HydrophobicContact CH2-CE1 3.89Å; W67-F75 AromaticContact CH2-CE2 3.77Å; W67-F75 HydrophobicContact CH2-CE2 3.77Å; W67-F75 AromaticContact CH2-CG 3.56Å; W67-F75 HydrophobicContact CH2-CG 3.56Å; W67-F75 AromaticContact CH2-CZ 3.91Å; W67-F75 HydrophobicContact CH2-CZ 3.91Å; W67-F75 HydrophobicContact CZ2-CD2 4.03Å; W67-F75 HydrophobicContact CZ2-CE2 4.31Å; W67-F75 HydrophobicContact CZ2-CG 4.29Å; W67-F75 HydrophobicContact CZ3-CB 4.22Å; W67-F75 AromaticContact CZ3-CD1 3.71Å; W67-F75 HydrophobicContact CZ3-CD1 3.71Å; W67-F75 HydrophobicContact CZ3-CD2 4.31Å; W67-F75 HydrophobicContact CZ3-CE1 4.15Å; W67-F75 AromaticContact CZ3-CG 3.79Å; W67-F75 HydrophobicContact CZ3-CG 3.79Å; A71-F75 WeakPolarHBondContact O-CB 3.4Å; A71-F75 PolarHBondContact O-N 3.35Å; T72-F75 PolarHBondContact O-N 3.1Å; Y73-F75 PolarHBondContact O-N 3.08Å; F75-L77 VanDerWaalsContact C-N 3.31Å; F75-L77 PolarHBondContact O-N 2.62Å; F75-A78 PolarHBondContact O-N 2.63Å; F75-L79 HydrophobicContact CE1-CD2 4.49Å; F75-L79 WeakPolarHBondContact O-CB 3.46Å; F75-L79 PolarHBondContact O-N 2.87Å |
| 76 | H | 95.6 | Very high | 93.2 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 18% | 0.181 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.7 | -31.8 | 178.7 | -78.3 | -80 | 0 | 0 | 0 | 112.9 | T72 Y73 L79 S80 F125 C156 W160 | T72-H76 PolarHBondContact O-CD2 2.7Å; T72-H76 VanDerWaalsContact O-CD2 3.32Å; T72-H76 PolarHBondContact O-N 3.45Å; Y73-H76 PolarHBondContact O-N 3.43Å; H76-L79 PolarHBondContact O-N 3.24Å; H76-S80 PolarHBondContact O-N 3.01Å; H76-F125 HydrophobicContact CB-CD2 4.47Å; H76-F125 HydrophobicContact CB-CE1 3.87Å; H76-F125 HydrophobicContact CB-CE2 3.79Å; H76-F125 HydrophobicContact CB-CZ 3.48Å; H76-F125 VanDerWaalsContact CB-CZ 3.48Å; H76-C156 PolarHBondContact CD2-SG 2.95Å; H76-W160 HydrophobicContact CB-CZ2 4.48Å; H76-W160 AromaticContact CE1-NE1 3.88Å; H76-W160 AromaticContact CG-NE1 3.76Å; H76-W160 AromaticContact ND1-CE2 3.83Å; H76-W160 AromaticContact ND1-NE1 3.1Å; H76-W160 PolarHBondContact ND1-NE1 3.3Å; H76-W160 VanDerWaalsContact ND1-NE1 3.1Å |
| 77 | L | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -55.2 | 172.2 | -175.3 | 57.3 | 0 | 0 | 0 | 110.9 | Y73 M74 F75 L79 S80 D81 S122 F125 L126 D302 Y306 | Y73-L77 WeakPolarHBondContact O-CB 3.34Å; Y73-L77 PolarHBondContact O-N 3.21Å; M74-L77 PolarHBondContact O-N 3.41Å; F75-L77 VanDerWaalsContact C-N 3.31Å; F75-L77 PolarHBondContact O-N 2.62Å; L77-L79 PolarHBondContact O-N 3.4Å; L77-S80 WeakPolarHBondContact O-CB 3.34Å; L77-S80 PolarHBondContact O-N 3.03Å; L77-D81 PolarHBondContact O-N 3.02Å; L77-S122 VanDerWaalsContact CD1-CA 3.45Å; L77-S122 WeakPolarHBondContact CD1-OG 3.37Å; L77-F125 HydrophobicContact CB-CB 4.36Å; L77-F125 HydrophobicContact CB-CD2 4.44Å; L77-F125 HydrophobicContact CD1-CB 4.23Å; L77-F125 HydrophobicContact CD1-CD2 4.43Å; L77-L126 HydrophobicContact CD2-CD2 4.2Å; L77-L126 HydrophobicContact CD2-CG 4.46Å; L77-D302 WeakPolarHBondContact CD1-OD2 3.37Å; L77-D302 HydrophobicContact CD2-CB 3.96Å; L77-D302 HydrophobicContact CG-CB 4.23Å; L77-Y306 WeakPolarHBondContact CB-OH 3.46Å; L77-Y306 HydrophobicContact CD2-CE1 4.33Å; L77-Y306 WeakPolarHBondContact CD2-OH 3.29Å; L77-Y306 WeakPolarHBondContact CG-OH 3.43Å |
| 78 | A | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.6 | -32.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | T56 L57 M74 F75 T82 Y306 | T56-A78 HydrophobicContact CG2-CB 4.03Å; L57-A78 HydrophobicContact CD2-CB 3.87Å; L57-A78 HydrophobicContact CG-CB 4.11Å; M74-A78 WeakPolarHBondContact O-CB 3.5Å; M74-A78 PolarHBondContact O-N 3.39Å; F75-A78 PolarHBondContact O-N 2.63Å; A78-T82 WeakPolarHBondContact O-CB 3.16Å; A78-T82 PolarHBondContact O-N 2.86Å; A78-T82 PolarHBondContact O-OG1 3.39Å; A78-Y306 HydrophobicContact CB-CE2 4.21Å; A78-Y306 PolarHBondContact N-OH 2.91Å |
| 79 | L | 97 | Very high | 94.7 | Very high | 56 Ų | 56 | 20.8 Ų | 20.8 | 29% | 0.293 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -66.1 | -46.9 | 174.2 | 179.4 | 62.3 | 0 | 0 | 0 | 111 | L57 F75 H76 L77 T82 L83 W160 | L57-L79 HydrophobicContact CD2-CB 4.23Å; F75-L79 HydrophobicContact CE1-CD2 4.49Å; F75-L79 WeakPolarHBondContact O-CB 3.46Å; F75-L79 PolarHBondContact O-N 2.87Å; H76-L79 PolarHBondContact O-N 3.24Å; L77-L79 PolarHBondContact O-N 3.4Å; L79-T82 PolarHBondContact O-N 3.46Å; L79-L83 HydrophobicContact CG-CD1 4.37Å; L79-L83 VanDerWaalsContact O-CG 3.32Å; L79-L83 WeakPolarHBondContact O-CG 3.25Å; L79-L83 PolarHBondContact O-N 3.5Å; L79-W160 HydrophobicContact CD2-CZ2 4.46Å |
| 80 | S | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 178 | -161.5 | 0 | 0 | 0 | 0 | 111.7 | H76 L77 L83 Y84 N118 C121 | H76-S80 PolarHBondContact O-N 3.01Å; L77-S80 WeakPolarHBondContact O-CB 3.34Å; L77-S80 PolarHBondContact O-N 3.03Å; S80-L83 PolarHBondContact O-N 3.31Å; S80-Y84 PolarHBondContact O-N 3.43Å; S80-Y84 VanDerWaalsContact O-N 3.1Å; S80-N118 WeakPolarHBondContact OG-CA 3.43Å; S80-C121 WeakPolarHBondContact OG-CB 3.46Å |
| 81 | D | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 173.5 | -73.1 | -34.8 | 0 | 0 | 0 | 112 | L77 L83 Y84 V85 N118 N298 S299 | L77-D81 PolarHBondContact O-N 3.02Å; D81-L83 PolarHBondContact O-N 3.49Å; D81-Y84 PolarHBondContact O-N 2.93Å; D81-V85 WeakPolarHBondContact O-CG1 3.43Å; D81-V85 WeakPolarHBondContact O-CG2 3.21Å; D81-V85 PolarHBondContact O-N 2.94Å; D81-N118 VanDerWaalsContact CA-ND2 3.33Å; D81-N118 WeakPolarHBondContact CA-ND2 3.38Å; D81-N118 PolarHBondContact N-ND2 3.15Å; D81-N118 PolarHBondContact OD1-ND2 3.21Å; D81-N298 PolarHBondContact OD1-OD1 3.42Å; D81-S299 VanDerWaalsContact OD1-CA 3.28Å; D81-S299 WeakPolarHBondContact OD1-CA 3.39Å; D81-S299 VanDerWaalsContact OD1-CB 3.29Å; D81-S299 WeakPolarHBondContact OD1-CB 3.37Å; D81-S299 PolarHBondContact OD1-OG 2.97Å |
| 82 | T | 97.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 10% | 0.098 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | -179.9 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | N53 L57 A78 L79 Y84 V85 L86 | N53-T82 VanDerWaalsContact CB-OG1 3.31Å; N53-T82 WeakPolarHBondContact CB-OG1 3.25Å; L57-T82 HydrophobicContact CD1-CG2 4.12Å; L57-T82 VanDerWaalsContact CD1-OG1 3.26Å; L57-T82 WeakPolarHBondContact CD1-OG1 3.39Å; A78-T82 WeakPolarHBondContact O-CB 3.16Å; A78-T82 PolarHBondContact O-N 2.86Å; A78-T82 PolarHBondContact O-OG1 3.39Å; L79-T82 PolarHBondContact O-N 3.46Å; T82-Y84 VanDerWaalsContact C-N 3.32Å; T82-Y84 PolarHBondContact O-N 3.39Å; T82-V85 WeakPolarHBondContact O-CG2 3.23Å; T82-V85 PolarHBondContact O-N 2.98Å; T82-L86 HydrophobicContact CG2-CD1 4.02Å; T82-L86 HydrophobicContact CG2-CG 4.4Å; T82-L86 WeakPolarHBondContact O-CB 3.46Å; T82-L86 WeakPolarHBondContact O-CG 3.43Å; T82-L86 PolarHBondContact O-N 3.19Å; T82-L86 VanDerWaalsContact O-N 3.08Å |
| 83 | L | 97.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 26.9 Ų | 26.9 | 37% | 0.366 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.6 | -70.1 | 172 | 0 | 0 | 0 | 111.7 | L79 S80 D81 L114 W160 | L79-L83 HydrophobicContact CG-CD1 4.37Å; L79-L83 VanDerWaalsContact O-CG 3.32Å; L79-L83 WeakPolarHBondContact O-CG 3.25Å; L79-L83 PolarHBondContact O-N 3.5Å; S80-L83 PolarHBondContact O-N 3.31Å; D81-L83 PolarHBondContact O-N 3.49Å; L83-L114 HydrophobicContact CB-CD2 4.23Å; L83-W160 HydrophobicContact CD1-CH2 4.4Å |
| 84 | Y | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.8 | -49 | 177.1 | 169.1 | -119.5 | 0 | 0 | 0 | 112.7 | S80 D81 T82 L86 S87 L88 F115 N118 S296 | S80-Y84 PolarHBondContact O-N 3.43Å; S80-Y84 VanDerWaalsContact O-N 3.1Å; D81-Y84 PolarHBondContact O-N 2.93Å; T82-Y84 VanDerWaalsContact C-N 3.32Å; T82-Y84 PolarHBondContact O-N 3.39Å; Y84-L86 PolarHBondContact O-N 3.11Å; Y84-S87 WeakPolarHBondContact O-CA 3.14Å; Y84-S87 WeakPolarHBondContact O-CB 3.23Å; Y84-S87 PolarHBondContact O-N 3.12Å; Y84-S87 PolarHBondContact O-OG 2.98Å; Y84-L88 HydrophobicContact CE1-CD1 4.44Å; Y84-L88 HydrophobicContact CE1-CD2 4.15Å; Y84-L88 HydrophobicContact CE1-CG 4.49Å; Y84-L88 HydrophobicContact CE2-CD2 3.82Å; Y84-L88 HydrophobicContact CE2-CG 4.48Å; Y84-L88 PolarHBondContact O-N 3.29Å; Y84-L88 WeakPolarHBondContact OH-CD2 3.34Å; Y84-F115 HydrophobicContact CD2-CB 4.38Å; Y84-F115 HydrophobicContact CE2-CB 3.92Å; Y84-F115 AromaticContact CE2-CD2 3.82Å; Y84-F115 HydrophobicContact CE2-CD2 3.82Å; Y84-F115 HydrophobicContact CE2-CG 4.38Å; Y84-F115 AromaticContact CZ-CD2 3.79Å; Y84-F115 WeakPolarHBondContact OH-CD2 3.47Å; Y84-N118 HydrophobicContact CD1-CB 4.28Å; Y84-N118 HydrophobicContact CG-CB 3.9Å; Y84-S296 WeakPolarHBondContact OH-CB 3.29Å; Y84-S296 PolarHBondContact OH-OG 3.37Å |
| 85 | V | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -33.7 | -177.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | V45 F46 L50 D81 T82 S87 L88 | V45-V85 HydrophobicContact CG1-CG1 4.29Å; F46-V85 VanDerWaalsContact CD2-O 3.23Å; F46-V85 WeakPolarHBondContact CD2-O 3.21Å; L50-V85 HydrophobicContact CB-CG2 4.3Å; L50-V85 HydrophobicContact CD1-CG2 4.42Å; D81-V85 WeakPolarHBondContact O-CG1 3.43Å; D81-V85 WeakPolarHBondContact O-CG2 3.21Å; D81-V85 PolarHBondContact O-N 2.94Å; T82-V85 WeakPolarHBondContact O-CG2 3.23Å; T82-V85 PolarHBondContact O-N 2.98Å; V85-S87 PolarHBondContact O-N 3.47Å; V85-L88 HydrophobicContact CB-CD1 4.15Å; V85-L88 HydrophobicContact CG1-CD1 4.13Å; V85-L88 VanDerWaalsContact O-CB 3.31Å; V85-L88 WeakPolarHBondContact O-CB 3.34Å; V85-L88 PolarHBondContact O-N 3.1Å; V85-L88 VanDerWaalsContact O-N 3.08Å |
| 86 | L | 97.9 | Very high | 97 | Very high | 101 Ų | 101 | 28.6 Ų | 28.6 | 53% | 0.529 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.1 | -22.9 | 173.7 | -72.5 | 173 | 0 | 0 | 0 | 113.4 | L50 T82 Y84 P89 | L50-L86 HydrophobicContact CD1-CD2 4.05Å; T82-L86 HydrophobicContact CG2-CD1 4.02Å; T82-L86 HydrophobicContact CG2-CG 4.4Å; T82-L86 WeakPolarHBondContact O-CB 3.46Å; T82-L86 WeakPolarHBondContact O-CG 3.43Å; T82-L86 PolarHBondContact O-N 3.19Å; T82-L86 VanDerWaalsContact O-N 3.08Å; Y84-L86 PolarHBondContact O-N 3.11Å; L86-P89 WeakPolarHBondContact O-CD 3.47Å |
| 87 | S | 97.4 | Very high | 97 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -82.9 | -22 | 175.6 | 80.2 | 0 | 0 | 0 | 0 | 113.8 | Y84 V85 T90 | Y84-S87 WeakPolarHBondContact O-CA 3.14Å; Y84-S87 WeakPolarHBondContact O-CB 3.23Å; Y84-S87 PolarHBondContact O-N 3.12Å; Y84-S87 PolarHBondContact O-OG 2.98Å; V85-S87 PolarHBondContact O-N 3.47Å; S87-T90 PolarHBondContact O-N 3.44Å; S87-T90 VanDerWaalsContact O-N 3.17Å; S87-T90 PolarHBondContact O-OG1 2.87Å |
| 88 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.3 | -35.4 | -174.9 | -71.1 | 177.7 | 0 | 0 | 0 | 115.3 | Y42 V45 F46 Y84 V85 T90 L91 I92 | Y42-L88 HydrophobicContact CD1-CD2 4.03Å; Y42-L88 HydrophobicContact CG-CD2 4.06Å; V45-L88 HydrophobicContact CB-CD1 4.01Å; V45-L88 HydrophobicContact CG1-CD1 3.65Å; F46-L88 HydrophobicContact CB-CB 4.23Å; F46-L88 HydrophobicContact CB-CD1 4.08Å; Y84-L88 HydrophobicContact CE1-CD1 4.44Å; Y84-L88 HydrophobicContact CE1-CD2 4.15Å; Y84-L88 HydrophobicContact CE1-CG 4.49Å; Y84-L88 HydrophobicContact CE2-CD2 3.82Å; Y84-L88 HydrophobicContact CE2-CG 4.48Å; Y84-L88 PolarHBondContact O-N 3.29Å; Y84-L88 WeakPolarHBondContact OH-CD2 3.34Å; V85-L88 HydrophobicContact CB-CD1 4.15Å; V85-L88 HydrophobicContact CG1-CD1 4.13Å; V85-L88 VanDerWaalsContact O-CB 3.31Å; V85-L88 WeakPolarHBondContact O-CB 3.34Å; V85-L88 PolarHBondContact O-N 3.1Å; V85-L88 VanDerWaalsContact O-N 3.08Å; L88-T90 PolarHBondContact O-N 3.16Å; L88-T90 VanDerWaalsContact O-N 3.13Å; L88-L91 HydrophobicContact CD2-CD1 4.25Å; L88-L91 PolarHBondContact O-N 3.36Å; L88-I92 HydrophobicContact CB-CD1 4.41Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.48Å; L88-I92 PolarHBondContact O-N 2.97Å |
| 89 | P | 98.1 | Very high | 96.8 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -52.2 | -36.2 | 176.7 | -30.2 | 37.5 | 0 | 0 | 0 | 114 | F46 L86 I92 Y93 | F46-P89 HydrophobicContact CD2-CG 4.15Å; F46-P89 HydrophobicContact CE2-CG 3.87Å; F46-P89 HydrophobicContact CZ-CG 4.11Å; L86-P89 WeakPolarHBondContact O-CD 3.47Å; P89-I92 PolarHBondContact O-N 2.98Å; P89-Y93 PolarHBondContact O-N 3.3Å |
| 90 | T | 97.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 18% | 0.184 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 177.1 | 64 | 0 | 0 | 0 | 0 | 112.3 | S87 L88 Y94 F103 V111 | S87-T90 PolarHBondContact O-N 3.44Å; S87-T90 VanDerWaalsContact O-N 3.17Å; S87-T90 PolarHBondContact O-OG1 2.87Å; L88-T90 PolarHBondContact O-N 3.16Å; L88-T90 VanDerWaalsContact O-N 3.13Å; T90-Y94 WeakPolarHBondContact O-CB 3.37Å; T90-Y94 PolarHBondContact O-N 3.31Å; T90-F103 HydrophobicContact CG2-CD2 4.49Å; T90-F103 HydrophobicContact CG2-CE2 4.4Å; T90-V111 WeakPolarHBondContact OG1-CG2 3.4Å |
| 91 | L | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.3 | -38.5 | 175.3 | -68.2 | 178.8 | 0 | 0 | 0 | 111.8 | Y42 L88 Y93 Y94 Y95 W101 V111 | Y42-L91 HydrophobicContact CD2-CB 4.03Å; Y42-L91 HydrophobicContact CE2-CB 4.21Å; Y42-L91 HydrophobicContact CE2-CD1 4.39Å; L88-L91 HydrophobicContact CD2-CD1 4.25Å; L88-L91 PolarHBondContact O-N 3.36Å; L91-Y93 VanDerWaalsContact C-N 3.34Å; L91-Y94 WeakPolarHBondContact O-CB 3.43Å; L91-Y94 PolarHBondContact O-N 2.87Å; L91-Y95 HydrophobicContact CB-CE2 4.46Å; L91-Y95 HydrophobicContact CD2-CE2 4.46Å; L91-Y95 WeakPolarHBondContact O-CD2 3.43Å; L91-Y95 PolarHBondContact O-N 3.27Å; L91-W101 HydrophobicContact CD2-CZ3 4.43Å; L91-V111 HydrophobicContact CD1-CG1 3.89Å; L91-V111 HydrophobicContact CD2-CG1 3.71Å; L91-V111 HydrophobicContact CG-CG1 3.56Å |
| 92 | I | 98 | Very high | 96.7 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.185 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -50.6 | 174.5 | -66.7 | 163.6 | 0 | 0 | 0 | 109.2 | P39 A43 F46 L88 P89 Y94 A96 | P39-I92 HydrophobicContact CB-CG2 4.22Å; A43-I92 HydrophobicContact CB-CD1 4.03Å; F46-I92 HydrophobicContact CB-CD1 4.37Å; L88-I92 HydrophobicContact CB-CD1 4.41Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.48Å; L88-I92 PolarHBondContact O-N 2.97Å; P89-I92 PolarHBondContact O-N 2.98Å; I92-Y94 PolarHBondContact O-N 3.02Å; I92-A96 VanDerWaalsContact O-CB 3.23Å; I92-A96 WeakPolarHBondContact O-CB 3.48Å; I92-A96 PolarHBondContact O-N 3.11Å |
| 93 | Y | 97.8 | Very high | 96.6 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 42% | 0.42 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 175.1 | 176.6 | -85.8 | 0 | 0 | 0 | 111.4 | P89 L91 Y95 A96 A97 P102 F103 | P89-Y93 PolarHBondContact O-N 3.3Å; L91-Y93 VanDerWaalsContact C-N 3.34Å; Y93-Y95 PolarHBondContact O-N 3.33Å; Y93-A96 PolarHBondContact O-N 2.91Å; Y93-A97 HydrophobicContact CD1-CB 4.22Å; Y93-A97 HydrophobicContact CE1-CB 3.77Å; Y93-A97 HydrophobicContact CE2-CB 4.46Å; Y93-A97 WeakPolarHBondContact O-CB 3.41Å; Y93-A97 PolarHBondContact O-N 2.93Å; Y93-P102 HydrophobicContact CD1-CG 4.32Å; Y93-P102 VanDerWaalsContact CE1-CD 3.5Å; Y93-P102 HydrophobicContact CE1-CG 3.56Å; Y93-F103 AromaticContact CD1-CE2 3.64Å; Y93-F103 HydrophobicContact CD1-CE2 3.64Å; Y93-F103 AromaticContact CD1-CZ 3.71Å; Y93-F103 HydrophobicContact CD1-CZ 3.71Å; Y93-F103 HydrophobicContact CE1-CE2 4.33Å; Y93-F103 HydrophobicContact CE1-CZ 4.3Å; Y93-F103 HydrophobicContact CG-CE2 4.22Å; Y93-F103 AromaticContact CG-CZ 3.98Å; Y93-F103 HydrophobicContact CG-CZ 3.98Å |
| 94 | Y | 96.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.7 | -49.2 | -177.5 | 171.7 | -112.2 | 0 | 0 | 0 | 112.9 | T90 L91 I92 N99 W101 C185 | T90-Y94 WeakPolarHBondContact O-CB 3.37Å; T90-Y94 PolarHBondContact O-N 3.31Å; L91-Y94 WeakPolarHBondContact O-CB 3.43Å; L91-Y94 PolarHBondContact O-N 2.87Å; I92-Y94 PolarHBondContact O-N 3.02Å; Y94-N99 HydrophobicContact CE1-CB 4.4Å; Y94-N99 VanDerWaalsContact CE2-CA 3.41Å; Y94-N99 HydrophobicContact CE2-CB 3.81Å; Y94-N99 WeakPolarHBondContact CE2-O 3.29Å; Y94-N99 VanDerWaalsContact O-CA 3.22Å; Y94-N99 WeakPolarHBondContact O-CA 3.31Å; Y94-N99 PolarHBondContact O-N 2.91Å; Y94-W101 HydrophobicContact CD2-CB 3.86Å; Y94-W101 AromaticContact CD2-CE3 3.77Å; Y94-W101 HydrophobicContact CD2-CE3 3.77Å; Y94-W101 HydrophobicContact CE2-CB 4.03Å; Y94-W101 AromaticContact CG-CE3 3.9Å; Y94-W101 HydrophobicContact CG-CE3 3.9Å; Y94-W101 HydrophobicContact CG-CZ3 4.45Å; Y94-C185 HydrophobicContact CE2-CB 4.15Å; Y94-C185 PolarHBondContact OH-O 2.92Å |
| 95 | Y | 96.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76 | -32.5 | 179.7 | -67.6 | -68.6 | 0 | 0 | 0 | 112.5 | K34 F35 L38 Y42 L91 Y93 A97 R98 N99 D187 R292 | K34-Y95 HydrophobicContact CG-CD1 4.25Å; F35-Y95 VanDerWaalsContact CD1-O 3.24Å; F35-Y95 WeakPolarHBondContact CD1-O 3.33Å; L38-Y95 HydrophobicContact CB-CD1 4.28Å; L38-Y95 HydrophobicContact CB-CD2 3.74Å; L38-Y95 HydrophobicContact CB-CE2 4.27Å; L38-Y95 HydrophobicContact CB-CG 3.79Å; L38-Y95 HydrophobicContact CD1-CD1 3.53Å; L38-Y95 HydrophobicContact CD1-CD2 3.99Å; L38-Y95 HydrophobicContact CD1-CE1 3.29Å; L38-Y95 HydrophobicContact CD1-CE2 3.85Å; L38-Y95 HydrophobicContact CD1-CG 3.87Å; L38-Y95 VanDerWaalsContact CD1-CZ 3.49Å; L38-Y95 HydrophobicContact CG-CG 4.48Å; Y42-Y95 HydrophobicContact CD2-CD2 4.26Å; Y42-Y95 HydrophobicContact CD2-CE2 4.43Å; Y42-Y95 AromaticContact CE2-CD2 3.92Å; Y42-Y95 HydrophobicContact CE2-CD2 3.92Å; Y42-Y95 AromaticContact CE2-CE2 3.69Å; Y42-Y95 HydrophobicContact CE2-CE2 3.69Å; L91-Y95 HydrophobicContact CB-CE2 4.46Å; L91-Y95 HydrophobicContact CD2-CE2 4.46Å; L91-Y95 WeakPolarHBondContact O-CD2 3.43Å; L91-Y95 PolarHBondContact O-N 3.27Å; Y93-Y95 PolarHBondContact O-N 3.33Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-R98 PolarHBondContact O-N 2.96Å; Y95-N99 WeakPolarHBondContact CD1-OD1 3.44Å; Y95-D187 PolarHBondContact OH-OD1 3.03Å; Y95-R292 PolarHBondContact OH-NH1 2.91Å |
| 96 | A | 96.4 | Very high | 96.3 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 51% | 0.512 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | P39 I92 Y93 R98 | P39-A96 HydrophobicContact CB-CB 4.42Å; P39-A96 HydrophobicContact CG-CB 4.17Å; I92-A96 VanDerWaalsContact O-CB 3.23Å; I92-A96 WeakPolarHBondContact O-CB 3.48Å; I92-A96 PolarHBondContact O-N 3.11Å; Y93-A96 PolarHBondContact O-N 2.91Å; A96-R98 PolarHBondContact O-N 2.99Å |
| 97 | A | 95.6 | Very high | 96.2 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 26.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y93 Y95 N99 H100 | Y93-A97 HydrophobicContact CD1-CB 4.22Å; Y93-A97 HydrophobicContact CE1-CB 3.77Å; Y93-A97 HydrophobicContact CE2-CB 4.46Å; Y93-A97 WeakPolarHBondContact O-CB 3.41Å; Y93-A97 PolarHBondContact O-N 2.93Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; A97-N99 VanDerWaalsContact C-N 3.35Å; A97-N99 PolarHBondContact O-N 2.98Å; A97-H100 HydrophobicContact CB-CB 4.25Å; A97-H100 WeakPolarHBondContact O-CB 3.28Å; A97-H100 PolarHBondContact O-N 3.41Å; A97-H100 VanDerWaalsContact O-N 3.08Å |
| 98 | R | 92.9 | Very high | 96.2 | Very high | 168 Ų | 168 | 48.2 Ų | 48.2 | 63% | 0.634 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 47.7 | 177.9 | -63.9 | -174 | 173.2 | -106.3 | 2.3 | 114 | F35 Y95 A96 | F35-R98 HydrophobicContact CD1-CB 4.43Å; F35-R98 HydrophobicContact CD1-CG 4.45Å; F35-R98 HydrophobicContact CD2-CG 4.28Å; F35-R98 VanDerWaalsContact CE1-CA 3.43Å; F35-R98 HydrophobicContact CE1-CB 4.11Å; F35-R98 HydrophobicContact CE2-CB 4.49Å; F35-R98 HydrophobicContact CE2-CG 4.37Å; F35-R98 HydrophobicContact CG-CG 4.31Å; F35-R98 HydrophobicContact CZ-CB 4.13Å; F35-R98 HydrophobicContact CZ-CG 4.47Å; Y95-R98 PolarHBondContact O-N 2.96Å; A96-R98 PolarHBondContact O-N 2.99Å |
| 99 | N | 93.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 25.6 | -177.7 | -63.9 | -16.5 | 0 | 0 | 0 | 115.6 | K34 F35 Y94 Y95 A97 V183 L184 | K34-N99 VanDerWaalsContact CE-ND2 3.27Å; K34-N99 WeakPolarHBondContact CE-ND2 3.07Å; K34-N99 PolarHBondContact NZ-ND2 2.91Å; F35-N99 HydrophobicContact CE1-CB 4.4Å; Y94-N99 HydrophobicContact CE1-CB 4.4Å; Y94-N99 VanDerWaalsContact CE2-CA 3.41Å; Y94-N99 HydrophobicContact CE2-CB 3.81Å; Y94-N99 WeakPolarHBondContact CE2-O 3.29Å; Y94-N99 VanDerWaalsContact O-CA 3.22Å; Y94-N99 WeakPolarHBondContact O-CA 3.31Å; Y94-N99 PolarHBondContact O-N 2.91Å; Y95-N99 WeakPolarHBondContact CD1-OD1 3.44Å; A97-N99 VanDerWaalsContact C-N 3.35Å; A97-N99 PolarHBondContact O-N 2.98Å; N99-V183 VanDerWaalsContact O-O 3.13Å; N99-L184 HydrophobicContact CB-CD2 3.73Å |
| 100 | H | 95.1 | Very high | 96 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | trans | -86.5 | 120.7 | 169.6 | -173.6 | 79 | 0 | 0 | 0 | 111.1 | A97 P102 | A97-H100 HydrophobicContact CB-CB 4.25Å; A97-H100 WeakPolarHBondContact O-CB 3.28Å; A97-H100 PolarHBondContact O-N 3.41Å; A97-H100 VanDerWaalsContact O-N 3.08Å; H100-P102 VanDerWaalsContact O-CD 3.32Å; H100-P102 WeakPolarHBondContact O-CD 3.1Å | ||
| 101 | W | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | trans | -109.6 | 97.5 | -179.2 | -175 | -92.1 | 0 | 0 | 0 | 112.3 | L91 Y94 F103 G104 I107 C108 V111 V183 C185 | L91-W101 HydrophobicContact CD2-CZ3 4.43Å; Y94-W101 HydrophobicContact CD2-CB 3.86Å; Y94-W101 AromaticContact CD2-CE3 3.77Å; Y94-W101 HydrophobicContact CD2-CE3 3.77Å; Y94-W101 HydrophobicContact CE2-CB 4.03Å; Y94-W101 AromaticContact CG-CE3 3.9Å; Y94-W101 HydrophobicContact CG-CE3 3.9Å; Y94-W101 HydrophobicContact CG-CZ3 4.45Å; W101-F103 AromaticContact CD2-CD2 3.89Å; W101-F103 HydrophobicContact CD2-CD2 3.89Å; W101-F103 AromaticContact CE2-CD2 3.79Å; W101-F103 AromaticContact CE3-CD2 3.94Å; W101-F103 HydrophobicContact CE3-CD2 3.94Å; W101-F103 HydrophobicContact CE3-CE2 4.47Å; W101-F103 AromaticContact CH2-CD2 3.81Å; W101-F103 HydrophobicContact CH2-CD2 3.81Å; W101-F103 HydrophobicContact CZ2-CB 3.76Å; W101-F103 AromaticContact CZ2-CD2 3.75Å; W101-F103 HydrophobicContact CZ2-CD2 3.75Å; W101-F103 HydrophobicContact CZ2-CG 4.2Å; W101-F103 AromaticContact CZ3-CD2 3.9Å; W101-F103 HydrophobicContact CZ3-CD2 3.9Å; W101-F103 HydrophobicContact CZ3-CE2 4.36Å; W101-G104 PolarHBondContact NE1-O 2.76Å; W101-I107 HydrophobicContact CH2-CG2 4.38Å; W101-I107 HydrophobicContact CZ2-CB 4.1Å; W101-I107 HydrophobicContact CZ2-CG2 3.81Å; W101-C108 HydrophobicContact CD2-CB 4.44Å; W101-C108 VanDerWaalsContact CZ2-CA 3.46Å; W101-C108 HydrophobicContact CZ2-CB 4Å; W101-V111 HydrophobicContact CH2-CB 4.33Å; W101-V111 HydrophobicContact CH2-CG1 4.49Å; W101-V111 HydrophobicContact CH2-CG2 4.14Å; W101-V183 WeakPolarHBondContact CB-O 3.2Å; W101-V183 PolarHBondContact N-O 2.82Å; W101-V183 WeakPolarHBondContact O-CB 3.38Å; W101-C185 HydrophobicContact CB-CB 3.86Å; W101-C185 HydrophobicContact CD2-CB 3.66Å; W101-C185 HydrophobicContact CE3-CB 3.9Å; W101-C185 HydrophobicContact CG-CB 3.62Å | ||
| 102 | P | 95.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | trans | -88.7 | -6.1 | -178 | 35 | -37.1 | 0 | 0 | 0 | 114 | Y93 H100 G104 | Y93-P102 HydrophobicContact CD1-CG 4.32Å; Y93-P102 VanDerWaalsContact CE1-CD 3.5Å; Y93-P102 HydrophobicContact CE1-CG 3.56Å; H100-P102 VanDerWaalsContact O-CD 3.32Å; H100-P102 WeakPolarHBondContact O-CD 3.1Å; P102-G104 VanDerWaalsContact C-N 3.29Å; P102-G104 PolarHBondContact O-N 3.26Å | ||
| 103 | F | 96.2 | Very high | 95.8 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -84.7 | 4.2 | -168.8 | -49.6 | -71.7 | 0 | 0 | 0 | 114.4 | T90 Y93 W101 I107 | T90-F103 HydrophobicContact CG2-CD2 4.49Å; T90-F103 HydrophobicContact CG2-CE2 4.4Å; Y93-F103 AromaticContact CD1-CE2 3.64Å; Y93-F103 HydrophobicContact CD1-CE2 3.64Å; Y93-F103 AromaticContact CD1-CZ 3.71Å; Y93-F103 HydrophobicContact CD1-CZ 3.71Å; Y93-F103 HydrophobicContact CE1-CE2 4.33Å; Y93-F103 HydrophobicContact CE1-CZ 4.3Å; Y93-F103 HydrophobicContact CG-CE2 4.22Å; Y93-F103 AromaticContact CG-CZ 3.98Å; Y93-F103 HydrophobicContact CG-CZ 3.98Å; W101-F103 AromaticContact CD2-CD2 3.89Å; W101-F103 HydrophobicContact CD2-CD2 3.89Å; W101-F103 AromaticContact CE2-CD2 3.79Å; W101-F103 AromaticContact CE3-CD2 3.94Å; W101-F103 HydrophobicContact CE3-CD2 3.94Å; W101-F103 HydrophobicContact CE3-CE2 4.47Å; W101-F103 AromaticContact CH2-CD2 3.81Å; W101-F103 HydrophobicContact CH2-CD2 3.81Å; W101-F103 HydrophobicContact CZ2-CB 3.76Å; W101-F103 AromaticContact CZ2-CD2 3.75Å; W101-F103 HydrophobicContact CZ2-CD2 3.75Å; W101-F103 HydrophobicContact CZ2-CG 4.2Å; W101-F103 AromaticContact CZ3-CD2 3.9Å; W101-F103 HydrophobicContact CZ3-CD2 3.9Å; W101-F103 HydrophobicContact CZ3-CE2 4.36Å; F103-I107 HydrophobicContact CB-CB 3.99Å; F103-I107 HydrophobicContact CB-CD1 4.07Å; F103-I107 HydrophobicContact CB-CG2 4Å; F103-I107 WeakPolarHBondContact O-CB 3.23Å; F103-I107 VanDerWaalsContact O-CD1 3.31Å; F103-I107 WeakPolarHBondContact O-CD1 3.33Å; F103-I107 WeakPolarHBondContact O-CG1 3.34Å |
| 104 | G | 95.5 | Very high | 95.7 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | 77.2 | 166.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | W101 P102 E106 C108 | W101-G104 PolarHBondContact NE1-O 2.76Å; P102-G104 VanDerWaalsContact C-N 3.29Å; P102-G104 PolarHBondContact O-N 3.26Å; G104-E106 PolarHBondContact O-N 3.05Å; G104-C108 PolarHBondContact O-N 2.99Å |
| 105 | T | 95.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -39.7 | -171 | -45.5 | 0 | 0 | 0 | 0 | 113.1 | I107 C108 K109 T176 | T105-I107 PolarHBondContact O-N 3.11Å; T105-C108 WeakPolarHBondContact O-CB 3.45Å; T105-C108 PolarHBondContact O-N 3.19Å; T105-K109 HydrophobicContact CG2-CD 4.48Å; T105-K109 WeakPolarHBondContact O-CG 3.31Å; T105-K109 PolarHBondContact O-N 3.39Å; T105-T176 HydrophobicContact CG2-CG2 4.36Å; T105-T176 PolarHBondContact OG1-OG1 3.45Å; T105-T176 VanDerWaalsContact OG1-OG1 3.05Å |
| 106 | E | 95.4 | Very high | 95.7 | Very high | 130 Ų | 130 | 48.1 Ų | 48.1 | 61% | 0.607 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.6 | -39.4 | -176.3 | -58.3 | -47.9 | 128.8 | 0 | 0 | 112.1 | G104 K109 F110 | G104-E106 PolarHBondContact O-N 3.05Å; E106-K109 PolarHBondContact O-N 3.42Å; E106-K109 IonicContact OE1-NZ 3.83Å; E106-F110 WeakPolarHBondContact O-CB 3.27Å; E106-F110 PolarHBondContact O-N 3.27Å |
| 107 | I | 96.3 | Very high | 95.7 | Very high | 76 Ų | 76 | 46 Ų | 46 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.8 | -37.8 | 174.8 | -55.5 | -172.8 | 0 | 0 | 0 | 110.1 | W101 F103 T105 K109 F110 V111 | W101-I107 HydrophobicContact CH2-CG2 4.38Å; W101-I107 HydrophobicContact CZ2-CB 4.1Å; W101-I107 HydrophobicContact CZ2-CG2 3.81Å; F103-I107 HydrophobicContact CB-CB 3.99Å; F103-I107 HydrophobicContact CB-CD1 4.07Å; F103-I107 HydrophobicContact CB-CG2 4Å; F103-I107 WeakPolarHBondContact O-CB 3.23Å; F103-I107 VanDerWaalsContact O-CD1 3.31Å; F103-I107 WeakPolarHBondContact O-CD1 3.33Å; F103-I107 WeakPolarHBondContact O-CG1 3.34Å; T105-I107 PolarHBondContact O-N 3.11Å; I107-K109 PolarHBondContact O-N 2.96Å; I107-F110 PolarHBondContact O-N 2.91Å; I107-V111 HydrophobicContact CG2-CG2 3.99Å; I107-V111 WeakPolarHBondContact O-CB 3.34Å; I107-V111 WeakPolarHBondContact O-CG2 3.38Å; I107-V111 PolarHBondContact O-N 3.37Å |
| 108 | C | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.4 | -53.9 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | W101 G104 T105 F110 V111 R112 T176 C185 | W101-C108 HydrophobicContact CD2-CB 4.44Å; W101-C108 VanDerWaalsContact CZ2-CA 3.46Å; W101-C108 HydrophobicContact CZ2-CB 4Å; G104-C108 PolarHBondContact O-N 2.99Å; T105-C108 WeakPolarHBondContact O-CB 3.45Å; T105-C108 PolarHBondContact O-N 3.19Å; C108-F110 PolarHBondContact O-N 3.4Å; C108-V111 PolarHBondContact O-N 2.93Å; C108-R112 VanDerWaalsContact O-CG 3.29Å; C108-R112 WeakPolarHBondContact O-CG 3.48Å; C108-R112 PolarHBondContact O-N 3.19Å; C108-T176 HydrophobicContact CB-CG2 3.91Å; C108-C185 HydrophobicContact CB-CB 3.9Å; C108-C185 WeakPolarHBondContact CB-SG 3.3Å; C108-C185 VanDerWaalsContact SG-CA 3.53Å; C108-C185 WeakPolarHBondContact SG-CB 3.23Å; C108-C185 CovalentContact SG-SG 2.03Å; C108-C185 PolarHBondContact SG-SG 3.28Å |
| 109 | K | 96.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 36.7 Ų | 36.7 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.4 | -48.7 | 176.8 | -75.1 | 177.1 | 176.7 | -179.1 | 0 | 112.5 | T105 E106 I107 R112 F113 L171 V174 | T105-K109 HydrophobicContact CG2-CD 4.48Å; T105-K109 WeakPolarHBondContact O-CG 3.31Å; T105-K109 PolarHBondContact O-N 3.39Å; E106-K109 PolarHBondContact O-N 3.42Å; E106-K109 IonicContact OE1-NZ 3.83Å; I107-K109 PolarHBondContact O-N 2.96Å; K109-R112 PolarHBondContact O-N 2.92Å; K109-F113 VanDerWaalsContact O-CB 3.28Å; K109-F113 WeakPolarHBondContact O-CB 3.46Å; K109-F113 PolarHBondContact O-N 3.44Å; K109-L171 HydrophobicContact CB-CD2 4.07Å; K109-L171 WeakPolarHBondContact CD-O 3.27Å; K109-L171 WeakPolarHBondContact CE-O 3.47Å; K109-L171 PolarHBondContact NZ-O 3.36Å; K109-V174 HydrophobicContact CB-CG1 4.45Å; K109-V174 WeakPolarHBondContact CE-O 3.23Å; K109-V174 HydrophobicContact CG-CB 4.14Å; K109-V174 HydrophobicContact CG-CG1 3.96Å; K109-V174 WeakPolarHBondContact CG-O 3.36Å |
| 110 | F | 95.9 | Very high | 96.1 | Very high | 117 Ų | 117 | 35.9 Ų | 35.9 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -43.2 | -178.9 | -177 | -112.6 | 0 | 0 | 0 | 112.8 | E106 I107 C108 F113 L114 | E106-F110 WeakPolarHBondContact O-CB 3.27Å; E106-F110 PolarHBondContact O-N 3.27Å; I107-F110 PolarHBondContact O-N 2.91Å; C108-F110 PolarHBondContact O-N 3.4Å; F110-F113 WeakPolarHBondContact O-CB 3.45Å; F110-F113 PolarHBondContact O-N 3.32Å; F110-L114 HydrophobicContact CD1-CD1 3.98Å; F110-L114 HydrophobicContact CE1-CD1 3.43Å; F110-L114 VanDerWaalsContact CE1-CD1 3.43Å; F110-L114 HydrophobicContact CE1-CG 4.15Å; F110-L114 HydrophobicContact CE2-CD1 4.42Å; F110-L114 HydrophobicContact CE2-CD2 4.47Å; F110-L114 HydrophobicContact CE2-CG 4.29Å; F110-L114 HydrophobicContact CZ-CD1 3.69Å; F110-L114 HydrophobicContact CZ-CD2 4.23Å; F110-L114 HydrophobicContact CZ-CG 4.03Å; F110-L114 WeakPolarHBondContact O-CG 3.39Å; F110-L114 PolarHBondContact O-N 3.23Å |
| 111 | V | 96.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | T90 L91 W101 I107 C108 F113 L114 F115 | T90-V111 WeakPolarHBondContact OG1-CG2 3.4Å; L91-V111 HydrophobicContact CD1-CG1 3.89Å; L91-V111 HydrophobicContact CD2-CG1 3.71Å; L91-V111 HydrophobicContact CG-CG1 3.56Å; W101-V111 HydrophobicContact CH2-CB 4.33Å; W101-V111 HydrophobicContact CH2-CG1 4.49Å; W101-V111 HydrophobicContact CH2-CG2 4.14Å; I107-V111 HydrophobicContact CG2-CG2 3.99Å; I107-V111 WeakPolarHBondContact O-CB 3.34Å; I107-V111 WeakPolarHBondContact O-CG2 3.38Å; I107-V111 PolarHBondContact O-N 3.37Å; C108-V111 PolarHBondContact O-N 2.93Å; V111-F113 VanDerWaalsContact C-N 3.33Å; V111-L114 PolarHBondContact O-N 3.1Å; V111-F115 PolarHBondContact O-N 2.86Å |
| 112 | R | 95.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 172.9 | -63 | -43.6 | 176.5 | 158 | 5.5 | 111.9 | C108 K109 F115 Y116 V174 C185 H186 D187 | C108-R112 VanDerWaalsContact O-CG 3.29Å; C108-R112 WeakPolarHBondContact O-CG 3.48Å; C108-R112 PolarHBondContact O-N 3.19Å; K109-R112 PolarHBondContact O-N 2.92Å; R112-F115 PolarHBondContact O-N 2.77Å; R112-Y116 VanDerWaalsContact O-CD2 3.29Å; R112-Y116 WeakPolarHBondContact O-CD2 3.45Å; R112-Y116 PolarHBondContact O-N 2.72Å; R112-V174 HydrophobicContact CB-CG1 4.01Å; R112-V174 HydrophobicContact CB-CG2 4.19Å; R112-V174 HydrophobicContact CG-CG1 3.72Å; R112-C185 PolarHBondContact NE-SG 2.87Å; R112-C185 VanDerWaalsContact NE-SG 3.36Å; R112-C185 PolarHBondContact NH2-O 2.88Å; R112-H186 PolarHBondContact NE-O 3.27Å; R112-D187 IonicContact CZ-OD1 3.69Å; R112-D187 IonicContact NH1-OD1 2.81Å; R112-D187 PolarHBondContact NH1-OD1 3.08Å; R112-D187 IonicContact NH2-OD1 3.79Å; R112-D187 PolarHBondContact NH2-OD1 2.62Å |
| 113 | F | 95.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 15% | 0.154 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.2 | 174.1 | -93.3 | 0 | 0 | 0 | 111.7 | K109 F110 V111 F115 Y116 W117 L167 V168 L171 | K109-F113 VanDerWaalsContact O-CB 3.28Å; K109-F113 WeakPolarHBondContact O-CB 3.46Å; K109-F113 PolarHBondContact O-N 3.44Å; F110-F113 WeakPolarHBondContact O-CB 3.45Å; F110-F113 PolarHBondContact O-N 3.32Å; V111-F113 VanDerWaalsContact C-N 3.33Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-F115 PolarHBondContact O-N 3.4Å; F113-Y116 PolarHBondContact O-N 2.72Å; F113-W117 HydrophobicContact CD1-CB 4.39Å; F113-W117 HydrophobicContact CE1-CB 4.28Å; F113-W117 HydrophobicContact CE1-CD2 4.06Å; F113-W117 AromaticContact CE1-CE3 3.51Å; F113-W117 HydrophobicContact CE1-CE3 3.51Å; F113-W117 HydrophobicContact CE1-CG 4.36Å; F113-W117 HydrophobicContact CE1-CZ3 4.2Å; F113-W117 AromaticContact CE2-CE3 3.92Å; F113-W117 HydrophobicContact CE2-CE3 3.92Å; F113-W117 HydrophobicContact CE2-CZ3 4.37Å; F113-W117 HydrophobicContact CZ-CD2 4.13Å; F113-W117 AromaticContact CZ-CE3 3.14Å; F113-W117 HydrophobicContact CZ-CE3 3.14Å; F113-W117 AromaticContact CZ-CZ3 3.55Å; F113-W117 HydrophobicContact CZ-CZ3 3.55Å; F113-W117 WeakPolarHBondContact O-CB 3.08Å; F113-W117 PolarHBondContact O-N 3.22Å; F113-L167 HydrophobicContact CD2-CB 4.12Å; F113-L167 HydrophobicContact CE2-CB 3.83Å; F113-V168 HydrophobicContact CE2-CG2 4.25Å; F113-L171 HydrophobicContact CB-CD2 3.81Å; F113-L171 HydrophobicContact CD2-CD2 4.11Å; F113-L171 HydrophobicContact CD2-CG 4.42Å; F113-L171 HydrophobicContact CG-CD2 4.23Å |
| 114 | L | 96.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -35.5 | 179.3 | -76.9 | 178.3 | 0 | 0 | 0 | 113.1 | L83 F110 V111 N118 | L83-L114 HydrophobicContact CB-CD2 4.23Å; F110-L114 HydrophobicContact CD1-CD1 3.98Å; F110-L114 HydrophobicContact CE1-CD1 3.43Å; F110-L114 VanDerWaalsContact CE1-CD1 3.43Å; F110-L114 HydrophobicContact CE1-CG 4.15Å; F110-L114 HydrophobicContact CE2-CD1 4.42Å; F110-L114 HydrophobicContact CE2-CD2 4.47Å; F110-L114 HydrophobicContact CE2-CG 4.29Å; F110-L114 HydrophobicContact CZ-CD1 3.69Å; F110-L114 HydrophobicContact CZ-CD2 4.23Å; F110-L114 HydrophobicContact CZ-CG 4.03Å; F110-L114 WeakPolarHBondContact O-CG 3.39Å; F110-L114 PolarHBondContact O-N 3.23Å; V111-L114 PolarHBondContact O-N 3.1Å; L114-N118 WeakPolarHBondContact O-CB 3.47Å; L114-N118 PolarHBondContact O-N 3.43Å |
| 115 | F | 95.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 26 Ų | 26 | 4% | 0.044 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.1 | -53.7 | 173.4 | 173.2 | -95.7 | 0 | 0 | 0 | 111.9 | Y84 V111 R112 F113 L119 F261 A295 | Y84-F115 HydrophobicContact CD2-CB 4.38Å; Y84-F115 HydrophobicContact CE2-CB 3.92Å; Y84-F115 AromaticContact CE2-CD2 3.82Å; Y84-F115 HydrophobicContact CE2-CD2 3.82Å; Y84-F115 HydrophobicContact CE2-CG 4.38Å; Y84-F115 AromaticContact CZ-CD2 3.79Å; Y84-F115 WeakPolarHBondContact OH-CD2 3.47Å; V111-F115 PolarHBondContact O-N 2.86Å; R112-F115 PolarHBondContact O-N 2.77Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-F115 PolarHBondContact O-N 3.4Å; F115-L119 HydrophobicContact CE1-CD2 4.5Å; F115-L119 WeakPolarHBondContact O-CB 3.19Å; F115-L119 PolarHBondContact O-N 3.01Å; F115-F261 HydrophobicContact CE1-CE1 4.27Å; F115-F261 HydrophobicContact CE1-CE2 4.18Å; F115-F261 AromaticContact CE1-CZ 3.71Å; F115-F261 HydrophobicContact CE1-CZ 3.71Å; F115-F261 HydrophobicContact CZ-CE1 4.45Å; F115-F261 HydrophobicContact CZ-CE2 4.02Å; F115-F261 AromaticContact CZ-CZ 3.94Å; F115-F261 HydrophobicContact CZ-CZ 3.94Å; F115-A295 HydrophobicContact CE2-CB 4.41Å; F115-A295 HydrophobicContact CZ-CB 4.16Å |
| 116 | Y | 95.7 | Very high | 96 | Very high | 12 Ų | 12 | 23.9 Ų | 23.9 | 5% | 0.047 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71 | -33.5 | 180 | -70.1 | -67 | 0 | 0 | 0 | 112.4 | R112 F113 L119 Y120 L167 F261 | R112-Y116 VanDerWaalsContact O-CD2 3.29Å; R112-Y116 WeakPolarHBondContact O-CD2 3.45Å; R112-Y116 PolarHBondContact O-N 2.72Å; F113-Y116 PolarHBondContact O-N 2.72Å; Y116-L119 HydrophobicContact CD1-CD2 4.28Å; Y116-L119 PolarHBondContact O-N 3.44Å; Y116-Y120 HydrophobicContact CD1-CE2 4.12Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.48Å; Y116-Y120 PolarHBondContact O-N 3Å; Y116-L167 VanDerWaalsContact C-CD1 3.47Å; Y116-F261 HydrophobicContact CE1-CE1 4.46Å; Y116-F261 HydrophobicContact CE1-CZ 4.13Å |
| 117 | W | 97.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 18.3 Ų | 18.3 | 7% | 0.068 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.4 | -54.9 | 175.1 | -177.7 | -83.4 | 0 | 0 | 0 | 110.6 | F113 Y120 C121 W160 V163 A164 L167 | F113-W117 HydrophobicContact CD1-CB 4.39Å; F113-W117 HydrophobicContact CE1-CB 4.28Å; F113-W117 HydrophobicContact CE1-CD2 4.06Å; F113-W117 AromaticContact CE1-CE3 3.51Å; F113-W117 HydrophobicContact CE1-CE3 3.51Å; F113-W117 HydrophobicContact CE1-CG 4.36Å; F113-W117 HydrophobicContact CE1-CZ3 4.2Å; F113-W117 AromaticContact CE2-CE3 3.92Å; F113-W117 HydrophobicContact CE2-CE3 3.92Å; F113-W117 HydrophobicContact CE2-CZ3 4.37Å; F113-W117 HydrophobicContact CZ-CD2 4.13Å; F113-W117 AromaticContact CZ-CE3 3.14Å; F113-W117 HydrophobicContact CZ-CE3 3.14Å; F113-W117 AromaticContact CZ-CZ3 3.55Å; F113-W117 HydrophobicContact CZ-CZ3 3.55Å; F113-W117 WeakPolarHBondContact O-CB 3.08Å; F113-W117 PolarHBondContact O-N 3.22Å; W117-Y120 PolarHBondContact O-N 3.05Å; W117-C121 VanDerWaalsContact CE2-SG 3.5Å; W117-C121 PolarHBondContact NE1-SG 3.01Å; W117-C121 WeakPolarHBondContact O-CB 3.16Å; W117-C121 PolarHBondContact O-N 3.24Å; W117-C121 PolarHBondContact O-SG 2.93Å; W117-W160 AromaticContact CE2-CE3 3.46Å; W117-W160 VanDerWaalsContact CE2-CE3 3.46Å; W117-W160 AromaticContact CE2-CZ3 3.29Å; W117-W160 HydrophobicContact CH2-CB 4.29Å; W117-W160 HydrophobicContact CH2-CD2 4.46Å; W117-W160 AromaticContact CH2-CE3 3.78Å; W117-W160 HydrophobicContact CH2-CE3 3.78Å; W117-W160 HydrophobicContact CH2-CZ3 4.41Å; W117-W160 WeakPolarHBondContact CH2-O 3.49Å; W117-W160 HydrophobicContact CZ2-CB 4.12Å; W117-W160 AromaticContact CZ2-CD2 3.56Å; W117-W160 HydrophobicContact CZ2-CD2 3.56Å; W117-W160 AromaticContact CZ2-CE3 2.89Å; W117-W160 HydrophobicContact CZ2-CE3 2.89Å; W117-W160 HydrophobicContact CZ2-CG 4.14Å; W117-W160 HydrophobicContact CZ2-CH2 4.29Å; W117-W160 AromaticContact CZ2-CZ3 3.32Å; W117-W160 HydrophobicContact CZ2-CZ3 3.32Å; W117-W160 AromaticContact NE1-CE3 3.62Å; W117-W160 AromaticContact NE1-CH2 3.34Å; W117-W160 VanDerWaalsContact NE1-CH2 3.34Å; W117-W160 AromaticContact NE1-CZ3 2.95Å; W117-V163 HydrophobicContact CD2-CG1 3.9Å; W117-V163 HydrophobicContact CE3-CG1 3.64Å; W117-V163 HydrophobicContact CH2-CB 4.21Å; W117-V163 HydrophobicContact CH2-CG1 4.17Å; W117-V163 HydrophobicContact CZ2-CB 4.34Å; W117-V163 HydrophobicContact CZ2-CG1 4.21Å; W117-V163 HydrophobicContact CZ3-CB 4.3Å; W117-V163 HydrophobicContact CZ3-CG1 3.9Å; W117-A164 HydrophobicContact CH2-CB 3.87Å; W117-A164 HydrophobicContact CZ3-CB 3.66Å; W117-L167 HydrophobicContact CB-CD1 4.3Å; W117-L167 HydrophobicContact CE3-CD1 4.44Å |
| 118 | N | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.011 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.3 | -51.8 | 176.6 | 170.6 | -103.4 | 0 | 0 | 0 | 111.1 | S80 D81 Y84 L114 Y120 C121 S122 N298 S299 | S80-N118 WeakPolarHBondContact OG-CA 3.43Å; D81-N118 VanDerWaalsContact CA-ND2 3.33Å; D81-N118 WeakPolarHBondContact CA-ND2 3.38Å; D81-N118 PolarHBondContact N-ND2 3.15Å; D81-N118 PolarHBondContact OD1-ND2 3.21Å; Y84-N118 HydrophobicContact CD1-CB 4.28Å; Y84-N118 HydrophobicContact CG-CB 3.9Å; L114-N118 WeakPolarHBondContact O-CB 3.47Å; L114-N118 PolarHBondContact O-N 3.43Å; N118-Y120 PolarHBondContact O-N 2.78Å; N118-C121 PolarHBondContact O-N 2.77Å; N118-S122 WeakPolarHBondContact O-CB 3.49Å; N118-S122 PolarHBondContact O-N 3.1Å; N118-S122 PolarHBondContact O-OG 3.3Å; N118-N298 PolarHBondContact OD1-ND2 3.44Å; N118-S299 PolarHBondContact OD1-OG 2.75Å |
| 119 | L | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -50.1 | -52.3 | -179.7 | -178.6 | 66.7 | 0 | 0 | 0 | 112.8 | F115 Y116 V123 F258 F261 A295 | F115-L119 HydrophobicContact CE1-CD2 4.5Å; F115-L119 WeakPolarHBondContact O-CB 3.19Å; F115-L119 PolarHBondContact O-N 3.01Å; Y116-L119 HydrophobicContact CD1-CD2 4.28Å; Y116-L119 PolarHBondContact O-N 3.44Å; L119-V123 WeakPolarHBondContact O-CG2 3.36Å; L119-V123 PolarHBondContact O-N 2.83Å; L119-V123 VanDerWaalsContact O-N 3.16Å; L119-F258 HydrophobicContact CD1-CD1 3.47Å; L119-F258 VanDerWaalsContact CD1-CD1 3.47Å; L119-F258 HydrophobicContact CD1-CE1 3.78Å; L119-F261 HydrophobicContact CD2-CD1 3.82Å; L119-F261 HydrophobicContact CD2-CE1 3.45Å; L119-F261 VanDerWaalsContact CD2-CE1 3.45Å; L119-F261 HydrophobicContact CD2-CZ 4.43Å; L119-A295 HydrophobicContact CD1-CB 4.18Å |
| 120 | Y | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 1% | 0.012 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -81.4 | -31.6 | -175.6 | -65.4 | -55.9 | 0 | 0 | 0 | 113.4 | Y116 W117 N118 S122 L124 L167 V204 L208 F209 H262 R265 | Y116-Y120 HydrophobicContact CD1-CE2 4.12Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.48Å; Y116-Y120 PolarHBondContact O-N 3Å; W117-Y120 PolarHBondContact O-N 3.05Å; N118-Y120 PolarHBondContact O-N 2.78Å; Y120-S122 VanDerWaalsContact C-N 3.34Å; Y120-L124 WeakPolarHBondContact O-CB 3.44Å; Y120-L124 WeakPolarHBondContact O-CG 3.33Å; Y120-L124 PolarHBondContact O-N 3.43Å; Y120-L167 HydrophobicContact CD2-CD1 4.07Å; Y120-L167 HydrophobicContact CD2-CD2 3.74Å; Y120-L167 HydrophobicContact CD2-CG 4.3Å; Y120-L167 HydrophobicContact CE2-CD2 3.74Å; Y120-V204 HydrophobicContact CE2-CG1 4.14Å; Y120-L208 HydrophobicContact CD1-CB 3.31Å; Y120-L208 HydrophobicContact CD1-CD1 4.08Å; Y120-L208 HydrophobicContact CD1-CG 4.36Å; Y120-L208 HydrophobicContact CD2-CB 4.4Å; Y120-L208 HydrophobicContact CD2-CD1 3.66Å; Y120-L208 HydrophobicContact CE1-CB 3.67Å; Y120-L208 HydrophobicContact CE2-CD1 4.13Å; Y120-L208 HydrophobicContact CG-CB 3.72Å; Y120-L208 HydrophobicContact CG-CD1 3.61Å; Y120-L208 HydrophobicContact CG-CG 4.34Å; Y120-F209 HydrophobicContact CE1-CB 4.26Å; Y120-H262 AromaticContact CE1-NE2 3.64Å; Y120-R265 PolarHBondContact OH-NH1 2.82Å; Y120-R265 PolarHBondContact OH-NH2 3.03Å; Y120-R265 VanDerWaalsContact OH-NH2 3.08Å |
| 121 | C | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 168.2 | -82.7 | 0 | 0 | 0 | 0 | 111 | S80 W117 N118 V123 L124 F125 | S80-C121 WeakPolarHBondContact OG-CB 3.46Å; W117-C121 VanDerWaalsContact CE2-SG 3.5Å; W117-C121 PolarHBondContact NE1-SG 3.01Å; W117-C121 WeakPolarHBondContact O-CB 3.16Å; W117-C121 PolarHBondContact O-N 3.24Å; W117-C121 PolarHBondContact O-SG 2.93Å; N118-C121 PolarHBondContact O-N 2.77Å; C121-V123 PolarHBondContact O-N 3.21Å; C121-L124 PolarHBondContact O-N 3.1Å; C121-F125 HydrophobicContact CB-CD2 4.09Å; C121-F125 HydrophobicContact CB-CE2 3.98Å; C121-F125 WeakPolarHBondContact O-CB 3.29Å; C121-F125 WeakPolarHBondContact O-CD2 3.21Å; C121-F125 WeakPolarHBondContact O-CG 3.3Å; C121-F125 PolarHBondContact O-N 3.34Å |
| 122 | S | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 179.5 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | L77 N118 Y120 L124 F125 L126 N298 | L77-S122 VanDerWaalsContact CD1-CA 3.45Å; L77-S122 WeakPolarHBondContact CD1-OG 3.37Å; N118-S122 WeakPolarHBondContact O-CB 3.49Å; N118-S122 PolarHBondContact O-N 3.1Å; N118-S122 PolarHBondContact O-OG 3.3Å; Y120-S122 VanDerWaalsContact C-N 3.34Å; S122-L124 PolarHBondContact O-N 3.27Å; S122-F125 PolarHBondContact O-N 3.44Å; S122-L126 VanDerWaalsContact O-CB 3.3Å; S122-L126 WeakPolarHBondContact O-CB 3.36Å; S122-L126 WeakPolarHBondContact O-CD1 3.28Å; S122-L126 WeakPolarHBondContact O-CG 3.34Å; S122-L126 PolarHBondContact O-N 3.5Å; S122-N298 WeakPolarHBondContact CB-OD1 3.22Å; S122-N298 PolarHBondContact OG-OD1 3.06Å |
| 123 | V | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55.6 | -51.3 | 174.6 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | L119 C121 L126 T127 L208 F209 P212 F254 F258 | L119-V123 WeakPolarHBondContact O-CG2 3.36Å; L119-V123 PolarHBondContact O-N 2.83Å; L119-V123 VanDerWaalsContact O-N 3.16Å; C121-V123 PolarHBondContact O-N 3.21Å; V123-L126 PolarHBondContact O-N 2.89Å; V123-T127 PolarHBondContact O-N 3.45Å; V123-T127 PolarHBondContact O-OG1 3.46Å; V123-L208 WeakPolarHBondContact CG1-O 3.2Å; V123-F209 HydrophobicContact CG2-CD2 4.34Å; V123-P212 HydrophobicContact CG1-CB 3.57Å; V123-P212 HydrophobicContact CG1-CG 4.14Å; V123-F254 HydrophobicContact CG1-CE1 4.03Å; V123-F254 HydrophobicContact CG1-CZ 4.09Å; V123-F254 HydrophobicContact CG2-CE1 4.31Å; V123-F258 HydrophobicContact CG2-CB 4.49Å; V123-F258 HydrophobicContact CG2-CD1 4Å; V123-F258 HydrophobicContact CG2-CD2 3.79Å; V123-F258 HydrophobicContact CG2-CE1 4.13Å; V123-F258 HydrophobicContact CG2-CE2 3.97Å; V123-F258 HydrophobicContact CG2-CG 3.84Å; V123-F258 HydrophobicContact CG2-CZ 4.14Å |
| 124 | L | 96.9 | Very high | 94 | Very high | 27 Ų | 27 | 13.6 Ų | 13.6 | 14% | 0.141 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.8 | -41 | -177.4 | -72.4 | 173.3 | 0 | 0 | 0 | 112.9 | Y120 C121 S122 T127 C128 V159 V163 L208 P212 | Y120-L124 WeakPolarHBondContact O-CB 3.44Å; Y120-L124 WeakPolarHBondContact O-CG 3.33Å; Y120-L124 PolarHBondContact O-N 3.43Å; C121-L124 PolarHBondContact O-N 3.1Å; S122-L124 PolarHBondContact O-N 3.27Å; L124-T127 WeakPolarHBondContact O-CB 3.29Å; L124-T127 PolarHBondContact O-N 2.86Å; L124-C128 PolarHBondContact O-N 3.22Å; L124-C128 PolarHBondContact O-SG 3.28Å; L124-V159 HydrophobicContact CB-CG1 3.77Å; L124-V159 HydrophobicContact CB-CG2 4.2Å; L124-V159 HydrophobicContact CD1-CG1 3.94Å; L124-V163 HydrophobicContact CD1-CG2 3.6Å; L124-L208 HydrophobicContact CD1-CD2 4.24Å; L124-P212 HydrophobicContact CD2-CB 4.18Å; L124-P212 HydrophobicContact CD2-CG 3.49Å; L124-P212 VanDerWaalsContact CD2-CG 3.49Å; L124-P212 HydrophobicContact CG-CG 4.47Å |
| 125 | F | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 176.8 | -75.2 | -53.1 | 0 | 0 | 0 | 112.1 | Y73 H76 L77 C121 S122 T127 C128 I129 C156 V159 W160 | Y73-F125 HydrophobicContact CD1-CD1 4.24Å; H76-F125 HydrophobicContact CB-CD2 4.47Å; H76-F125 HydrophobicContact CB-CE1 3.87Å; H76-F125 HydrophobicContact CB-CE2 3.79Å; H76-F125 HydrophobicContact CB-CZ 3.48Å; H76-F125 VanDerWaalsContact CB-CZ 3.48Å; L77-F125 HydrophobicContact CB-CB 4.36Å; L77-F125 HydrophobicContact CB-CD2 4.44Å; L77-F125 HydrophobicContact CD1-CB 4.23Å; L77-F125 HydrophobicContact CD1-CD2 4.43Å; C121-F125 HydrophobicContact CB-CD2 4.09Å; C121-F125 HydrophobicContact CB-CE2 3.98Å; C121-F125 WeakPolarHBondContact O-CB 3.29Å; C121-F125 WeakPolarHBondContact O-CD2 3.21Å; C121-F125 WeakPolarHBondContact O-CG 3.3Å; C121-F125 PolarHBondContact O-N 3.34Å; S122-F125 PolarHBondContact O-N 3.44Å; F125-T127 VanDerWaalsContact C-N 3.3Å; F125-T127 PolarHBondContact O-N 3.23Å; F125-C128 WeakPolarHBondContact O-CB 3.44Å; F125-C128 PolarHBondContact O-N 2.84Å; F125-I129 VanDerWaalsContact O-CG1 3.27Å; F125-I129 WeakPolarHBondContact O-CG1 3.36Å; F125-I129 PolarHBondContact O-N 3.11Å; F125-C156 HydrophobicContact CE1-CB 4.02Å; F125-C156 HydrophobicContact CZ-CB 4.42Å; F125-V159 HydrophobicContact CD1-CG1 4.47Å; F125-V159 HydrophobicContact CD2-CG1 4.5Å; F125-V159 HydrophobicContact CE1-CB 4.11Å; F125-V159 HydrophobicContact CE1-CG1 4Å; F125-V159 HydrophobicContact CE1-CG2 4.39Å; F125-V159 HydrophobicContact CE2-CG1 4.03Å; F125-V159 HydrophobicContact CZ-CB 4.13Å; F125-V159 HydrophobicContact CZ-CG1 3.73Å; F125-W160 HydrophobicContact CE2-CZ2 4.39Å; F125-W160 AromaticContact CZ-NE1 3.57Å |
| 126 | L | 91.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -37.1 | 172.8 | -70.3 | 170.1 | 0 | 0 | 0 | 111.4 | L77 S122 V123 I129 S130 V250 V253 F254 F258 L305 | L77-L126 HydrophobicContact CD2-CD2 4.2Å; L77-L126 HydrophobicContact CD2-CG 4.46Å; S122-L126 VanDerWaalsContact O-CB 3.3Å; S122-L126 WeakPolarHBondContact O-CB 3.36Å; S122-L126 WeakPolarHBondContact O-CD1 3.28Å; S122-L126 WeakPolarHBondContact O-CG 3.34Å; S122-L126 PolarHBondContact O-N 3.5Å; V123-L126 PolarHBondContact O-N 2.89Å; L126-I129 PolarHBondContact O-N 2.85Å; L126-S130 WeakPolarHBondContact O-CB 3.31Å; L126-S130 PolarHBondContact O-N 3.41Å; L126-S130 PolarHBondContact O-OG 2.87Å; L126-V250 HydrophobicContact CB-CG1 4.32Å; L126-V250 HydrophobicContact CD2-CG2 4.17Å; L126-V253 HydrophobicContact CD1-CG1 4.12Å; L126-F254 HydrophobicContact CB-CE2 3.97Å; L126-F254 HydrophobicContact CD1-CE2 4.25Å; L126-F258 HydrophobicContact CD1-CE2 3.61Å; L126-F258 HydrophobicContact CD1-CZ 4.07Å; L126-L305 HydrophobicContact CD2-CD2 3.92Å |
| 127 | T | 94.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 17 Ų | 17 | 8% | 0.08 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 171.2 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | V123 L124 F125 I129 S130 V131 P212 V215 T216 | V123-T127 PolarHBondContact O-N 3.45Å; V123-T127 PolarHBondContact O-OG1 3.46Å; L124-T127 WeakPolarHBondContact O-CB 3.29Å; L124-T127 PolarHBondContact O-N 2.86Å; F125-T127 VanDerWaalsContact C-N 3.3Å; F125-T127 PolarHBondContact O-N 3.23Å; T127-I129 VanDerWaalsContact C-N 3.33Å; T127-I129 PolarHBondContact O-N 3.37Å; T127-S130 WeakPolarHBondContact O-CB 3.44Å; T127-S130 PolarHBondContact O-N 2.94Å; T127-S130 VanDerWaalsContact O-N 3.11Å; T127-V131 HydrophobicContact CG2-CG2 4.4Å; T127-V131 WeakPolarHBondContact O-CG2 3.13Å; T127-V131 PolarHBondContact O-N 3.41Å; T127-P212 HydrophobicContact CG2-CB 4.35Å; T127-P212 WeakPolarHBondContact OG1-CB 3.46Å; T127-P212 PolarHBondContact OG1-O 3.46Å; T127-V215 HydrophobicContact CG2-CB 4Å; T127-V215 HydrophobicContact CG2-CG1 3.65Å; T127-T216 PolarHBondContact OG1-OG1 2.85Å |
| 128 | C | 93.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 17.2 Ų | 17.2 | 15% | 0.149 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.9 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | Y73 L124 F125 S130 V131 H132 | Y73-C128 HydrophobicContact CD1-CB 4.13Å; Y73-C128 HydrophobicContact CD2-CB 4.26Å; Y73-C128 HydrophobicContact CE1-CB 4.09Å; Y73-C128 HydrophobicContact CE2-CB 4.2Å; Y73-C128 HydrophobicContact CG-CB 4.26Å; L124-C128 PolarHBondContact O-N 3.22Å; L124-C128 PolarHBondContact O-SG 3.28Å; F125-C128 WeakPolarHBondContact O-CB 3.44Å; F125-C128 PolarHBondContact O-N 2.84Å; C128-S130 VanDerWaalsContact C-N 3.34Å; C128-V131 PolarHBondContact O-N 2.91Å; C128-H132 WeakPolarHBondContact O-CB 3.4Å; C128-H132 PolarHBondContact O-N 3.46Å |
| 129 | I | 90.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60 | -47.1 | 173.9 | -68.9 | 164.1 | 0 | 0 | 0 | 109.7 | Y73 M74 F125 L126 T127 V131 H132 R133 L305 | Y73-I129 HydrophobicContact CD2-CG1 4.15Å; Y73-I129 HydrophobicContact CG-CG1 4.37Å; M74-I129 HydrophobicContact CG-CD1 4.31Å; F125-I129 VanDerWaalsContact O-CG1 3.27Å; F125-I129 WeakPolarHBondContact O-CG1 3.36Å; F125-I129 PolarHBondContact O-N 3.11Å; L126-I129 PolarHBondContact O-N 2.85Å; T127-I129 VanDerWaalsContact C-N 3.33Å; T127-I129 PolarHBondContact O-N 3.37Å; I129-V131 PolarHBondContact O-N 3.47Å; I129-H132 PolarHBondContact O-N 3.12Å; I129-R133 HydrophobicContact CG2-CG 4.45Å; I129-R133 VanDerWaalsContact O-CG 3.27Å; I129-R133 WeakPolarHBondContact O-CG 3.35Å; I129-R133 PolarHBondContact O-N 2.87Å; I129-L305 HydrophobicContact CD1-CD2 4.11Å |
| 130 | S | 89.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | -179.8 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | L126 T127 C128 R133 Y134 Y220 | L126-S130 WeakPolarHBondContact O-CB 3.31Å; L126-S130 PolarHBondContact O-N 3.41Å; L126-S130 PolarHBondContact O-OG 2.87Å; T127-S130 WeakPolarHBondContact O-CB 3.44Å; T127-S130 PolarHBondContact O-N 2.94Å; T127-S130 VanDerWaalsContact O-N 3.11Å; C128-S130 VanDerWaalsContact C-N 3.34Å; S130-R133 PolarHBondContact O-N 3.42Å; S130-Y134 WeakPolarHBondContact O-CB 3.4Å; S130-Y134 PolarHBondContact O-N 3.28Å; S130-Y220 PolarHBondContact OG-OH 3.22Å |
| 131 | V | 92.3 | Very high | 90.6 | Very high | 29 Ų | 29 | 31.2 Ų | 31.2 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | T127 C128 I129 R133 Y134 L135 W146 V215 | T127-V131 HydrophobicContact CG2-CG2 4.4Å; T127-V131 WeakPolarHBondContact O-CG2 3.13Å; T127-V131 PolarHBondContact O-N 3.41Å; C128-V131 PolarHBondContact O-N 2.91Å; I129-V131 PolarHBondContact O-N 3.47Å; V131-R133 VanDerWaalsContact C-N 3.3Å; V131-R133 PolarHBondContact O-N 3.45Å; V131-Y134 PolarHBondContact O-N 2.92Å; V131-L135 HydrophobicContact CG1-CD1 4.12Å; V131-L135 HydrophobicContact CG1-CG 4.37Å; V131-L135 WeakPolarHBondContact O-CG 3.35Å; V131-L135 PolarHBondContact O-N 3.27Å; V131-W146 HydrophobicContact CG1-CE3 4.32Å; V131-W146 HydrophobicContact CG1-CH2 4.17Å; V131-W146 HydrophobicContact CG1-CZ3 3.67Å; V131-V215 HydrophobicContact CG2-CG1 3.82Å |
| 132 | H | 89.3 | Confident | 90 | Very high | 29 Ų | 29 | 39 Ų | 39 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 177.9 | -178.2 | -117.7 | 0 | 0 | 0 | 111.7 | T70 Y73 C128 I129 L135 G136 | T70-H132 PolarHBondContact OG1-CE1 3.06Å; T70-H132 PolarHBondContact OG1-ND1 2.81Å; Y73-H132 HydrophobicContact CE2-CB 4.32Å; C128-H132 WeakPolarHBondContact O-CB 3.4Å; C128-H132 PolarHBondContact O-N 3.46Å; I129-H132 PolarHBondContact O-N 3.12Å; H132-L135 PolarHBondContact O-N 3.46Å; H132-G136 PolarHBondContact O-N 2.86Å |
| 133 | R | 87.1 | Confident | 89.5 | Confident | 56 Ų | 56 | 39.7 Ų | 39.7 | 21% | 0.211 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 174.5 | -67.5 | -58.8 | -61.4 | -171.3 | -0.3 | 112.3 | I129 S130 V131 L135 G136 I137 M223 S243 T246 | I129-R133 HydrophobicContact CG2-CG 4.45Å; I129-R133 VanDerWaalsContact O-CG 3.27Å; I129-R133 WeakPolarHBondContact O-CG 3.35Å; I129-R133 PolarHBondContact O-N 2.87Å; S130-R133 PolarHBondContact O-N 3.42Å; V131-R133 VanDerWaalsContact C-N 3.3Å; V131-R133 PolarHBondContact O-N 3.45Å; R133-L135 VanDerWaalsContact C-N 3.34Å; R133-L135 PolarHBondContact O-N 2.98Å; R133-G136 PolarHBondContact O-N 3.44Å; R133-G136 VanDerWaalsContact O-N 3.16Å; R133-I137 PolarHBondContact O-N 2.85Å; R133-I137 VanDerWaalsContact O-N 3.12Å; R133-M223 HydrophobicContact CB-CE 4.46Å; R133-M223 HydrophobicContact CB-SD 4.46Å; R133-S243 PolarHBondContact NH2-OG 3.43Å; R133-T246 HydrophobicContact CG-CG2 4.47Å |
| 134 | Y | 89.1 | Confident | 89 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.1 | -46.9 | 175.5 | 163.1 | -103.6 | 0 | 0 | 0 | 111.4 | S130 V131 G136 I137 C138 H139 C219 L222 | S130-Y134 WeakPolarHBondContact O-CB 3.4Å; S130-Y134 PolarHBondContact O-N 3.28Å; V131-Y134 PolarHBondContact O-N 2.92Å; Y134-G136 VanDerWaalsContact C-N 3.33Å; Y134-G136 PolarHBondContact O-N 3.17Å; Y134-I137 PolarHBondContact O-N 2.88Å; Y134-C138 HydrophobicContact CD2-CB 4.02Å; Y134-C138 VanDerWaalsContact CD2-SG 3.54Å; Y134-C138 HydrophobicContact CE2-CB 3.63Å; Y134-C138 WeakPolarHBondContact CE2-SG 3.31Å; Y134-C138 WeakPolarHBondContact O-CB 3.43Å; Y134-C138 PolarHBondContact O-N 3.23Å; Y134-H139 AromaticContact CE1-CD2 3.93Å; Y134-H139 AromaticContact CZ-CD2 3.82Å; Y134-H139 AromaticContact CZ-NE2 3.83Å; Y134-H139 PolarHBondContact OH-NE2 3.31Å; Y134-H139 VanDerWaalsContact OH-NE2 3.17Å; Y134-C219 HydrophobicContact CG-CB 4.41Å; Y134-L222 HydrophobicContact CD2-CB 4.15Å; Y134-L222 HydrophobicContact CE2-CB 3.71Å; Y134-L222 HydrophobicContact CE2-CD1 3.77Å; Y134-L222 HydrophobicContact CE2-CG 4.41Å |
| 135 | L | 90.1 | Very high | 88.5 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.8 | -68.7 | 175 | 0 | 0 | 0 | 111.4 | V131 H132 R133 I137 H139 R142 A143 W146 | V131-L135 HydrophobicContact CG1-CD1 4.12Å; V131-L135 HydrophobicContact CG1-CG 4.37Å; V131-L135 WeakPolarHBondContact O-CG 3.35Å; V131-L135 PolarHBondContact O-N 3.27Å; H132-L135 PolarHBondContact O-N 3.46Å; R133-L135 VanDerWaalsContact C-N 3.34Å; R133-L135 PolarHBondContact O-N 2.98Å; L135-I137 VanDerWaalsContact C-N 3.27Å; L135-I137 PolarHBondContact O-N 3.37Å; L135-H139 HydrophobicContact CD2-CB 4.24Å; L135-H139 CarbonylContact O-C 3.59Å; L135-H139 VanDerWaalsContact O-CA 3.24Å; L135-H139 WeakPolarHBondContact O-CA 3.41Å; L135-H139 PolarHBondContact O-N 3.41Å; L135-R142 HydrophobicContact CD2-CB 4.4Å; L135-A143 HydrophobicContact CB-CB 4.23Å; L135-W146 HydrophobicContact CD1-CB 4.01Å; L135-W146 HydrophobicContact CD1-CD2 3.37Å; L135-W146 HydrophobicContact CD1-CE3 3.5Å; L135-W146 VanDerWaalsContact CD1-CE3 3.5Å; L135-W146 HydrophobicContact CD1-CG 3.6Å; L135-W146 HydrophobicContact CD1-CZ3 4.14Å |
| 136 | G | 86.3 | Confident | 88 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.8 | -34.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | H132 R133 Y134 | H132-G136 PolarHBondContact O-N 2.86Å; R133-G136 PolarHBondContact O-N 3.44Å; R133-G136 VanDerWaalsContact O-N 3.16Å; Y134-G136 VanDerWaalsContact C-N 3.33Å; Y134-G136 PolarHBondContact O-N 3.17Å |
| 137 | I | 84.3 | Confident | 87.6 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -91.8 | -45.6 | -176.9 | -64.6 | -179.5 | 0 | 0 | 0 | 111.8 | R133 Y134 L135 M223 L227 S243 | R133-I137 PolarHBondContact O-N 2.85Å; R133-I137 VanDerWaalsContact O-N 3.12Å; Y134-I137 PolarHBondContact O-N 2.88Å; L135-I137 VanDerWaalsContact C-N 3.27Å; L135-I137 PolarHBondContact O-N 3.37Å; I137-M223 HydrophobicContact CD1-CG 3.78Å; I137-M223 HydrophobicContact CD1-SD 3.34Å; I137-M223 WeakPolarHBondContact CD1-SD 3.35Å; I137-M223 HydrophobicContact CG1-SD 4.41Å; I137-L227 HydrophobicContact CD1-CD1 4.47Å; I137-L227 HydrophobicContact CD1-CD2 4.43Å; I137-L227 HydrophobicContact CG2-CD2 4.26Å; I137-S243 VanDerWaalsContact CD1-OG 3.23Å; I137-S243 WeakPolarHBondContact CD1-OG 3.4Å |
| 138 | C | 85.7 | Confident | 87.3 | Confident | 21 Ų | 21 | 66 Ų | 66 | 14% | 0.142 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -91.5 | -24.6 | -172.1 | -60.7 | 0 | 0 | 0 | 0 | 113 | Y134 | Y134-C138 HydrophobicContact CD2-CB 4.02Å; Y134-C138 VanDerWaalsContact CD2-SG 3.54Å; Y134-C138 HydrophobicContact CE2-CB 3.63Å; Y134-C138 WeakPolarHBondContact CE2-SG 3.31Å; Y134-C138 WeakPolarHBondContact O-CB 3.43Å; Y134-C138 PolarHBondContact O-N 3.23Å |
| 139 | H | 86.6 | Confident | 87 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 30% | 0.296 | 33% | 0.334 | S | S | . | . | trans | -144.7 | 61.4 | -171 | -61 | -76 | 0 | 0 | 0 | 112.5 | Y134 L135 L141 R142 A143 | Y134-H139 AromaticContact CE1-CD2 3.93Å; Y134-H139 AromaticContact CZ-CD2 3.82Å; Y134-H139 AromaticContact CZ-NE2 3.83Å; Y134-H139 PolarHBondContact OH-NE2 3.31Å; Y134-H139 VanDerWaalsContact OH-NE2 3.17Å; L135-H139 HydrophobicContact CD2-CB 4.24Å; L135-H139 CarbonylContact O-C 3.59Å; L135-H139 VanDerWaalsContact O-CA 3.24Å; L135-H139 WeakPolarHBondContact O-CA 3.41Å; L135-H139 PolarHBondContact O-N 3.41Å; H139-L141 VanDerWaalsContact C-N 3.28Å; H139-L141 PolarHBondContact O-N 3.31Å; H139-L141 VanDerWaalsContact O-N 3.11Å; H139-R142 HydrophobicContact CB-CB 4.11Å; H139-R142 HydrophobicContact CB-CG 4.29Å; H139-R142 WeakPolarHBondContact O-CA 3.29Å; H139-R142 WeakPolarHBondContact O-CB 3.38Å; H139-R142 PolarHBondContact O-N 3.42Å; H139-A143 PolarHBondContact O-N 2.99Å | ||
| 140 | P | 84.4 | Confident | 87.1 | Confident | 85 Ų | 85 | 78.7 Ų | 78.7 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.8 | -33.5 | -168 | 21.7 | -34 | 0 | 0 | 0 | 114.4 | R142 A143 L144 | P140-R142 PolarHBondContact O-N 2.99Å; P140-A143 WeakPolarHBondContact O-CB 3.45Å; P140-A143 PolarHBondContact O-N 3.36Å; P140-L144 PolarHBondContact O-N 3.46Å; P140-L144 VanDerWaalsContact O-N 3.15Å |
| 141 | L | 85.9 | Confident | 87.3 | Confident | 152 Ų | 152 | 81.5 Ų | 81.5 | 80% | 0.796 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.3 | -35.3 | 175.9 | -62.9 | 177.2 | 0 | 0 | 0 | 112.7 | H139 | H139-L141 VanDerWaalsContact C-N 3.28Å; H139-L141 PolarHBondContact O-N 3.31Å; H139-L141 VanDerWaalsContact O-N 3.11Å |
| 142 | R | 86.3 | Confident | 87.4 | Confident | 162 Ų | 162 | 80.1 Ų | 80.1 | 61% | 0.611 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -73.3 | -36.5 | 173.6 | -65.1 | -175.2 | 179.5 | -176.4 | -0.2 | 110.9 | L135 H139 P140 L144 R145 W146 | L135-R142 HydrophobicContact CD2-CB 4.4Å; H139-R142 HydrophobicContact CB-CB 4.11Å; H139-R142 HydrophobicContact CB-CG 4.29Å; H139-R142 WeakPolarHBondContact O-CA 3.29Å; H139-R142 WeakPolarHBondContact O-CB 3.38Å; H139-R142 PolarHBondContact O-N 3.42Å; P140-R142 PolarHBondContact O-N 2.99Å; R142-L144 PolarHBondContact O-N 2.8Å; R142-R145 PolarHBondContact O-N 3.41Å; R142-R145 VanDerWaalsContact O-N 3.11Å; R142-W146 PolarHBondContact O-N 3.25Å |
| 143 | A | 84.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 80 Ų | 80 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.6 | -33.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L135 H139 P140 R145 W146 G147 | L135-A143 HydrophobicContact CB-CB 4.23Å; H139-A143 PolarHBondContact O-N 2.99Å; P140-A143 WeakPolarHBondContact O-CB 3.45Å; P140-A143 PolarHBondContact O-N 3.36Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 PolarHBondContact O-N 2.98Å; A143-W146 CarbonylContact O-C 3.59Å; A143-W146 PolarHBondContact O-N 2.98Å; A143-G147 WeakPolarHBondContact O-CA 3.2Å; A143-G147 PolarHBondContact O-N 2.95Å |
| 144 | L | 84.6 | Confident | 88.1 | Confident | 136 Ų | 136 | 82.7 Ų | 82.7 | 71% | 0.712 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 176.5 | -170.1 | 64.1 | 0 | 0 | 0 | 112.7 | P140 R142 | P140-L144 PolarHBondContact O-N 3.46Å; P140-L144 VanDerWaalsContact O-N 3.15Å; R142-L144 PolarHBondContact O-N 2.8Å |
| 145 | R | 86.1 | Confident | 88.5 | Confident | 175 Ų | 175 | 82 Ų | 82 | 66% | 0.66 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -72.3 | -44.9 | 175.2 | -63.8 | -176.8 | -175.4 | -173.1 | 1 | 111.3 | R142 A143 G147 R148 | R142-R145 PolarHBondContact O-N 3.41Å; R142-R145 VanDerWaalsContact O-N 3.11Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 PolarHBondContact O-N 2.98Å; R145-G147 VanDerWaalsContact C-N 3.28Å; R145-G147 PolarHBondContact O-N 3.04Å; R145-R148 WeakPolarHBondContact O-CB 3.37Å; R145-R148 WeakPolarHBondContact O-CG 3.33Å; R145-R148 PolarHBondContact O-N 3.25Å |
| 146 | W | 85.2 | Confident | 88.9 | Confident | 103 Ų | 103 | 81.4 Ų | 81.4 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.4 | -22 | 179.4 | -86.6 | 58.3 | 0 | 0 | 0 | 114 | V131 L135 R142 A143 R148 L151 I155 | V131-W146 HydrophobicContact CG1-CE3 4.32Å; V131-W146 HydrophobicContact CG1-CH2 4.17Å; V131-W146 HydrophobicContact CG1-CZ3 3.67Å; L135-W146 HydrophobicContact CD1-CB 4.01Å; L135-W146 HydrophobicContact CD1-CD2 3.37Å; L135-W146 HydrophobicContact CD1-CE3 3.5Å; L135-W146 VanDerWaalsContact CD1-CE3 3.5Å; L135-W146 HydrophobicContact CD1-CG 3.6Å; L135-W146 HydrophobicContact CD1-CZ3 4.14Å; R142-W146 PolarHBondContact O-N 3.25Å; A143-W146 CarbonylContact O-C 3.59Å; A143-W146 PolarHBondContact O-N 2.98Å; W146-R148 PolarHBondContact O-N 2.95Å; W146-L151 HydrophobicContact CG-CD2 4.39Å; W146-I155 HydrophobicContact CE3-CD1 4.37Å; W146-I155 HydrophobicContact CZ3-CD1 4.24Å |
| 147 | G | 84.1 | Confident | 89.4 | Confident | 23 Ų | 23 | 84.2 Ų | 84.2 | 24% | 0.237 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A143 R145 | A143-G147 WeakPolarHBondContact O-CA 3.2Å; A143-G147 PolarHBondContact O-N 2.95Å; R145-G147 VanDerWaalsContact C-N 3.28Å; R145-G147 PolarHBondContact O-N 3.04Å |
| 148 | R | 88.5 | Confident | 90.1 | Very high | 157 Ų | 157 | 83.9 Ų | 83.9 | 59% | 0.592 | 41% | 0.412 | S | S | * | . | trans | -68 | 126.7 | 179.4 | -71.9 | -176.3 | 179.5 | 148.2 | -2.3 | 110.6 | R145 W146 R150 L151 A152 | R145-R148 WeakPolarHBondContact O-CB 3.37Å; R145-R148 WeakPolarHBondContact O-CG 3.33Å; R145-R148 PolarHBondContact O-N 3.25Å; W146-R148 PolarHBondContact O-N 2.95Å; R148-R150 PolarHBondContact O-N 3.13Å; R148-R150 VanDerWaalsContact O-N 3.15Å; R148-L151 HydrophobicContact CB-CB 4.43Å; R148-L151 PolarHBondContact O-N 3.17Å; R148-A152 PolarHBondContact O-N 2.7Å; R148-A152 VanDerWaalsContact O-N 3.09Å | ||
| 149 | P | 87.4 | Confident | 90.7 | Very high | 68 Ų | 68 | 83.5 Ų | 83.5 | 44% | 0.442 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.6 | -33.7 | -177.1 | -26.5 | 35.2 | 0 | 0 | 0 | 113.8 | W67 A152 G153 | W67-P149 WeakPolarHBondContact O-CG 3.48Å; P149-A152 PolarHBondContact O-N 2.7Å; P149-G153 PolarHBondContact O-N 3.41Å |
| 150 | R | 91.3 | Very high | 91.2 | Very high | 224 Ų | 224 | 82.8 Ų | 82.8 | 85% | 0.845 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62 | -45.5 | 175.8 | -67.2 | -175.2 | -176.9 | 168.2 | 0.5 | 112.2 | R148 G153 L154 | R148-R150 PolarHBondContact O-N 3.13Å; R148-R150 VanDerWaalsContact O-N 3.15Å; R150-G153 PolarHBondContact O-N 3.35Å; R150-L154 WeakPolarHBondContact O-CG 3.35Å; R150-L154 PolarHBondContact O-N 3Å |
| 151 | L | 94.1 | Very high | 91.9 | Very high | 58 Ų | 58 | 84.1 Ų | 84.1 | 30% | 0.304 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 178.6 | 178.3 | 56.7 | 0 | 0 | 0 | 110.7 | W146 R148 G153 L154 I155 | W146-L151 HydrophobicContact CG-CD2 4.39Å; R148-L151 HydrophobicContact CB-CB 4.43Å; R148-L151 PolarHBondContact O-N 3.17Å; L151-G153 VanDerWaalsContact C-N 3.31Å; L151-G153 PolarHBondContact O-N 3.15Å; L151-L154 PolarHBondContact O-N 3.21Å; L151-I155 HydrophobicContact CD1-CD1 4.19Å; L151-I155 HydrophobicContact CD1-CG1 4.32Å; L151-I155 HydrophobicContact CG-CD1 4.02Å; L151-I155 WeakPolarHBondContact O-CG1 3.4Å; L151-I155 PolarHBondContact O-N 2.98Å |
| 152 | A | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A69 T72 Y73 R148 P149 I155 C156 | A69-A152 HydrophobicContact CB-CB 3.69Å; T72-A152 HydrophobicContact CG2-CB 4.23Å; Y73-A152 HydrophobicContact CE1-CB 4.08Å; R148-A152 PolarHBondContact O-N 2.7Å; R148-A152 VanDerWaalsContact O-N 3.09Å; P149-A152 PolarHBondContact O-N 2.7Å; A152-I155 PolarHBondContact O-N 3.47Å; A152-C156 PolarHBondContact O-N 3.37Å; A152-C156 PolarHBondContact O-SG 2.92Å |
| 153 | G | 95.5 | Very high | 93 | Very high | 28 Ų | 28 | 72.5 Ų | 72.5 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P149 R150 L151 C156 L157 | P149-G153 PolarHBondContact O-N 3.41Å; R150-G153 PolarHBondContact O-N 3.35Å; L151-G153 VanDerWaalsContact C-N 3.31Å; L151-G153 PolarHBondContact O-N 3.15Å; G153-C156 WeakPolarHBondContact O-CB 3.37Å; G153-C156 PolarHBondContact O-N 3.4Å; G153-L157 PolarHBondContact O-N 3.43Å |
| 154 | L | 96.9 | Very high | 93.6 | Very high | 111 Ų | 111 | 73 Ų | 73 | 58% | 0.581 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 174.3 | -70 | 173.4 | 0 | 0 | 0 | 112.1 | R150 L151 C156 L157 A158 | R150-L154 WeakPolarHBondContact O-CG 3.35Å; R150-L154 PolarHBondContact O-N 3Å; L151-L154 PolarHBondContact O-N 3.21Å; L154-C156 VanDerWaalsContact C-N 3.33Å; L154-L157 PolarHBondContact O-N 2.94Å; L154-A158 WeakPolarHBondContact O-CB 3.25Å; L154-A158 PolarHBondContact O-N 2.95Å |
| 155 | I | 97 | Very high | 94.2 | Very high | 34 Ų | 34 | 69.1 Ų | 69.1 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 174.7 | -69.6 | 166.6 | 0 | 0 | 0 | 110.3 | Y73 W146 L151 A152 A158 V159 | Y73-I155 HydrophobicContact CE1-CB 4.17Å; Y73-I155 HydrophobicContact CE1-CG2 3.86Å; Y73-I155 WeakPolarHBondContact OH-CD1 3.17Å; W146-I155 HydrophobicContact CE3-CD1 4.37Å; W146-I155 HydrophobicContact CZ3-CD1 4.24Å; L151-I155 HydrophobicContact CD1-CD1 4.19Å; L151-I155 HydrophobicContact CD1-CG1 4.32Å; L151-I155 HydrophobicContact CG-CD1 4.02Å; L151-I155 WeakPolarHBondContact O-CG1 3.4Å; L151-I155 PolarHBondContact O-N 2.98Å; A152-I155 PolarHBondContact O-N 3.47Å; I155-A158 PolarHBondContact O-N 2.93Å; I155-V159 WeakPolarHBondContact O-CG2 3.47Å; I155-V159 PolarHBondContact O-N 3.4Å |
| 156 | C | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59 | -52 | 175.3 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | Y73 H76 F125 A152 G153 L154 A158 V159 W160 | Y73-C156 WeakPolarHBondContact CD1-SG 3.44Å; H76-C156 PolarHBondContact CD2-SG 2.95Å; F125-C156 HydrophobicContact CE1-CB 4.02Å; F125-C156 HydrophobicContact CZ-CB 4.42Å; A152-C156 PolarHBondContact O-N 3.37Å; A152-C156 PolarHBondContact O-SG 2.92Å; G153-C156 WeakPolarHBondContact O-CB 3.37Å; G153-C156 PolarHBondContact O-N 3.4Å; L154-C156 VanDerWaalsContact C-N 3.33Å; C156-A158 VanDerWaalsContact C-N 3.27Å; C156-A158 PolarHBondContact O-N 3.04Å; C156-V159 WeakPolarHBondContact O-CA 3.3Å; C156-V159 WeakPolarHBondContact O-CB 3.3Å; C156-V159 PolarHBondContact O-N 3.47Å; C156-W160 PolarHBondContact O-N 3.41Å |
| 157 | L | 97.9 | Very high | 95.1 | Very high | 98 Ų | 98 | 57 Ų | 57 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.7 | -44.1 | 177.1 | 179.6 | 61.5 | 0 | 0 | 0 | 111.7 | G153 L154 V159 W160 L161 | G153-L157 PolarHBondContact O-N 3.43Å; L154-L157 PolarHBondContact O-N 2.94Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-V159 PolarHBondContact O-N 3.45Å; L157-W160 PolarHBondContact O-N 3.23Å; L157-L161 HydrophobicContact CD1-CD1 4.37Å; L157-L161 HydrophobicContact CD1-CG 4.32Å; L157-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 3.32Å |
| 158 | A | 98.2 | Very high | 95.6 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L154 I155 C156 L161 V162 | L154-A158 WeakPolarHBondContact O-CB 3.25Å; L154-A158 PolarHBondContact O-N 2.95Å; I155-A158 PolarHBondContact O-N 2.93Å; C156-A158 VanDerWaalsContact C-N 3.27Å; C156-A158 PolarHBondContact O-N 3.04Å; A158-L161 PolarHBondContact O-N 2.94Å; A158-V162 WeakPolarHBondContact O-CB 3.42Å; A158-V162 VanDerWaalsContact O-CG2 3.29Å; A158-V162 WeakPolarHBondContact O-CG2 3.28Å; A158-V162 PolarHBondContact O-N 3.43Å |
| 159 | V | 98.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 173.7 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | L124 F125 I155 C156 L157 L161 V162 V163 | L124-V159 HydrophobicContact CB-CG1 3.77Å; L124-V159 HydrophobicContact CB-CG2 4.2Å; L124-V159 HydrophobicContact CD1-CG1 3.94Å; F125-V159 HydrophobicContact CD1-CG1 4.47Å; F125-V159 HydrophobicContact CD2-CG1 4.5Å; F125-V159 HydrophobicContact CE1-CB 4.11Å; F125-V159 HydrophobicContact CE1-CG1 4Å; F125-V159 HydrophobicContact CE1-CG2 4.39Å; F125-V159 HydrophobicContact CE2-CG1 4.03Å; F125-V159 HydrophobicContact CZ-CB 4.13Å; F125-V159 HydrophobicContact CZ-CG1 3.73Å; I155-V159 WeakPolarHBondContact O-CG2 3.47Å; I155-V159 PolarHBondContact O-N 3.4Å; C156-V159 WeakPolarHBondContact O-CA 3.3Å; C156-V159 WeakPolarHBondContact O-CB 3.3Å; C156-V159 PolarHBondContact O-N 3.47Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-V159 PolarHBondContact O-N 3.45Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 3.32Å; V159-V162 PolarHBondContact O-N 2.81Å; V159-V163 HydrophobicContact CG1-CG2 4.42Å; V159-V163 WeakPolarHBondContact O-CB 3.2Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.27Å; V159-V163 PolarHBondContact O-N 3.4Å |
| 160 | W | 98.1 | Very high | 95.7 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 176.6 | -71.1 | 91.5 | 0 | 0 | 0 | 110.9 | H76 L79 L83 W117 F125 C156 L157 V163 A164 | H76-W160 HydrophobicContact CB-CZ2 4.48Å; H76-W160 AromaticContact CE1-NE1 3.88Å; H76-W160 AromaticContact CG-NE1 3.76Å; H76-W160 AromaticContact ND1-CE2 3.83Å; H76-W160 AromaticContact ND1-NE1 3.1Å; H76-W160 PolarHBondContact ND1-NE1 3.3Å; H76-W160 VanDerWaalsContact ND1-NE1 3.1Å; L79-W160 HydrophobicContact CD2-CZ2 4.46Å; L83-W160 HydrophobicContact CD1-CH2 4.4Å; W117-W160 AromaticContact CE2-CE3 3.46Å; W117-W160 VanDerWaalsContact CE2-CE3 3.46Å; W117-W160 AromaticContact CE2-CZ3 3.29Å; W117-W160 HydrophobicContact CH2-CB 4.29Å; W117-W160 HydrophobicContact CH2-CD2 4.46Å; W117-W160 AromaticContact CH2-CE3 3.78Å; W117-W160 HydrophobicContact CH2-CE3 3.78Å; W117-W160 HydrophobicContact CH2-CZ3 4.41Å; W117-W160 WeakPolarHBondContact CH2-O 3.49Å; W117-W160 HydrophobicContact CZ2-CB 4.12Å; W117-W160 AromaticContact CZ2-CD2 3.56Å; W117-W160 HydrophobicContact CZ2-CD2 3.56Å; W117-W160 AromaticContact CZ2-CE3 2.89Å; W117-W160 HydrophobicContact CZ2-CE3 2.89Å; W117-W160 HydrophobicContact CZ2-CG 4.14Å; W117-W160 HydrophobicContact CZ2-CH2 4.29Å; W117-W160 AromaticContact CZ2-CZ3 3.32Å; W117-W160 HydrophobicContact CZ2-CZ3 3.32Å; W117-W160 AromaticContact NE1-CE3 3.62Å; W117-W160 AromaticContact NE1-CH2 3.34Å; W117-W160 VanDerWaalsContact NE1-CH2 3.34Å; W117-W160 AromaticContact NE1-CZ3 2.95Å; F125-W160 HydrophobicContact CE2-CZ2 4.39Å; F125-W160 AromaticContact CZ-NE1 3.57Å; C156-W160 PolarHBondContact O-N 3.41Å; L157-W160 PolarHBondContact O-N 3.23Å; W160-V163 PolarHBondContact O-N 3.41Å; W160-A164 VanDerWaalsContact O-CB 3.29Å; W160-A164 WeakPolarHBondContact O-CB 3.35Å; W160-A164 PolarHBondContact O-N 3.02Å |
| 161 | L | 98.3 | Very high | 95.6 | Very high | 112 Ų | 112 | 42.5 Ų | 42.5 | 59% | 0.586 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | -179.4 | -67.2 | 175.2 | 0 | 0 | 0 | 113.1 | L157 A158 V159 A164 G165 | L157-L161 HydrophobicContact CD1-CD1 4.37Å; L157-L161 HydrophobicContact CD1-CG 4.32Å; L157-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 3.32Å; A158-L161 PolarHBondContact O-N 2.94Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 3.32Å; L161-A164 PolarHBondContact O-N 2.82Å; L161-G165 PolarHBondContact O-N 3.05Å |
| 162 | V | 98 | Very high | 95.3 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 177 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | A158 V159 G165 C166 L208 | A158-V162 WeakPolarHBondContact O-CB 3.42Å; A158-V162 VanDerWaalsContact O-CG2 3.29Å; A158-V162 WeakPolarHBondContact O-CG2 3.28Å; A158-V162 PolarHBondContact O-N 3.43Å; V159-V162 PolarHBondContact O-N 2.81Å; V162-G165 PolarHBondContact O-N 3.43Å; V162-C166 WeakPolarHBondContact O-CB 3.29Å; V162-C166 PolarHBondContact O-N 2.92Å; V162-C166 VanDerWaalsContact O-N 3.08Å; V162-C166 PolarHBondContact O-SG 3.44Å; V162-L208 HydrophobicContact CG1-CD2 3.85Å |
| 163 | V | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | W117 L124 V159 W160 C166 L167 | W117-V163 HydrophobicContact CD2-CG1 3.9Å; W117-V163 HydrophobicContact CE3-CG1 3.64Å; W117-V163 HydrophobicContact CH2-CB 4.21Å; W117-V163 HydrophobicContact CH2-CG1 4.17Å; W117-V163 HydrophobicContact CZ2-CB 4.34Å; W117-V163 HydrophobicContact CZ2-CG1 4.21Å; W117-V163 HydrophobicContact CZ3-CB 4.3Å; W117-V163 HydrophobicContact CZ3-CG1 3.9Å; L124-V163 HydrophobicContact CD1-CG2 3.6Å; V159-V163 HydrophobicContact CG1-CG2 4.42Å; V159-V163 WeakPolarHBondContact O-CB 3.2Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.27Å; V159-V163 PolarHBondContact O-N 3.4Å; W160-V163 PolarHBondContact O-N 3.41Å; V163-C166 PolarHBondContact O-N 2.93Å; V163-L167 HydrophobicContact CG1-CD1 3.5Å; V163-L167 VanDerWaalsContact CG1-CD1 3.5Å; V163-L167 HydrophobicContact CG1-CG 4.07Å; V163-L167 VanDerWaalsContact O-CB 3.27Å; V163-L167 WeakPolarHBondContact O-CB 3.18Å; V163-L167 VanDerWaalsContact O-CG 3.25Å; V163-L167 WeakPolarHBondContact O-CG 3.39Å; V163-L167 PolarHBondContact O-N 2.97Å |
| 164 | A | 96.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 21% | 0.207 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W117 W160 L161 C166 L167 V168 | W117-A164 HydrophobicContact CH2-CB 3.87Å; W117-A164 HydrophobicContact CZ3-CB 3.66Å; W160-A164 VanDerWaalsContact O-CB 3.29Å; W160-A164 WeakPolarHBondContact O-CB 3.35Å; W160-A164 PolarHBondContact O-N 3.02Å; L161-A164 PolarHBondContact O-N 2.82Å; A164-C166 PolarHBondContact O-N 3.31Å; A164-L167 PolarHBondContact O-N 3.27Å; A164-L167 VanDerWaalsContact O-N 3.14Å; A164-V168 VanDerWaalsContact O-CB 3.32Å; A164-V168 WeakPolarHBondContact O-CB 3.44Å; A164-V168 WeakPolarHBondContact O-CG2 3.33Å; A164-V168 PolarHBondContact O-N 2.79Å |
| 165 | G | 96.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 45 Ų | 45 | 56% | 0.557 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.7 | -36.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L161 V162 P169 | L161-G165 PolarHBondContact O-N 3.05Å; V162-G165 PolarHBondContact O-N 3.43Å; G165-P169 WeakPolarHBondContact O-CD 3.35Å |
| 166 | C | 95.8 | Very high | 94.2 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 14% | 0.142 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -81.1 | -27 | 178.2 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | V162 V163 A164 F200 V204 L208 | V162-C166 WeakPolarHBondContact O-CB 3.29Å; V162-C166 PolarHBondContact O-N 2.92Å; V162-C166 VanDerWaalsContact O-N 3.08Å; V162-C166 PolarHBondContact O-SG 3.44Å; V163-C166 PolarHBondContact O-N 2.93Å; A164-C166 PolarHBondContact O-N 3.31Å; C166-F200 WeakPolarHBondContact O-CZ 3.13Å; C166-V204 HydrophobicContact CB-CG1 4.2Å; C166-V204 HydrophobicContact CB-CG2 4.34Å; C166-L208 HydrophobicContact CB-CD1 3.73Å; C166-L208 HydrophobicContact CB-CG 4.38Å |
| 167 | L | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -103.3 | -28.5 | -172.8 | -65 | -172.2 | 0 | 0 | 0 | 115 | F113 Y116 W117 Y120 V163 A164 P169 N170 V204 | F113-L167 HydrophobicContact CD2-CB 4.12Å; F113-L167 HydrophobicContact CE2-CB 3.83Å; Y116-L167 VanDerWaalsContact C-CD1 3.47Å; W117-L167 HydrophobicContact CB-CD1 4.3Å; W117-L167 HydrophobicContact CE3-CD1 4.44Å; Y120-L167 HydrophobicContact CD2-CD1 4.07Å; Y120-L167 HydrophobicContact CD2-CD2 3.74Å; Y120-L167 HydrophobicContact CD2-CG 4.3Å; Y120-L167 HydrophobicContact CE2-CD2 3.74Å; V163-L167 HydrophobicContact CG1-CD1 3.5Å; V163-L167 VanDerWaalsContact CG1-CD1 3.5Å; V163-L167 HydrophobicContact CG1-CG 4.07Å; V163-L167 VanDerWaalsContact O-CB 3.27Å; V163-L167 WeakPolarHBondContact O-CB 3.18Å; V163-L167 VanDerWaalsContact O-CG 3.25Å; V163-L167 WeakPolarHBondContact O-CG 3.39Å; V163-L167 PolarHBondContact O-N 2.97Å; A164-L167 PolarHBondContact O-N 3.27Å; A164-L167 VanDerWaalsContact O-N 3.14Å; L167-P169 VanDerWaalsContact C-CD 3.4Å; L167-P169 VanDerWaalsContact C-N 3.26Å; L167-N170 VanDerWaalsContact O-CB 3.23Å; L167-N170 WeakPolarHBondContact O-CB 3.17Å; L167-N170 PolarHBondContact O-N 2.68Å; L167-N170 PolarHBondContact O-ND2 2.78Å; L167-V204 HydrophobicContact CD2-CG1 4.2Å |
| 168 | V | 93.8 | Very high | 93.6 | Very high | 64 Ų | 64 | 46.6 Ų | 46.6 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -39.2 | 176.8 | 166.7 | 0 | 0 | 0 | 0 | 112 | F113 A164 N170 L171 | F113-V168 HydrophobicContact CE2-CG2 4.25Å; A164-V168 VanDerWaalsContact O-CB 3.32Å; A164-V168 WeakPolarHBondContact O-CB 3.44Å; A164-V168 WeakPolarHBondContact O-CG2 3.33Å; A164-V168 PolarHBondContact O-N 2.79Å; V168-N170 PolarHBondContact O-N 3.5Å; V168-N170 VanDerWaalsContact O-N 3.15Å; V168-L171 VanDerWaalsContact O-CB 3.27Å; V168-L171 WeakPolarHBondContact O-CB 3.43Å; V168-L171 WeakPolarHBondContact O-CG 3.38Å; V168-L171 PolarHBondContact O-N 3.23Å |
| 169 | P | 90.3 | Very high | 93 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 25% | 0.253 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.9 | 175.8 | -23.9 | 34.1 | 0 | 0 | 0 | 114.2 | G165 L167 L171 F172 F173 F200 | G165-P169 WeakPolarHBondContact O-CD 3.35Å; L167-P169 VanDerWaalsContact C-CD 3.4Å; L167-P169 VanDerWaalsContact C-N 3.26Å; P169-L171 PolarHBondContact O-N 3.24Å; P169-F172 WeakPolarHBondContact O-CD2 3.33Å; P169-F172 PolarHBondContact O-N 3.08Å; P169-F172 VanDerWaalsContact O-N 3.16Å; P169-F173 WeakPolarHBondContact O-CD2 3.34Å; P169-F200 HydrophobicContact CB-CE1 4.25Å; P169-F200 HydrophobicContact CB-CE2 4.17Å; P169-F200 HydrophobicContact CB-CZ 3.65Å; P169-F200 HydrophobicContact CG-CE2 4.42Å; P169-F200 HydrophobicContact CG-CZ 4.05Å |
| 170 | N | 87.1 | Confident | 92.5 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -24.3 | 174.4 | -71.6 | -57.4 | 0 | 0 | 0 | 112.7 | L167 V168 F172 F173 V174 Y197 F200 | L167-N170 VanDerWaalsContact O-CB 3.23Å; L167-N170 WeakPolarHBondContact O-CB 3.17Å; L167-N170 PolarHBondContact O-N 2.68Å; L167-N170 PolarHBondContact O-ND2 2.78Å; V168-N170 PolarHBondContact O-N 3.5Å; V168-N170 VanDerWaalsContact O-N 3.15Å; N170-F172 PolarHBondContact O-N 2.92Å; N170-F173 PolarHBondContact O-N 2.98Å; N170-V174 WeakPolarHBondContact O-CG2 3.27Å; N170-V174 PolarHBondContact O-N 3.49Å; N170-Y197 WeakPolarHBondContact OD1-CE2 3.35Å; N170-F200 WeakPolarHBondContact OD1-CE1 3.44Å |
| 171 | L | 89.6 | Confident | 92 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66 | -19.1 | 178.9 | -58.7 | 178.7 | 0 | 0 | 0 | 113 | K109 F113 V168 P169 | K109-L171 HydrophobicContact CB-CD2 4.07Å; K109-L171 WeakPolarHBondContact CD-O 3.27Å; K109-L171 WeakPolarHBondContact CE-O 3.47Å; K109-L171 PolarHBondContact NZ-O 3.36Å; F113-L171 HydrophobicContact CB-CD2 3.81Å; F113-L171 HydrophobicContact CD2-CD2 4.11Å; F113-L171 HydrophobicContact CD2-CG 4.42Å; F113-L171 HydrophobicContact CG-CD2 4.23Å; V168-L171 VanDerWaalsContact O-CB 3.27Å; V168-L171 WeakPolarHBondContact O-CB 3.43Å; V168-L171 WeakPolarHBondContact O-CG 3.38Å; V168-L171 PolarHBondContact O-N 3.23Å; P169-L171 PolarHBondContact O-N 3.24Å |
| 172 | F | 88 | Confident | 91.7 | Very high | 175 Ų | 175 | 57.7 Ų | 57.7 | 77% | 0.768 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -79.1 | -30.7 | 172.7 | -62.5 | -73 | 0 | 0 | 0 | 112.2 | P169 N170 | P169-F172 WeakPolarHBondContact O-CD2 3.33Å; P169-F172 PolarHBondContact O-N 3.08Å; P169-F172 VanDerWaalsContact O-N 3.16Å; N170-F172 PolarHBondContact O-N 2.92Å |
| 173 | F | 86.3 | Confident | 91.5 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -86.4 | -40 | -179.4 | -65.1 | -78.3 | 0 | 0 | 0 | 112.7 | P169 N170 T175 Y197 F200 | P169-F173 WeakPolarHBondContact O-CD2 3.34Å; N170-F173 PolarHBondContact O-N 2.98Å; F173-T175 PolarHBondContact O-N 3.29Å; F173-Y197 HydrophobicContact CB-CD2 3.74Å; F173-Y197 HydrophobicContact CB-CE2 4.12Å; F173-Y197 AromaticContact CD1-CD2 3.94Å; F173-Y197 HydrophobicContact CD1-CD2 3.94Å; F173-Y197 HydrophobicContact CD1-CG 4.46Å; F173-Y197 AromaticContact CD2-CD2 3.93Å; F173-Y197 HydrophobicContact CD2-CD2 3.93Å; F173-Y197 HydrophobicContact CD2-CE2 4.48Å; F173-Y197 AromaticContact CG-CD2 3.6Å; F173-Y197 HydrophobicContact CG-CD2 3.6Å; F173-Y197 HydrophobicContact CG-CE2 4.33Å; F173-F200 HydrophobicContact CE2-CD1 4.19Å |
| 174 | V | 89.8 | Confident | 91.3 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | trans | -68.3 | 130.3 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | K109 R112 N170 T188 | K109-V174 HydrophobicContact CB-CG1 4.45Å; K109-V174 WeakPolarHBondContact CE-O 3.23Å; K109-V174 HydrophobicContact CG-CB 4.14Å; K109-V174 HydrophobicContact CG-CG1 3.96Å; K109-V174 WeakPolarHBondContact CG-O 3.36Å; R112-V174 HydrophobicContact CB-CG1 4.01Å; R112-V174 HydrophobicContact CB-CG2 4.19Å; R112-V174 HydrophobicContact CG-CG1 3.72Å; N170-V174 WeakPolarHBondContact O-CG2 3.27Å; N170-V174 PolarHBondContact O-N 3.49Å; V174-T188 WeakPolarHBondContact CA-O 3.27Å; V174-T188 VanDerWaalsContact CG2-O 3.28Å; V174-T188 WeakPolarHBondContact CG2-O 3.25Å; V174-T188 PolarHBondContact N-O 3.1Å | ||
| 175 | T | 91.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | trans | -156.9 | 174.7 | -176.4 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | F173 H186 R190 | F173-T175 PolarHBondContact O-N 3.29Å; T175-H186 WeakPolarHBondContact O-CB 3.24Å; T175-H186 PolarHBondContact O-CD2 2.96Å; T175-H186 VanDerWaalsContact O-CD2 3.31Å; T175-H186 PolarHBondContact O-N 3.4Å; T175-H186 VanDerWaalsContact O-N 3.12Å; T175-R190 HydrophobicContact CG2-CG 3.24Å; T175-R190 PolarHBondContact OG1-NH2 2.87Å; T175-R190 VanDerWaalsContact OG1-NH2 3.11Å | ||
| 176 | T | 92.8 | Very high | 90.8 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 152.5 | 171.6 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | T105 C108 V183 L184 C185 | T105-T176 HydrophobicContact CG2-CG2 4.36Å; T105-T176 PolarHBondContact OG1-OG1 3.45Å; T105-T176 VanDerWaalsContact OG1-OG1 3.05Å; C108-T176 HydrophobicContact CB-CG2 3.91Å; T176-V183 HydrophobicContact CG2-CG1 4.32Å; T176-L184 CarbonylContact C-O 3.6Å; T176-L184 WeakPolarHBondContact CA-O 3.37Å; T176-L184 WeakPolarHBondContact CB-O 3.22Å; T176-C185 HydrophobicContact CG2-CB 4.46Å |
| 177 | S | 91.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 56.3 Ų | 56.3 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.7 | 170.1 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | V183 L184 H186 | S177-V183 CarbonylContact O-C 3.57Å; S177-V183 WeakPolarHBondContact O-CA 3.24Å; S177-L184 PolarHBondContact N-O 3.49Å; S177-L184 PolarHBondContact O-N 3.34Å; S177-H186 VanDerWaalsContact CB-NE2 3.31Å; S177-H186 WeakPolarHBondContact CB-NE2 3.34Å; S177-H186 PolarHBondContact OG-NE2 3.21Å |
| 178 | T | 91.3 | Very high | 89.5 | Confident | 111 Ų | 111 | 57 Ų | 57 | 68% | 0.681 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.7 | 178.3 | -53.9 | 0 | 0 | 0 | 0 | 109 | G180 T182 | T178-G180 WeakPolarHBondContact CG2-O 3.32Å; T178-T182 WeakPolarHBondContact CA-O 3.47Å |
| 179 | R | 86.1 | Confident | 89.1 | Confident | 173 Ų | 173 | 54.2 Ų | 54.2 | 65% | 0.653 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 100.5 | 173.6 | -170.4 | 176 | -179.7 | 175.7 | 0.8 | 108.5 | N181 T182 L184 | R179-N181 PolarHBondContact O-N 3.49Å; R179-T182 PolarHBondContact N-O 3.22Å; R179-T182 PolarHBondContact O-N 3.42Å; R179-T182 PolarHBondContact O-OG1 2.9Å; R179-L184 HydrophobicContact CB-CD1 3.87Å |
| 180 | G | 87.3 | Confident | 88.6 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | -125.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T178 T182 | T178-G180 WeakPolarHBondContact CG2-O 3.32Å; G180-T182 VanDerWaalsContact C-N 3.28Å; G180-T182 PolarHBondContact O-N 2.95Å |
| 181 | N | 88.8 | Confident | 88.2 | Confident | 162 Ų | 162 | 60.1 Ų | 60.1 | 87% | 0.866 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.7 | 177.9 | -69 | -4.7 | 0 | 0 | 0 | 113.7 | R179 | R179-N181 PolarHBondContact O-N 3.49Š|
| 182 | T | 90.8 | Very high | 87.6 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 33% | 0.331 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.2 | -178.1 | 62 | 0 | 0 | 0 | 0 | 111.9 | T178 R179 G180 | T178-T182 WeakPolarHBondContact CA-O 3.47Å; R179-T182 PolarHBondContact N-O 3.22Å; R179-T182 PolarHBondContact O-N 3.42Å; R179-T182 PolarHBondContact O-OG1 2.9Å; G180-T182 VanDerWaalsContact C-N 3.28Å; G180-T182 PolarHBondContact O-N 2.95Å |
| 183 | V | 93.9 | Very high | 87.3 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.7 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | N99 W101 T176 S177 | N99-V183 VanDerWaalsContact O-O 3.13Å; W101-V183 WeakPolarHBondContact CB-O 3.2Å; W101-V183 PolarHBondContact N-O 2.82Å; W101-V183 WeakPolarHBondContact O-CB 3.38Å; T176-V183 HydrophobicContact CG2-CG1 4.32Å; S177-V183 CarbonylContact O-C 3.57Å; S177-V183 WeakPolarHBondContact O-CA 3.24Å |
| 184 | L | 92.8 | Very high | 87.3 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.9 | -180 | -67.1 | 160.7 | 0 | 0 | 0 | 109.4 | N99 T176 S177 R179 | N99-L184 HydrophobicContact CB-CD2 3.73Å; T176-L184 CarbonylContact C-O 3.6Å; T176-L184 WeakPolarHBondContact CA-O 3.37Å; T176-L184 WeakPolarHBondContact CB-O 3.22Å; S177-L184 PolarHBondContact N-O 3.49Å; S177-L184 PolarHBondContact O-N 3.34Å; R179-L184 HydrophobicContact CB-CD1 3.87Å |
| 185 | C | 94.1 | Very high | 87 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 107.4 | 168.8 | 169.2 | 0 | 0 | 0 | 0 | 108.6 | Y94 W101 C108 R112 T176 | Y94-C185 HydrophobicContact CE2-CB 4.15Å; Y94-C185 PolarHBondContact OH-O 2.92Å; W101-C185 HydrophobicContact CB-CB 3.86Å; W101-C185 HydrophobicContact CD2-CB 3.66Å; W101-C185 HydrophobicContact CE3-CB 3.9Å; W101-C185 HydrophobicContact CG-CB 3.62Å; C108-C185 HydrophobicContact CB-CB 3.9Å; C108-C185 WeakPolarHBondContact CB-SG 3.3Å; C108-C185 VanDerWaalsContact SG-CA 3.53Å; C108-C185 WeakPolarHBondContact SG-CB 3.23Å; C108-C185 CovalentContact SG-SG 2.03Å; C108-C185 PolarHBondContact SG-SG 3.28Å; R112-C185 PolarHBondContact NE-SG 2.87Å; R112-C185 VanDerWaalsContact NE-SG 3.36Å; R112-C185 PolarHBondContact NH2-O 2.88Å; T176-C185 HydrophobicContact CG2-CB 4.46Å |
| 186 | H | 89.5 | Confident | 86.7 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | trans | -64.2 | 139.6 | -177.1 | -69.8 | -86.4 | 0 | 0 | 0 | 111.2 | R112 T175 S177 T188 | R112-H186 PolarHBondContact NE-O 3.27Å; T175-H186 WeakPolarHBondContact O-CB 3.24Å; T175-H186 PolarHBondContact O-CD2 2.96Å; T175-H186 VanDerWaalsContact O-CD2 3.31Å; T175-H186 PolarHBondContact O-N 3.4Å; T175-H186 VanDerWaalsContact O-N 3.12Å; S177-H186 VanDerWaalsContact CB-NE2 3.31Å; S177-H186 WeakPolarHBondContact CB-NE2 3.34Å; S177-H186 PolarHBondContact OG-NE2 3.21Å; H186-T188 VanDerWaalsContact C-N 3.32Å | ||
| 187 | D | 81.9 | Confident | 86.4 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -67.6 | -34.6 | 175.7 | -75 | -5.4 | 0 | 0 | 0 | 111.7 | Y95 R112 R292 | Y95-D187 PolarHBondContact OH-OD1 3.03Å; R112-D187 IonicContact CZ-OD1 3.69Å; R112-D187 IonicContact NH1-OD1 2.81Å; R112-D187 PolarHBondContact NH1-OD1 3.08Å; R112-D187 IonicContact NH2-OD1 3.79Å; R112-D187 PolarHBondContact NH2-OD1 2.62Å; D187-R292 IonicContact OD1-NH1 2.93Å; D187-R292 IonicContact OD1-NH2 2.63Å; D187-R292 IonicContact OD2-CZ 3.86Å; D187-R292 IonicContact OD2-NE 2.87Å; D187-R292 IonicContact OD2-NH1 3.9Å; D187-R292 PolarHBondContact OD2-NH1 2.9Å; D187-R292 VanDerWaalsContact OD2-NH1 3.14Å; D187-R292 IonicContact OD2-NH2 2.57Å |
| 188 | T | 82.8 | Confident | 86.4 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.104 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -129.3 | -79.8 | -171.3 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | V174 H186 Y197 Y269 | V174-T188 WeakPolarHBondContact CA-O 3.27Å; V174-T188 VanDerWaalsContact CG2-O 3.28Å; V174-T188 WeakPolarHBondContact CG2-O 3.25Å; V174-T188 PolarHBondContact N-O 3.1Å; H186-T188 VanDerWaalsContact C-N 3.32Å; T188-Y197 HydrophobicContact CG2-CE1 3.86Å; T188-Y269 WeakPolarHBondContact CG2-OH 3.42Å |
| 189 | T | 84.6 | Confident | 86.3 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | trans | -146.6 | 172.8 | -179.2 | -170.8 | 0 | 0 | 0 | 0 | 109.8 | E193 F194 Y197 | T189-E193 WeakPolarHBondContact OG1-CB 3.25Å; T189-F194 HydrophobicContact CG2-CB 4.4Å; T189-F194 HydrophobicContact CG2-CD2 4.22Å; T189-Y197 HydrophobicContact CG2-CD1 3.76Å; T189-Y197 HydrophobicContact CG2-CD2 4.35Å; T189-Y197 HydrophobicContact CG2-CG 3.64Å | ||
| 190 | R | 79 | Confident | 86.5 | Confident | 109 Ų | 109 | 61.4 Ų | 61.4 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | trans | -69.4 | 153.9 | 169.5 | -54 | -172.4 | 175.1 | 155.1 | 4.8 | 110.6 | T175 E192 E193 | T175-R190 HydrophobicContact CG2-CG 3.24Å; T175-R190 PolarHBondContact OG1-NH2 2.87Å; T175-R190 VanDerWaalsContact OG1-NH2 3.11Å; R190-E192 WeakPolarHBondContact CB-OE2 3.43Å; R190-E192 PolarHBondContact O-N 3.39Å; R190-E192 VanDerWaalsContact O-N 3.13Å; R190-E193 PolarHBondContact O-N 3.31Å | ||
| 191 | P | 78.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -52.2 | -35.3 | -178.7 | -29.5 | 37.9 | 0 | 0 | 0 | 114.7 | F194 R272 | P191-F194 WeakPolarHBondContact O-CB 3.42Å; P191-R272 VanDerWaalsContact CA-NH2 3.33Å; P191-R272 PolarHBondContact O-NH2 2.89Å |
| 192 | E | 78.3 | Confident | 86.9 | Confident | 142 Ų | 142 | 53.1 Ų | 53.1 | 66% | 0.664 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -74.2 | -26.9 | -172.9 | -52.6 | 73.6 | -151.9 | 0 | 0 | 112.9 | R190 | R190-E192 WeakPolarHBondContact CB-OE2 3.43Å; R190-E192 PolarHBondContact O-N 3.39Å; R190-E192 VanDerWaalsContact O-N 3.13Å |
| 193 | E | 81.8 | Confident | 87 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -98.5 | 10.5 | -177.1 | -65.2 | -65.7 | 161.5 | 0 | 0 | 112.4 | T189 R190 D195 Y197 | T189-E193 WeakPolarHBondContact OG1-CB 3.25Å; R190-E193 PolarHBondContact O-N 3.31Å; E193-D195 PolarHBondContact O-N 3.19Å; E193-Y197 VanDerWaalsContact O-CB 3.3Å; E193-Y197 WeakPolarHBondContact O-CB 3.49Å; E193-Y197 PolarHBondContact O-N 3.38Å; E193-Y197 VanDerWaalsContact O-N 3.16Å |
| 194 | F | 85.1 | Confident | 87.1 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | -169.7 | -175.8 | -104 | 0 | 0 | 0 | 113.3 | T189 P191 Y197 V198 Y269 R272 L273 | T189-F194 HydrophobicContact CG2-CB 4.4Å; T189-F194 HydrophobicContact CG2-CD2 4.22Å; P191-F194 WeakPolarHBondContact O-CB 3.42Å; F194-Y197 PolarHBondContact O-N 2.89Å; F194-V198 HydrophobicContact CE1-CB 4.29Å; F194-V198 HydrophobicContact CZ-CB 4.32Å; F194-V198 HydrophobicContact CZ-CG2 4.46Å; F194-V198 WeakPolarHBondContact O-CB 3.32Å; F194-V198 WeakPolarHBondContact O-CG1 3.22Å; F194-V198 PolarHBondContact O-N 3Å; F194-Y269 AromaticContact CE2-CD1 3.92Å; F194-Y269 HydrophobicContact CE2-CD1 3.92Å; F194-Y269 HydrophobicContact CE2-CE1 4.05Å; F194-Y269 AromaticContact CZ-CD1 3.7Å; F194-Y269 HydrophobicContact CZ-CD1 3.7Å; F194-Y269 HydrophobicContact CZ-CE1 4.31Å; F194-Y269 HydrophobicContact CZ-CG 4.08Å; F194-R272 HydrophobicContact CD1-CG 4.02Å; F194-R272 HydrophobicContact CE1-CB 3.75Å; F194-R272 HydrophobicContact CE1-CG 3.66Å; F194-R272 HydrophobicContact CZ-CB 4.08Å; F194-R272 HydrophobicContact CZ-CG 4.19Å; F194-L273 HydrophobicContact CE1-CG 4.47Å |
| 195 | D | 84.9 | Confident | 87.2 | Confident | 97 Ų | 97 | 52 Ų | 52 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | -175.1 | -65 | -14.2 | 0 | 0 | 0 | 112.3 | E193 V198 H199 | E193-D195 PolarHBondContact O-N 3.19Å; D195-V198 VanDerWaalsContact O-CG1 3.22Å; D195-V198 WeakPolarHBondContact O-CG1 3.48Å; D195-H199 PolarHBondContact O-CD2 2.76Å |
| 196 | H | 83.9 | Confident | 87.2 | Confident | 134 Ų | 134 | 53.6 Ų | 53.6 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.7 | -41.5 | 172.8 | -64.6 | -49.1 | 0 | 0 | 0 | 111.5 | V198 | H196-V198 PolarHBondContact O-N 3.02Å |
| 197 | Y | 87.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | -179.5 | 175 | -99.2 | 0 | 0 | 0 | 112.9 | N170 F173 T188 T189 E193 F194 H199 F200 S201 Y269 | N170-Y197 WeakPolarHBondContact OD1-CE2 3.35Å; F173-Y197 HydrophobicContact CB-CD2 3.74Å; F173-Y197 HydrophobicContact CB-CE2 4.12Å; F173-Y197 AromaticContact CD1-CD2 3.94Å; F173-Y197 HydrophobicContact CD1-CD2 3.94Å; F173-Y197 HydrophobicContact CD1-CG 4.46Å; F173-Y197 AromaticContact CD2-CD2 3.93Å; F173-Y197 HydrophobicContact CD2-CD2 3.93Å; F173-Y197 HydrophobicContact CD2-CE2 4.48Å; F173-Y197 AromaticContact CG-CD2 3.6Å; F173-Y197 HydrophobicContact CG-CD2 3.6Å; F173-Y197 HydrophobicContact CG-CE2 4.33Å; T188-Y197 HydrophobicContact CG2-CE1 3.86Å; T189-Y197 HydrophobicContact CG2-CD1 3.76Å; T189-Y197 HydrophobicContact CG2-CD2 4.35Å; T189-Y197 HydrophobicContact CG2-CG 3.64Å; E193-Y197 VanDerWaalsContact O-CB 3.3Å; E193-Y197 WeakPolarHBondContact O-CB 3.49Å; E193-Y197 PolarHBondContact O-N 3.38Å; E193-Y197 VanDerWaalsContact O-N 3.16Å; F194-Y197 PolarHBondContact O-N 2.89Å; Y197-H199 PolarHBondContact O-N 3.5Å; Y197-F200 PolarHBondContact O-N 2.99Å; Y197-S201 VanDerWaalsContact O-CB 3.26Å; Y197-S201 WeakPolarHBondContact O-CB 3.38Å; Y197-S201 PolarHBondContact O-N 3.16Å; Y197-Y269 HydrophobicContact CE1-CE2 4.41Å; Y197-Y269 WeakPolarHBondContact CE1-OH 3.31Å |
| 198 | V | 90.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.3 | -38.3 | -174.8 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | F194 D195 H196 S202 Y269 L273 | F194-V198 HydrophobicContact CE1-CB 4.29Å; F194-V198 HydrophobicContact CZ-CB 4.32Å; F194-V198 HydrophobicContact CZ-CG2 4.46Å; F194-V198 WeakPolarHBondContact O-CB 3.32Å; F194-V198 WeakPolarHBondContact O-CG1 3.22Å; F194-V198 PolarHBondContact O-N 3Å; D195-V198 VanDerWaalsContact O-CG1 3.22Å; D195-V198 WeakPolarHBondContact O-CG1 3.48Å; H196-V198 PolarHBondContact O-N 3.02Å; V198-S202 WeakPolarHBondContact O-CB 3.46Å; V198-S202 PolarHBondContact O-N 2.93Å; V198-S202 PolarHBondContact O-OG 2.94Å; V198-Y269 HydrophobicContact CG2-CD2 3.69Å; V198-Y269 HydrophobicContact CG2-CG 3.9Å; V198-L273 HydrophobicContact CB-CD1 4.44Å; V198-L273 HydrophobicContact CG1-CD1 3.79Å; V198-L273 HydrophobicContact CG1-CD2 3.81Å; V198-L273 HydrophobicContact CG1-CG 4.01Å; V198-L273 HydrophobicContact CG2-CD1 3.76Å; V198-L273 HydrophobicContact CG2-CG 4.35Å |
| 199 | H | 90 | Very high | 88.8 | Confident | 132 Ų | 132 | 55.3 Ų | 55.3 | 61% | 0.611 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63 | -48.9 | 175 | -67.8 | -57.4 | 0 | 0 | 0 | 111.3 | D195 Y197 S202 A203 | D195-H199 PolarHBondContact O-CD2 2.76Å; Y197-H199 PolarHBondContact O-N 3.5Å; H199-S202 PolarHBondContact O-N 2.72Å; H199-A203 PolarHBondContact O-N 3.38Å |
| 200 | F | 91.1 | Very high | 89.3 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 25% | 0.254 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -51.2 | 176.1 | 171.1 | -104.3 | 0 | 0 | 0 | 111.8 | C166 P169 N170 F173 Y197 S202 A203 V204 | C166-F200 WeakPolarHBondContact O-CZ 3.13Å; P169-F200 HydrophobicContact CB-CE1 4.25Å; P169-F200 HydrophobicContact CB-CE2 4.17Å; P169-F200 HydrophobicContact CB-CZ 3.65Å; P169-F200 HydrophobicContact CG-CE2 4.42Å; P169-F200 HydrophobicContact CG-CZ 4.05Å; N170-F200 WeakPolarHBondContact OD1-CE1 3.44Å; F173-F200 HydrophobicContact CE2-CD1 4.19Å; Y197-F200 PolarHBondContact O-N 2.99Å; F200-S202 VanDerWaalsContact C-N 3.26Å; F200-S202 PolarHBondContact O-N 3.28Å; F200-A203 PolarHBondContact O-N 3.49Å; F200-V204 HydrophobicContact CD2-CG2 4.33Å; F200-V204 HydrophobicContact CE1-CG2 4.06Å; F200-V204 HydrophobicContact CE2-CG2 3.83Å; F200-V204 HydrophobicContact CZ-CG2 3.67Å; F200-V204 WeakPolarHBondContact O-CG2 3.23Å; F200-V204 PolarHBondContact O-N 2.94Å |
| 201 | S | 91.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -32 | -179.3 | -178 | 0 | 0 | 0 | 0 | 112.3 | Y197 M205 | Y197-S201 VanDerWaalsContact O-CB 3.26Å; Y197-S201 WeakPolarHBondContact O-CB 3.38Å; Y197-S201 PolarHBondContact O-N 3.16Å; S201-M205 WeakPolarHBondContact O-CB 3.35Å; S201-M205 PolarHBondContact O-N 2.96Å |
| 202 | S | 92.4 | Very high | 90.9 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | V198 H199 F200 M205 G206 | V198-S202 WeakPolarHBondContact O-CB 3.46Å; V198-S202 PolarHBondContact O-N 2.93Å; V198-S202 PolarHBondContact O-OG 2.94Å; H199-S202 PolarHBondContact O-N 2.72Å; F200-S202 VanDerWaalsContact C-N 3.26Å; F200-S202 PolarHBondContact O-N 3.28Å; S202-M205 WeakPolarHBondContact O-CB 3.47Å; S202-M205 PolarHBondContact O-N 3.32Å; S202-G206 PolarHBondContact O-N 3.14Å |
| 203 | A | 93.6 | Very high | 91.7 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H199 F200 M205 G206 L207 | H199-A203 PolarHBondContact O-N 3.38Å; F200-A203 PolarHBondContact O-N 3.49Å; A203-M205 VanDerWaalsContact C-N 3.28Å; A203-M205 PolarHBondContact O-N 3.14Å; A203-G206 PolarHBondContact O-N 3.25Å; A203-L207 WeakPolarHBondContact O-CB 3.24Å; A203-L207 PolarHBondContact O-N 3.18Å |
| 204 | V | 94.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 111 | Y120 C166 L167 F200 L207 L208 | Y120-V204 HydrophobicContact CE2-CG1 4.14Å; C166-V204 HydrophobicContact CB-CG1 4.2Å; C166-V204 HydrophobicContact CB-CG2 4.34Å; L167-V204 HydrophobicContact CD2-CG1 4.2Å; F200-V204 HydrophobicContact CD2-CG2 4.33Å; F200-V204 HydrophobicContact CE1-CG2 4.06Å; F200-V204 HydrophobicContact CE2-CG2 3.83Å; F200-V204 HydrophobicContact CZ-CG2 3.67Å; F200-V204 WeakPolarHBondContact O-CG2 3.23Å; F200-V204 PolarHBondContact O-N 2.94Å; V204-L207 PolarHBondContact O-N 2.9Å; V204-L208 HydrophobicContact CG1-CD1 3.71Å; V204-L208 HydrophobicContact CG1-CG 4.2Å; V204-L208 WeakPolarHBondContact O-CB 3.34Å; V204-L208 PolarHBondContact O-N 3.08Å |
| 205 | M | 94.7 | Very high | 92.8 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 15% | 0.148 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 174.9 | 178.2 | 176 | 78.3 | 0 | 0 | 112.6 | S201 S202 A203 L207 F209 G210 R265 T266 | S201-M205 WeakPolarHBondContact O-CB 3.35Å; S201-M205 PolarHBondContact O-N 2.96Å; S202-M205 WeakPolarHBondContact O-CB 3.47Å; S202-M205 PolarHBondContact O-N 3.32Å; A203-M205 VanDerWaalsContact C-N 3.28Å; A203-M205 PolarHBondContact O-N 3.14Å; M205-L207 VanDerWaalsContact C-N 3.27Å; M205-L207 PolarHBondContact O-N 3.15Å; M205-F209 WeakPolarHBondContact O-CA 3.49Å; M205-F209 WeakPolarHBondContact O-CB 3.28Å; M205-F209 PolarHBondContact O-N 3.43Å; M205-G210 PolarHBondContact O-N 2.84Å; M205-G210 VanDerWaalsContact O-N 3.1Å; M205-R265 VanDerWaalsContact CB-NH2 3.3Å; M205-R265 PolarHBondContact SD-NH2 2.78Å; M205-T266 HydrophobicContact CE-CG2 4.24Å; M205-T266 WeakPolarHBondContact CE-OG1 3.46Å; M205-T266 PolarHBondContact SD-OG1 3.43Å |
| 206 | G | 94.5 | Very high | 93.1 | Very high | 35 Ų | 35 | 45.3 Ų | 45.3 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -57.9 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S202 A203 G210 V211 | S202-G206 PolarHBondContact O-N 3.14Å; A203-G206 PolarHBondContact O-N 3.25Å; G206-G210 CarbonylContact O-C 3.57Å; G206-G210 VanDerWaalsContact O-CA 3.27Å; G206-G210 WeakPolarHBondContact O-CA 3.11Å; G206-G210 PolarHBondContact O-N 3.46Å; G206-G210 VanDerWaalsContact O-N 3.15Å; G206-V211 PolarHBondContact O-N 3.48Å |
| 207 | L | 96.5 | Very high | 93.5 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 49% | 0.492 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -72.5 | -47.7 | -178.7 | -177.5 | 62.1 | 0 | 0 | 0 | 113.5 | A203 V204 M205 P212 | A203-L207 WeakPolarHBondContact O-CB 3.24Å; A203-L207 PolarHBondContact O-N 3.18Å; V204-L207 PolarHBondContact O-N 2.9Å; M205-L207 VanDerWaalsContact C-N 3.27Å; M205-L207 PolarHBondContact O-N 3.15Å; L207-P212 VanDerWaalsContact O-CD 3.25Å; L207-P212 WeakPolarHBondContact O-CD 3.5Å |
| 208 | L | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -94.3 | -13 | -171.2 | -60.3 | -174.3 | 0 | 0 | 0 | 114.2 | Y120 V123 L124 V162 C166 V204 P212 | Y120-L208 HydrophobicContact CD1-CB 3.31Å; Y120-L208 HydrophobicContact CD1-CD1 4.08Å; Y120-L208 HydrophobicContact CD1-CG 4.36Å; Y120-L208 HydrophobicContact CD2-CB 4.4Å; Y120-L208 HydrophobicContact CD2-CD1 3.66Å; Y120-L208 HydrophobicContact CE1-CB 3.67Å; Y120-L208 HydrophobicContact CE2-CD1 4.13Å; Y120-L208 HydrophobicContact CG-CB 3.72Å; Y120-L208 HydrophobicContact CG-CD1 3.61Å; Y120-L208 HydrophobicContact CG-CG 4.34Å; V123-L208 WeakPolarHBondContact CG1-O 3.2Å; L124-L208 HydrophobicContact CD1-CD2 4.24Å; V162-L208 HydrophobicContact CG1-CD2 3.85Å; C166-L208 HydrophobicContact CB-CD1 3.73Å; C166-L208 HydrophobicContact CB-CG 4.38Å; V204-L208 HydrophobicContact CG1-CD1 3.71Å; V204-L208 HydrophobicContact CG1-CG 4.2Å; V204-L208 WeakPolarHBondContact O-CB 3.34Å; V204-L208 PolarHBondContact O-N 3.08Å; L208-P212 WeakPolarHBondContact O-CG 3.26Å |
| 209 | F | 95.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -121.3 | -49.9 | 174.9 | 173.7 | -104.1 | 0 | 0 | 0 | 112.4 | Y120 V123 M205 C213 F254 F258 V259 H262 | Y120-F209 HydrophobicContact CE1-CB 4.26Å; V123-F209 HydrophobicContact CG2-CD2 4.34Å; M205-F209 WeakPolarHBondContact O-CA 3.49Å; M205-F209 WeakPolarHBondContact O-CB 3.28Å; M205-F209 PolarHBondContact O-N 3.43Å; F209-C213 WeakPolarHBondContact O-CB 3.37Å; F209-C213 PolarHBondContact O-N 3.16Å; F209-F254 HydrophobicContact CE2-CD1 4.34Å; F209-F258 HydrophobicContact CD2-CB 4.31Å; F209-F258 HydrophobicContact CE2-CB 3.68Å; F209-V259 HydrophobicContact CZ-CG2 3.95Å; F209-H262 HydrophobicContact CD1-CB 3.76Å; F209-H262 AromaticContact CD1-CD2 3.62Å; F209-H262 AromaticContact CD1-CG 3.54Å; F209-H262 AromaticContact CD2-CE1 3.53Å; F209-H262 AromaticContact CD2-CG 3.89Å; F209-H262 AromaticContact CD2-ND1 3.55Å; F209-H262 AromaticContact CD2-NE2 3.89Å; F209-H262 HydrophobicContact CE1-CB 3.54Å; F209-H262 AromaticContact CE1-CG 3.72Å; F209-H262 AromaticContact CE2-ND1 3.66Å; F209-H262 HydrophobicContact CG-CB 4.33Å; F209-H262 AromaticContact CG-CD2 3.49Å; F209-H262 VanDerWaalsContact CG-CD2 3.49Å; F209-H262 WeakPolarHBondContact CG-CD2 3.43Å; F209-H262 AromaticContact CG-CE1 3.72Å; F209-H262 AromaticContact CG-CG 3.62Å; F209-H262 AromaticContact CG-ND1 3.76Å; F209-H262 AromaticContact CG-NE2 3.59Å; F209-H262 HydrophobicContact CZ-CB 3.97Å; F209-H262 AromaticContact CZ-CG 3.98Å; F209-H262 AromaticContact CZ-ND1 3.97Å |
| 210 | G | 95.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 34% | 0.34 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -59.3 | -55.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | M205 G206 C213 L214 | M205-G210 PolarHBondContact O-N 2.84Å; M205-G210 VanDerWaalsContact O-N 3.1Å; G206-G210 CarbonylContact O-C 3.57Å; G206-G210 VanDerWaalsContact O-CA 3.27Å; G206-G210 WeakPolarHBondContact O-CA 3.11Å; G206-G210 PolarHBondContact O-N 3.46Å; G206-G210 VanDerWaalsContact O-N 3.15Å; G210-C213 PolarHBondContact O-N 2.99Å; G210-L214 PolarHBondContact O-N 2.78Å |
| 211 | V | 96 | Very high | 93.6 | Very high | 79 Ų | 79 | 40 Ų | 40 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 179.5 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | G206 C213 L214 V215 | G206-V211 PolarHBondContact O-N 3.48Å; V211-C213 VanDerWaalsContact C-N 3.34Å; V211-C213 PolarHBondContact O-N 3.42Å; V211-L214 PolarHBondContact O-N 3.18Å; V211-V215 HydrophobicContact CG1-CG2 4.41Å; V211-V215 WeakPolarHBondContact O-CG2 3.06Å; V211-V215 PolarHBondContact O-N 2.96Å |
| 212 | P | 95.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 178.5 | -28.1 | 38.9 | 0 | 0 | 0 | 113.9 | V123 L124 T127 L207 L208 V215 T216 | V123-P212 HydrophobicContact CG1-CB 3.57Å; V123-P212 HydrophobicContact CG1-CG 4.14Å; L124-P212 HydrophobicContact CD2-CB 4.18Å; L124-P212 HydrophobicContact CD2-CG 3.49Å; L124-P212 VanDerWaalsContact CD2-CG 3.49Å; L124-P212 HydrophobicContact CG-CG 4.47Å; T127-P212 HydrophobicContact CG2-CB 4.35Å; T127-P212 WeakPolarHBondContact OG1-CB 3.46Å; T127-P212 PolarHBondContact OG1-O 3.46Å; L207-P212 VanDerWaalsContact O-CD 3.25Å; L207-P212 WeakPolarHBondContact O-CD 3.5Å; L208-P212 WeakPolarHBondContact O-CG 3.26Å; P212-V215 PolarHBondContact O-N 2.85Å; P212-T216 WeakPolarHBondContact O-CB 3.07Å; P212-T216 PolarHBondContact O-N 3.32Å; P212-T216 PolarHBondContact O-OG1 2.88Å |
| 213 | C | 93.6 | Very high | 93.2 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 174 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | F209 G210 V211 V215 T216 L217 F254 | F209-C213 WeakPolarHBondContact O-CB 3.37Å; F209-C213 PolarHBondContact O-N 3.16Å; G210-C213 PolarHBondContact O-N 2.99Å; V211-C213 VanDerWaalsContact C-N 3.34Å; V211-C213 PolarHBondContact O-N 3.42Å; C213-V215 PolarHBondContact O-N 3.48Å; C213-T216 PolarHBondContact O-N 3.05Å; C213-L217 VanDerWaalsContact O-CG 3.32Å; C213-L217 WeakPolarHBondContact O-CG 3.34Å; C213-L217 PolarHBondContact O-N 3.3Å; C213-F254 HydrophobicContact CB-CE1 4.42Å |
| 214 | L | 94.8 | Very high | 92.8 | Very high | 111 Ų | 111 | 38.5 Ų | 38.5 | 58% | 0.581 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58.6 | -47 | 176.3 | 179.8 | 63.4 | 0 | 0 | 0 | 111.9 | G210 V211 T216 L217 V218 | G210-L214 PolarHBondContact O-N 2.78Å; V211-L214 PolarHBondContact O-N 3.18Å; L214-T216 VanDerWaalsContact C-N 3.3Å; L214-T216 PolarHBondContact O-N 3.48Å; L214-L217 PolarHBondContact O-N 2.92Å; L214-V218 HydrophobicContact CD1-CG2 4.22Å; L214-V218 WeakPolarHBondContact O-CG2 3.2Å; L214-V218 PolarHBondContact O-N 2.86Å |
| 215 | V | 95.2 | Very high | 92.4 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 177.3 | 172 | 0 | 0 | 0 | 0 | 110.9 | T127 V131 V211 P212 C213 V218 C219 | T127-V215 HydrophobicContact CG2-CB 4Å; T127-V215 HydrophobicContact CG2-CG1 3.65Å; V131-V215 HydrophobicContact CG2-CG1 3.82Å; V211-V215 HydrophobicContact CG1-CG2 4.41Å; V211-V215 WeakPolarHBondContact O-CG2 3.06Å; V211-V215 PolarHBondContact O-N 2.96Å; P212-V215 PolarHBondContact O-N 2.85Å; C213-V215 PolarHBondContact O-N 3.48Å; V215-V218 PolarHBondContact O-N 3.26Å; V215-C219 WeakPolarHBondContact O-CB 3.46Å; V215-C219 PolarHBondContact O-N 3.37Å; V215-C219 PolarHBondContact O-SG 3.19Å |
| 216 | T | 91.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 179.6 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | T127 P212 C213 L214 C219 Y220 V250 F254 | T127-T216 PolarHBondContact OG1-OG1 2.85Å; P212-T216 WeakPolarHBondContact O-CB 3.07Å; P212-T216 PolarHBondContact O-N 3.32Å; P212-T216 PolarHBondContact O-OG1 2.88Å; C213-T216 PolarHBondContact O-N 3.05Å; L214-T216 VanDerWaalsContact C-N 3.3Å; L214-T216 PolarHBondContact O-N 3.48Å; T216-C219 PolarHBondContact O-N 2.94Å; T216-Y220 HydrophobicContact CG2-CD2 3.95Å; T216-Y220 HydrophobicContact CG2-CE2 3.78Å; T216-Y220 WeakPolarHBondContact O-CB 3.34Å; T216-Y220 PolarHBondContact O-N 3.35Å; T216-V250 HydrophobicContact CG2-CG1 4.28Å; T216-F254 HydrophobicContact CG2-CD2 4.5Å; T216-F254 HydrophobicContact CG2-CE2 4.11Å |
| 217 | L | 91.4 | Very high | 91.1 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.8 | -70.9 | 173.3 | 0 | 0 | 0 | 112 | C213 L214 Y220 G221 L251 | C213-L217 VanDerWaalsContact O-CG 3.32Å; C213-L217 WeakPolarHBondContact O-CG 3.34Å; C213-L217 PolarHBondContact O-N 3.3Å; L214-L217 PolarHBondContact O-N 2.92Å; L217-Y220 PolarHBondContact O-N 3.02Å; L217-G221 PolarHBondContact O-N 2.76Å; L217-L251 HydrophobicContact CD2-CD2 4.08Å |
| 218 | V | 93.5 | Very high | 90.3 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L214 V215 Y220 G221 L222 | L214-V218 HydrophobicContact CD1-CG2 4.22Å; L214-V218 WeakPolarHBondContact O-CG2 3.2Å; L214-V218 PolarHBondContact O-N 2.86Å; V215-V218 PolarHBondContact O-N 3.26Å; V218-Y220 VanDerWaalsContact C-N 3.3Å; V218-Y220 PolarHBondContact O-N 3.33Å; V218-G221 PolarHBondContact O-N 2.71Å; V218-L222 HydrophobicContact CG1-CD1 3.92Å; V218-L222 HydrophobicContact CG1-CG 4.32Å; V218-L222 WeakPolarHBondContact O-CB 3.29Å; V218-L222 VanDerWaalsContact O-CG 3.28Å; V218-L222 WeakPolarHBondContact O-CG 3.45Å; V218-L222 PolarHBondContact O-N 3.45Å |
| 219 | C | 91.3 | Very high | 89.5 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 178.1 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | Y134 V215 T216 M223 | Y134-C219 HydrophobicContact CG-CB 4.41Å; V215-C219 WeakPolarHBondContact O-CB 3.46Å; V215-C219 PolarHBondContact O-N 3.37Å; V215-C219 PolarHBondContact O-SG 3.19Å; T216-C219 PolarHBondContact O-N 2.94Å; C219-M223 WeakPolarHBondContact O-CB 3.34Å; C219-M223 PolarHBondContact O-N 3.24Å |
| 220 | Y | 88.4 | Confident | 87.8 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 2% | 0.024 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.2 | -35.5 | -179.4 | -71.8 | -8.7 | 0 | 0 | 0 | 113.3 | S130 T216 L217 V218 M223 A224 I247 V250 L251 | S130-Y220 PolarHBondContact OG-OH 3.22Å; T216-Y220 HydrophobicContact CG2-CD2 3.95Å; T216-Y220 HydrophobicContact CG2-CE2 3.78Å; T216-Y220 WeakPolarHBondContact O-CB 3.34Å; T216-Y220 PolarHBondContact O-N 3.35Å; L217-Y220 PolarHBondContact O-N 3.02Å; V218-Y220 VanDerWaalsContact C-N 3.3Å; V218-Y220 PolarHBondContact O-N 3.33Å; Y220-M223 HydrophobicContact CD1-CE 3.12Å; Y220-M223 HydrophobicContact CE1-CE 3.34Å; Y220-M223 HydrophobicContact CG-CE 4.25Å; Y220-M223 PolarHBondContact O-N 3.37Å; Y220-A224 WeakPolarHBondContact O-CB 3.05Å; Y220-A224 PolarHBondContact O-N 3.39Å; Y220-I247 HydrophobicContact CD1-CG1 3.8Å; Y220-I247 HydrophobicContact CD2-CB 4.44Å; Y220-I247 HydrophobicContact CD2-CG1 4.46Å; Y220-I247 HydrophobicContact CD2-CG2 3.9Å; Y220-I247 HydrophobicContact CE1-CG1 3.9Å; Y220-I247 HydrophobicContact CE2-CG2 4.38Å; Y220-I247 HydrophobicContact CG-CB 4.46Å; Y220-I247 HydrophobicContact CG-CG1 4.04Å; Y220-I247 HydrophobicContact CG-CG2 3.98Å; Y220-V250 HydrophobicContact CE2-CB 3.76Å; Y220-V250 HydrophobicContact CE2-CG1 3.74Å; Y220-V250 VanDerWaalsContact OH-CB 3.25Å; Y220-V250 WeakPolarHBondContact OH-CB 3.43Å; Y220-V250 WeakPolarHBondContact OH-CG1 3.34Å; Y220-V250 VanDerWaalsContact OH-CG2 3.3Å; Y220-V250 WeakPolarHBondContact OH-CG2 3.45Å; Y220-L251 HydrophobicContact CD2-CD1 4.18Å; Y220-L251 HydrophobicContact CD2-CD2 3.74Å; Y220-L251 HydrophobicContact CD2-CG 3.68Å; Y220-L251 HydrophobicContact CE2-CD2 4.31Å; Y220-L251 HydrophobicContact CE2-CG 4.08Å |
| 221 | G | 88.7 | Confident | 86.2 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | L217 V218 A224 R225 | L217-G221 PolarHBondContact O-N 2.76Å; V218-G221 PolarHBondContact O-N 2.71Å; G221-A224 PolarHBondContact O-N 3.33Å; G221-R225 VanDerWaalsContact O-CG 3.28Å; G221-R225 WeakPolarHBondContact O-CG 3.33Å; G221-R225 PolarHBondContact O-N 3.19Å |
| 222 | L | 89.9 | Confident | 84 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.7 | -66.9 | 176.2 | 0 | 0 | 0 | 112.2 | Y134 V218 R225 R226 | Y134-L222 HydrophobicContact CD2-CB 4.15Å; Y134-L222 HydrophobicContact CE2-CB 3.71Å; Y134-L222 HydrophobicContact CE2-CD1 3.77Å; Y134-L222 HydrophobicContact CE2-CG 4.41Å; V218-L222 HydrophobicContact CG1-CD1 3.92Å; V218-L222 HydrophobicContact CG1-CG 4.32Å; V218-L222 WeakPolarHBondContact O-CB 3.29Å; V218-L222 VanDerWaalsContact O-CG 3.28Å; V218-L222 WeakPolarHBondContact O-CG 3.45Å; V218-L222 PolarHBondContact O-N 3.45Å; L222-R225 PolarHBondContact O-N 2.86Å; L222-R226 WeakPolarHBondContact O-CG 3.33Å; L222-R226 PolarHBondContact O-N 3.47Å; L222-R226 VanDerWaalsContact O-N 3.08Å |
| 223 | M | 86.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.9 | -178.3 | 168.2 | 29.8 | 0 | 0 | 111.4 | R133 I137 C219 Y220 R225 R226 L227 I247 | R133-M223 HydrophobicContact CB-CE 4.46Å; R133-M223 HydrophobicContact CB-SD 4.46Å; I137-M223 HydrophobicContact CD1-CG 3.78Å; I137-M223 HydrophobicContact CD1-SD 3.34Å; I137-M223 WeakPolarHBondContact CD1-SD 3.35Å; I137-M223 HydrophobicContact CG1-SD 4.41Å; C219-M223 WeakPolarHBondContact O-CB 3.34Å; C219-M223 PolarHBondContact O-N 3.24Å; Y220-M223 HydrophobicContact CD1-CE 3.12Å; Y220-M223 HydrophobicContact CE1-CE 3.34Å; Y220-M223 HydrophobicContact CG-CE 4.25Å; Y220-M223 PolarHBondContact O-N 3.37Å; M223-R225 PolarHBondContact O-N 3.43Å; M223-R226 PolarHBondContact O-N 3.37Å; M223-L227 HydrophobicContact CG-CD1 3.95Å; M223-L227 HydrophobicContact CG-CG 4.35Å; M223-L227 WeakPolarHBondContact O-CB 3.32Å; M223-L227 VanDerWaalsContact O-CG 3.27Å; M223-L227 WeakPolarHBondContact O-CG 3.46Å; M223-L227 PolarHBondContact O-N 3.5Å; M223-I247 HydrophobicContact CB-CD1 4.42Å; M223-I247 HydrophobicContact CE-CD1 3.54Å; M223-I247 HydrophobicContact CE-CG1 3.39Å; M223-I247 HydrophobicContact CG-CD1 3.9Å; M223-I247 HydrophobicContact SD-CD1 3.82Å; M223-I247 HydrophobicContact SD-CG1 4.19Å |
| 224 | A | 84.6 | Confident | 80.4 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 21% | 0.207 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.9 | -50 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y220 G221 R226 L227 Y228 | Y220-A224 WeakPolarHBondContact O-CB 3.05Å; Y220-A224 PolarHBondContact O-N 3.39Å; G221-A224 PolarHBondContact O-N 3.33Å; A224-R226 VanDerWaalsContact C-N 3.27Å; A224-R226 PolarHBondContact O-N 2.96Å; A224-L227 CarbonylContact O-C 3.56Å; A224-L227 PolarHBondContact O-N 3.22Å; A224-Y228 HydrophobicContact CB-CD2 4.19Å; A224-Y228 HydrophobicContact CB-CE2 4.19Å; A224-Y228 WeakPolarHBondContact O-CD2 3.28Å; A224-Y228 PolarHBondContact O-N 2.89Å |
| 225 | R | 86.2 | Confident | 78.5 | Confident | 182 Ų | 182 | 75.8 Ų | 75.8 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -53 | -44.1 | 176.4 | -74.9 | 175.2 | -177.3 | -176.6 | 1.7 | 112.4 | G221 L222 M223 Q229 | G221-R225 VanDerWaalsContact O-CG 3.28Å; G221-R225 WeakPolarHBondContact O-CG 3.33Å; G221-R225 PolarHBondContact O-N 3.19Å; L222-R225 PolarHBondContact O-N 2.86Å; M223-R225 PolarHBondContact O-N 3.43Å; R225-Q229 WeakPolarHBondContact O-CG 2.99Å; R225-Q229 PolarHBondContact O-N 3.28Å |
| 226 | R | 82.7 | Confident | 76.9 | Confident | 145 Ų | 145 | 79.6 Ų | 79.6 | 55% | 0.547 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -34.1 | 176.8 | -72.2 | -63.6 | -166.8 | 160.8 | 3.7 | 113.4 | L222 M223 A224 | L222-R226 WeakPolarHBondContact O-CG 3.33Å; L222-R226 PolarHBondContact O-N 3.47Å; L222-R226 VanDerWaalsContact O-N 3.08Å; M223-R226 PolarHBondContact O-N 3.37Å; A224-R226 VanDerWaalsContact C-N 3.27Å; A224-R226 PolarHBondContact O-N 2.96Å |
| 227 | L | 80.4 | Confident | 75.8 | Confident | 22 Ų | 22 | 81.8 Ų | 81.8 | 12% | 0.115 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -77.7 | -26.3 | 178.9 | -68.5 | 179.2 | 0 | 0 | 0 | 113.3 | I137 M223 A224 R240 L244 I247 | I137-L227 HydrophobicContact CD1-CD1 4.47Å; I137-L227 HydrophobicContact CD1-CD2 4.43Å; I137-L227 HydrophobicContact CG2-CD2 4.26Å; M223-L227 HydrophobicContact CG-CD1 3.95Å; M223-L227 HydrophobicContact CG-CG 4.35Å; M223-L227 WeakPolarHBondContact O-CB 3.32Å; M223-L227 VanDerWaalsContact O-CG 3.27Å; M223-L227 WeakPolarHBondContact O-CG 3.46Å; M223-L227 PolarHBondContact O-N 3.5Å; A224-L227 CarbonylContact O-C 3.56Å; A224-L227 PolarHBondContact O-N 3.22Å; L227-R240 HydrophobicContact CB-CG 4.49Å; L227-R240 HydrophobicContact CD2-CB 4.28Å; L227-R240 HydrophobicContact CD2-CG 3.78Å; L227-R240 HydrophobicContact CG-CG 4.47Å; L227-L244 HydrophobicContact CD1-CD2 3.75Å; L227-L244 HydrophobicContact CD1-CG 3.99Å; L227-I247 HydrophobicContact CD1-CD1 4.38Å |
| 228 | Y | 78.7 | Confident | 74.7 | Confident | 181 Ų | 181 | 82.4 Ų | 82.4 | 71% | 0.71 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -85.3 | -13.5 | 176.3 | -78.6 | -70.5 | 0 | 0 | 0 | 113.9 | A224 P230 | A224-Y228 HydrophobicContact CB-CD2 4.19Å; A224-Y228 HydrophobicContact CB-CE2 4.19Å; A224-Y228 WeakPolarHBondContact O-CD2 3.28Å; A224-Y228 PolarHBondContact O-N 2.89Å; Y228-P230 WeakPolarHBondContact O-CD 3.28Å |
| 229 | Q | 79.4 | Confident | 73.6 | Confident | 106 Ų | 106 | 82.3 Ų | 82.3 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -66.1 | 119.9 | 172.7 | -80.8 | 178.8 | -18 | 0 | 0 | 109.9 | R225 L231 | R225-Q229 WeakPolarHBondContact O-CG 2.99Å; R225-Q229 PolarHBondContact O-N 3.28Å; Q229-L231 PolarHBondContact O-N 3.42Å; Q229-L231 VanDerWaalsContact O-N 3.1Å |
| 230 | P | 60 | Low | 72.7 | Confident | 122 Ų | 122 | 84.2 Ų | 84.2 | 79% | 0.792 | 48% | 0.484 | S | S | * | . | trans | -67.3 | 112.4 | 179.8 | 23.9 | -28.7 | 0 | 0 | 0 | 109.2 | Y228 | Y228-P230 WeakPolarHBondContact O-CD 3.28Š| ||
| 231 | L | 62.4 | Low | 72 | Confident | 113 Ų | 113 | 88.7 Ų | 88.7 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | trans | -81.3 | 120.9 | 165.6 | -123.6 | 74.6 | 0 | 0 | 0 | 107.3 | Q229 G233 A234 | Q229-L231 PolarHBondContact O-N 3.42Å; Q229-L231 VanDerWaalsContact O-N 3.1Å; L231-G233 PolarHBondContact O-N 2.9Å; L231-A234 HydrophobicContact CB-CB 4.09Å; L231-A234 PolarHBondContact O-N 2.87Å | ||
| 232 | P | 50.2 | Low | 71.3 | Confident | 130 Ų | 130 | 91 Ų | 91 | 84% | 0.844 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 124.9 | 177.4 | -20.8 | 30.9 | 0 | 0 | 0 | 110.2 | A234 | P232-A234 PolarHBondContact O-N 3.45Š|
| 233 | G | 54.4 | Low | 70.7 | Confident | 90 Ų | 90 | 88.2 Ų | 88.2 | 93% | 0.928 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 1.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | L231 | L231-G233 PolarHBondContact O-N 2.9Š|
| 234 | A | 57.3 | Low | 70.3 | Confident | 48 Ų | 48 | 90.5 Ų | 90.5 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | trans | -95.5 | 108.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L231 P232 | L231-A234 HydrophobicContact CB-CB 4.09Å; L231-A234 PolarHBondContact O-N 2.87Å; P232-A234 PolarHBondContact O-N 3.45Å | ||
| 235 | A | 56.6 | Low | 70.1 | Confident | 91 Ų | 91 | 94.7 Ų | 94.7 | 75% | 0.752 | 51% | 0.514 | S | S | * | . | trans | -51.2 | 150.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S237 | A235-S237 PolarHBondContact O-N 2.03Š| ||
| 236 | Q | 61.1 | Low | 69.6 | Low | 134 Ų | 134 | 86.2 Ų | 86.2 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | trans | -59 | 103.1 | -177.2 | -148.3 | 178 | 28.3 | 0 | 0 | 109.8 | ||||
| 237 | S | 69.1 | Low | 69.5 | Low | 48 Ų | 48 | 80 Ų | 80 | 34% | 0.336 | 46% | 0.46 | S | S | . | . | trans | -65.9 | 143.8 | -175.4 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | A235 S239 R240 L241 | A235-S237 PolarHBondContact O-N 2.03Å; S237-S239 PolarHBondContact O-N 3.36Å; S237-S239 VanDerWaalsContact O-N 3.1Å; S237-S239 PolarHBondContact OG-OG 3.22Å; S237-R240 WeakPolarHBondContact O-CB 3.12Å; S237-R240 PolarHBondContact O-N 2.67Å; S237-R240 WeakPolarHBondContact OG-CB 3.42Å; S237-R240 PolarHBondContact OG-N 2.63Å; S237-L241 PolarHBondContact O-N 2.84Å | ||
| 238 | S | 68.2 | Low | 69.6 | Low | 108 Ų | 108 | 81.5 Ų | 81.5 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.4 | -29.6 | 175.5 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | R242 | S238-R242 WeakPolarHBondContact O-CB 3.28Å; S238-R242 PolarHBondContact O-N 3.38Å; S238-R242 VanDerWaalsContact O-N 3.1Å |
| 239 | S | 69.9 | Low | 69.8 | Low | 72 Ų | 72 | 74 Ų | 74 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 174.2 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | S237 S243 | S237-S239 PolarHBondContact O-N 3.36Å; S237-S239 VanDerWaalsContact O-N 3.1Å; S237-S239 PolarHBondContact OG-OG 3.22Å; S239-S243 PolarHBondContact O-N 2.9Å; S239-S243 VanDerWaalsContact O-N 3.15Å; S239-S243 PolarHBondContact O-OG 2.9Å |
| 240 | R | 73 | Confident | 70 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 19% | 0.185 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.2 | -49.4 | 175.1 | 175.2 | 176.4 | -57.6 | 160.8 | 1.1 | 110.7 | L227 S237 R242 S243 L244 | L227-R240 HydrophobicContact CB-CG 4.49Å; L227-R240 HydrophobicContact CD2-CB 4.28Å; L227-R240 HydrophobicContact CD2-CG 3.78Å; L227-R240 HydrophobicContact CG-CG 4.47Å; S237-R240 WeakPolarHBondContact O-CB 3.12Å; S237-R240 PolarHBondContact O-N 2.67Å; S237-R240 WeakPolarHBondContact OG-CB 3.42Å; S237-R240 PolarHBondContact OG-N 2.63Å; R240-R242 VanDerWaalsContact C-N 3.34Å; R240-R242 PolarHBondContact O-N 2.93Å; R240-S243 WeakPolarHBondContact O-CB 3.43Å; R240-S243 PolarHBondContact O-N 3.4Å; R240-S243 VanDerWaalsContact O-N 3.1Å; R240-L244 HydrophobicContact CG-CD1 4.41Å; R240-L244 PolarHBondContact O-N 3.43Å |
| 241 | L | 73.4 | Confident | 71.3 | Confident | 100 Ų | 100 | 66 Ų | 66 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | -179.9 | -161.3 | 72.8 | 0 | 0 | 0 | 112 | S237 S243 L244 R245 | S237-L241 PolarHBondContact O-N 2.84Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 2.99Å; L241-L244 PolarHBondContact O-N 3.47Å; L241-R245 WeakPolarHBondContact O-CB 3.44Å; L241-R245 PolarHBondContact O-N 3.05Å |
| 242 | R | 74.6 | Confident | 72.4 | Confident | 83 Ų | 83 | 64.3 Ų | 64.3 | 31% | 0.313 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 173.4 | -175.7 | 176.7 | -178.7 | 170.9 | 3.8 | 112.3 | S238 R240 R245 T246 T309 D311 | S238-R242 WeakPolarHBondContact O-CB 3.28Å; S238-R242 PolarHBondContact O-N 3.38Å; S238-R242 VanDerWaalsContact O-N 3.1Å; R240-R242 VanDerWaalsContact C-N 3.34Å; R240-R242 PolarHBondContact O-N 2.93Å; R242-R245 PolarHBondContact O-N 3.2Å; R242-T246 PolarHBondContact O-N 3.4Å; R242-T246 PolarHBondContact O-OG1 3.41Å; R242-T246 VanDerWaalsContact O-OG1 3.05Å; R242-T309 PolarHBondContact NE-O 3.23Å; R242-T309 PolarHBondContact NH2-O 2.04Å; R242-D311 IonicContact CZ-OD2 3.39Å; R242-D311 VanDerWaalsContact CZ-OD2 3.32Å; R242-D311 IonicContact NH1-OD2 3.86Å; R242-D311 PolarHBondContact NH1-OD2 3.35Å; R242-D311 IonicContact NH2-OD2 3.91Å |
| 243 | S | 76 | Confident | 74.2 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | R133 I137 S239 R240 L241 R245 T246 I247 | R133-S243 PolarHBondContact NH2-OG 3.43Å; I137-S243 VanDerWaalsContact CD1-OG 3.23Å; I137-S243 WeakPolarHBondContact CD1-OG 3.4Å; S239-S243 PolarHBondContact O-N 2.9Å; S239-S243 VanDerWaalsContact O-N 3.15Å; S239-S243 PolarHBondContact O-OG 2.9Å; R240-S243 WeakPolarHBondContact O-CB 3.43Å; R240-S243 PolarHBondContact O-N 3.4Å; R240-S243 VanDerWaalsContact O-N 3.1Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 2.99Å; S243-R245 VanDerWaalsContact C-N 3.31Å; S243-R245 PolarHBondContact O-N 3.46Å; S243-T246 PolarHBondContact O-N 3.42Å; S243-I247 VanDerWaalsContact O-CG1 3.29Å; S243-I247 WeakPolarHBondContact O-CG1 3.37Å; S243-I247 PolarHBondContact O-N 2.96Å |
| 244 | L | 77.5 | Confident | 75.9 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 173.9 | -68.8 | 173.7 | 0 | 0 | 0 | 112 | L227 R240 L241 I247 A248 | L227-L244 HydrophobicContact CD1-CD2 3.75Å; L227-L244 HydrophobicContact CD1-CG 3.99Å; R240-L244 HydrophobicContact CG-CD1 4.41Å; R240-L244 PolarHBondContact O-N 3.43Å; L241-L244 PolarHBondContact O-N 3.47Å; L244-I247 HydrophobicContact CD2-CD1 4.29Å; L244-I247 PolarHBondContact O-N 3.35Å; L244-A248 WeakPolarHBondContact O-CB 3.35Å; L244-A248 PolarHBondContact O-N 2.9Å |
| 245 | R | 80.1 | Confident | 77.4 | Confident | 114 Ų | 114 | 54.9 Ų | 54.9 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 174.4 | -177 | 174.1 | 173.6 | 166.4 | -15.8 | 112.1 | L241 R242 S243 A248 V249 L308 | L241-R245 WeakPolarHBondContact O-CB 3.44Å; L241-R245 PolarHBondContact O-N 3.05Å; R242-R245 PolarHBondContact O-N 3.2Å; S243-R245 VanDerWaalsContact C-N 3.31Å; S243-R245 PolarHBondContact O-N 3.46Å; R245-A248 PolarHBondContact O-N 3.44Å; R245-V249 WeakPolarHBondContact O-CG2 3.32Å; R245-V249 PolarHBondContact O-N 2.82Å; R245-L308 HydrophobicContact CG-CB 4.33Å; R245-L308 VanDerWaalsContact NE-CB 3.28Å; R245-L308 PolarHBondContact NE-O 3.3Å |
| 246 | T | 76.9 | Confident | 79 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 174 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | R133 R242 S243 A248 V249 V250 L305 T309 | R133-T246 HydrophobicContact CG-CG2 4.47Å; R242-T246 PolarHBondContact O-N 3.4Å; R242-T246 PolarHBondContact O-OG1 3.41Å; R242-T246 VanDerWaalsContact O-OG1 3.05Å; S243-T246 PolarHBondContact O-N 3.42Å; T246-A248 PolarHBondContact O-N 2.92Å; T246-V249 PolarHBondContact O-N 3.33Å; T246-V250 HydrophobicContact CG2-CG2 4.3Å; T246-V250 WeakPolarHBondContact O-CG2 3.35Å; T246-V250 PolarHBondContact O-N 2.92Å; T246-L305 HydrophobicContact CG2-CD1 4.38Å; T246-T309 HydrophobicContact CG2-CG2 4.02Å; T246-T309 WeakPolarHBondContact OG1-CG2 3.48Å |
| 247 | I | 80.7 | Confident | 80.5 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56 | -52.2 | 177.3 | -68.4 | 161.8 | 0 | 0 | 0 | 110.3 | Y220 M223 L227 S243 L244 V249 V250 L251 | Y220-I247 HydrophobicContact CD1-CG1 3.8Å; Y220-I247 HydrophobicContact CD2-CB 4.44Å; Y220-I247 HydrophobicContact CD2-CG1 4.46Å; Y220-I247 HydrophobicContact CD2-CG2 3.9Å; Y220-I247 HydrophobicContact CE1-CG1 3.9Å; Y220-I247 HydrophobicContact CE2-CG2 4.38Å; Y220-I247 HydrophobicContact CG-CB 4.46Å; Y220-I247 HydrophobicContact CG-CG1 4.04Å; Y220-I247 HydrophobicContact CG-CG2 3.98Å; M223-I247 HydrophobicContact CB-CD1 4.42Å; M223-I247 HydrophobicContact CE-CD1 3.54Å; M223-I247 HydrophobicContact CE-CG1 3.39Å; M223-I247 HydrophobicContact CG-CD1 3.9Å; M223-I247 HydrophobicContact SD-CD1 3.82Å; M223-I247 HydrophobicContact SD-CG1 4.19Å; L227-I247 HydrophobicContact CD1-CD1 4.38Å; S243-I247 VanDerWaalsContact O-CG1 3.29Å; S243-I247 WeakPolarHBondContact O-CG1 3.37Å; S243-I247 PolarHBondContact O-N 2.96Å; L244-I247 HydrophobicContact CD2-CD1 4.29Å; L244-I247 PolarHBondContact O-N 3.35Å; I247-V249 VanDerWaalsContact C-N 3.34Å; I247-V249 PolarHBondContact O-N 2.93Å; I247-V250 PolarHBondContact O-N 3.48Å; I247-L251 HydrophobicContact CG2-CD1 3.66Å; I247-L251 HydrophobicContact CG2-CG 4.26Å; I247-L251 WeakPolarHBondContact O-CB 3.25Å; I247-L251 VanDerWaalsContact O-CG 3.31Å; I247-L251 WeakPolarHBondContact O-CG 3.44Å; I247-L251 PolarHBondContact O-N 3.35Å |
| 248 | A | 81.9 | Confident | 81.6 | Confident | 53 Ų | 53 | 45 Ų | 45 | 44% | 0.438 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.3 | -48.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L244 R245 T246 L251 T252 | L244-A248 WeakPolarHBondContact O-CB 3.35Å; L244-A248 PolarHBondContact O-N 2.9Å; R245-A248 PolarHBondContact O-N 3.44Å; T246-A248 PolarHBondContact O-N 2.92Å; A248-L251 PolarHBondContact O-N 3.18Å; A248-T252 WeakPolarHBondContact O-CB 3.46Å; A248-T252 PolarHBondContact O-N 3.07Å; A248-T252 PolarHBondContact O-OG1 3.42Å |
| 249 | V | 82.9 | Confident | 82.8 | Confident | 22 Ų | 22 | 42 Ų | 42 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | -178 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | R245 T246 I247 L251 T252 V253 L305 L308 | R245-V249 WeakPolarHBondContact O-CG2 3.32Å; R245-V249 PolarHBondContact O-N 2.82Å; T246-V249 PolarHBondContact O-N 3.33Å; I247-V249 VanDerWaalsContact C-N 3.34Å; I247-V249 PolarHBondContact O-N 2.93Å; V249-L251 PolarHBondContact O-N 3.34Å; V249-T252 WeakPolarHBondContact O-CB 3.33Å; V249-T252 PolarHBondContact O-N 3.11Å; V249-V253 WeakPolarHBondContact O-CG2 3.33Å; V249-V253 PolarHBondContact O-N 3.42Å; V249-L305 HydrophobicContact CB-CD1 4.01Å; V249-L305 HydrophobicContact CG1-CB 4.28Å; V249-L305 HydrophobicContact CG1-CD1 3.58Å; V249-L308 HydrophobicContact CB-CD1 4.4Å; V249-L308 HydrophobicContact CG1-CD1 4.34Å; V249-L308 HydrophobicContact CG2-CD1 3.2Å; V249-L308 HydrophobicContact CG2-CG 4.48Å |
| 250 | V | 84.3 | Confident | 84 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | -178.8 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | L126 T216 Y220 T246 I247 T252 V253 F254 L305 | L126-V250 HydrophobicContact CB-CG1 4.32Å; L126-V250 HydrophobicContact CD2-CG2 4.17Å; T216-V250 HydrophobicContact CG2-CG1 4.28Å; Y220-V250 HydrophobicContact CE2-CB 3.76Å; Y220-V250 HydrophobicContact CE2-CG1 3.74Å; Y220-V250 VanDerWaalsContact OH-CB 3.25Å; Y220-V250 WeakPolarHBondContact OH-CB 3.43Å; Y220-V250 WeakPolarHBondContact OH-CG1 3.34Å; Y220-V250 VanDerWaalsContact OH-CG2 3.3Å; Y220-V250 WeakPolarHBondContact OH-CG2 3.45Å; T246-V250 HydrophobicContact CG2-CG2 4.3Å; T246-V250 WeakPolarHBondContact O-CG2 3.35Å; T246-V250 PolarHBondContact O-N 2.92Å; I247-V250 PolarHBondContact O-N 3.48Å; V250-T252 VanDerWaalsContact C-N 3.31Å; V250-T252 PolarHBondContact O-N 3.23Å; V250-V253 PolarHBondContact O-N 2.97Å; V250-F254 HydrophobicContact CG1-CD2 3.81Å; V250-F254 HydrophobicContact CG1-CE2 3.85Å; V250-F254 WeakPolarHBondContact O-CD2 3.39Å; V250-F254 PolarHBondContact O-N 3.25Å; V250-L305 HydrophobicContact CG2-CD1 3.49Å; V250-L305 VanDerWaalsContact CG2-CD1 3.49Å |
| 251 | L | 86.4 | Confident | 85 | Confident | 60 Ų | 60 | 37.8 Ų | 37.8 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -40.1 | 175.3 | -73.1 | 178.4 | 0 | 0 | 0 | 112.2 | L217 Y220 I247 A248 V249 F254 A255 | L217-L251 HydrophobicContact CD2-CD2 4.08Å; Y220-L251 HydrophobicContact CD2-CD1 4.18Å; Y220-L251 HydrophobicContact CD2-CD2 3.74Å; Y220-L251 HydrophobicContact CD2-CG 3.68Å; Y220-L251 HydrophobicContact CE2-CD2 4.31Å; Y220-L251 HydrophobicContact CE2-CG 4.08Å; I247-L251 HydrophobicContact CG2-CD1 3.66Å; I247-L251 HydrophobicContact CG2-CG 4.26Å; I247-L251 WeakPolarHBondContact O-CB 3.25Å; I247-L251 VanDerWaalsContact O-CG 3.31Å; I247-L251 WeakPolarHBondContact O-CG 3.44Å; I247-L251 PolarHBondContact O-N 3.35Å; A248-L251 PolarHBondContact O-N 3.18Å; V249-L251 PolarHBondContact O-N 3.34Å; L251-F254 PolarHBondContact O-N 3.03Å; L251-A255 VanDerWaalsContact O-CB 3.28Å; L251-A255 WeakPolarHBondContact O-CB 3.48Å; L251-A255 PolarHBondContact O-N 2.99Å |
| 252 | T | 86.4 | Confident | 86.1 | Confident | 78 Ų | 78 | 33.1 Ų | 33.1 | 48% | 0.479 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | A248 V249 V250 F254 A255 V256 | A248-T252 WeakPolarHBondContact O-CB 3.46Å; A248-T252 PolarHBondContact O-N 3.07Å; A248-T252 PolarHBondContact O-OG1 3.42Å; V249-T252 WeakPolarHBondContact O-CB 3.33Å; V249-T252 PolarHBondContact O-N 3.11Å; V250-T252 VanDerWaalsContact C-N 3.31Å; V250-T252 PolarHBondContact O-N 3.23Å; T252-F254 PolarHBondContact O-N 3.16Å; T252-A255 PolarHBondContact O-N 2.91Å; T252-V256 HydrophobicContact CG2-CG2 4.09Å; T252-V256 WeakPolarHBondContact O-CB 3.24Å; T252-V256 WeakPolarHBondContact O-CG2 3.32Å; T252-V256 PolarHBondContact O-N 2.84Å |
| 253 | V | 88.1 | Confident | 87 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | L126 V249 V250 A255 C257 F258 L301 | L126-V253 HydrophobicContact CD1-CG1 4.12Å; V249-V253 WeakPolarHBondContact O-CG2 3.33Å; V249-V253 PolarHBondContact O-N 3.42Å; V250-V253 PolarHBondContact O-N 2.97Å; V253-A255 PolarHBondContact O-N 2.95Å; V253-C257 HydrophobicContact CG1-CB 4.39Å; V253-C257 WeakPolarHBondContact O-CA 3.33Å; V253-C257 VanDerWaalsContact O-CB 3.26Å; V253-C257 WeakPolarHBondContact O-CB 3.3Å; V253-C257 PolarHBondContact O-N 3.41Å; V253-F258 HydrophobicContact CG1-CD2 4.37Å; V253-F258 HydrophobicContact CG1-CE2 3.65Å; V253-F258 HydrophobicContact CG1-CZ 3.99Å; V253-L301 HydrophobicContact CG2-CB 3.82Å; V253-L301 HydrophobicContact CG2-CD1 4.2Å |
| 254 | F | 88.6 | Confident | 87.9 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -59.4 | -48.9 | 174.4 | -89.8 | -89.3 | 0 | 0 | 0 | 112.4 | V123 L126 F209 C213 T216 V250 L251 T252 V256 F258 V259 | V123-F254 HydrophobicContact CG1-CE1 4.03Å; V123-F254 HydrophobicContact CG1-CZ 4.09Å; V123-F254 HydrophobicContact CG2-CE1 4.31Å; L126-F254 HydrophobicContact CB-CE2 3.97Å; L126-F254 HydrophobicContact CD1-CE2 4.25Å; F209-F254 HydrophobicContact CE2-CD1 4.34Å; C213-F254 HydrophobicContact CB-CE1 4.42Å; T216-F254 HydrophobicContact CG2-CD2 4.5Å; T216-F254 HydrophobicContact CG2-CE2 4.11Å; V250-F254 HydrophobicContact CG1-CD2 3.81Å; V250-F254 HydrophobicContact CG1-CE2 3.85Å; V250-F254 WeakPolarHBondContact O-CD2 3.39Å; V250-F254 PolarHBondContact O-N 3.25Å; L251-F254 PolarHBondContact O-N 3.03Å; T252-F254 PolarHBondContact O-N 3.16Å; F254-V256 PolarHBondContact O-N 2.91Å; F254-F258 HydrophobicContact CB-CD2 4.4Å; F254-F258 HydrophobicContact CD1-CB 4.39Å; F254-F258 AromaticContact CD1-CD2 3.76Å; F254-F258 HydrophobicContact CD1-CD2 3.76Å; F254-F258 HydrophobicContact CD2-CD2 4.27Å; F254-F258 HydrophobicContact CE1-CD2 4.03Å; F254-F258 AromaticContact CG-CD2 3.89Å; F254-F258 HydrophobicContact CG-CD2 3.89Å; F254-F258 HydrophobicContact CZ-CD2 4.4Å; F254-F258 PolarHBondContact O-N 3.22Å; F254-V259 WeakPolarHBondContact O-CB 3.41Å; F254-V259 VanDerWaalsContact O-CG2 3.26Å; F254-V259 WeakPolarHBondContact O-CG2 3.13Å; F254-V259 PolarHBondContact O-N 3.19Å |
| 255 | A | 88.8 | Confident | 88.6 | Confident | 59 Ų | 59 | 31.6 Ų | 31.6 | 49% | 0.488 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -67.2 | -34.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L251 T252 V253 P260 | L251-A255 VanDerWaalsContact O-CB 3.28Å; L251-A255 WeakPolarHBondContact O-CB 3.48Å; L251-A255 PolarHBondContact O-N 2.99Å; T252-A255 PolarHBondContact O-N 2.91Å; V253-A255 PolarHBondContact O-N 2.95Å; A255-P260 VanDerWaalsContact O-CD 3.22Å; A255-P260 WeakPolarHBondContact O-CD 3.25Å; A255-P260 VanDerWaalsContact O-CG 3.31Å; A255-P260 WeakPolarHBondContact O-CG 3.38Å |
| 256 | V | 90.3 | Very high | 89.3 | Confident | 67 Ų | 67 | 28.9 Ų | 28.9 | 41% | 0.406 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -93.7 | -42.7 | -175.2 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | T252 F254 P260 L294 | T252-V256 HydrophobicContact CG2-CG2 4.09Å; T252-V256 WeakPolarHBondContact O-CB 3.24Å; T252-V256 WeakPolarHBondContact O-CG2 3.32Å; T252-V256 PolarHBondContact O-N 2.84Å; F254-V256 PolarHBondContact O-N 2.91Å; V256-P260 WeakPolarHBondContact O-CG 3.32Å; V256-L294 WeakPolarHBondContact O-CB 3.21Å |
| 257 | C | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -95.9 | -44.7 | -171.8 | -63.6 | 0 | 0 | 0 | 0 | 113 | V253 L294 A295 N298 L301 | V253-C257 HydrophobicContact CG1-CB 4.39Å; V253-C257 WeakPolarHBondContact O-CA 3.33Å; V253-C257 VanDerWaalsContact O-CB 3.26Å; V253-C257 WeakPolarHBondContact O-CB 3.3Å; V253-C257 PolarHBondContact O-N 3.41Å; C257-L294 WeakPolarHBondContact CA-O 3.44Å; C257-L294 VanDerWaalsContact CB-O 3.24Å; C257-L294 WeakPolarHBondContact CB-O 3.42Å; C257-L294 PolarHBondContact SG-O 2.99Å; C257-A295 VanDerWaalsContact O-CA 3.23Å; C257-A295 WeakPolarHBondContact O-CA 3.34Å; C257-A295 PolarHBondContact O-N 3.11Å; C257-N298 HydrophobicContact CB-CB 3.95Å; C257-L301 VanDerWaalsContact SG-CD1 3.57Å |
| 258 | F | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -94.1 | -49.8 | -169.8 | -54.9 | -46.2 | 0 | 0 | 0 | 113.1 | L119 V123 L126 F209 V253 F254 F261 H262 N298 | L119-F258 HydrophobicContact CD1-CD1 3.47Å; L119-F258 VanDerWaalsContact CD1-CD1 3.47Å; L119-F258 HydrophobicContact CD1-CE1 3.78Å; V123-F258 HydrophobicContact CG2-CB 4.49Å; V123-F258 HydrophobicContact CG2-CD1 4Å; V123-F258 HydrophobicContact CG2-CD2 3.79Å; V123-F258 HydrophobicContact CG2-CE1 4.13Å; V123-F258 HydrophobicContact CG2-CE2 3.97Å; V123-F258 HydrophobicContact CG2-CG 3.84Å; V123-F258 HydrophobicContact CG2-CZ 4.14Å; L126-F258 HydrophobicContact CD1-CE2 3.61Å; L126-F258 HydrophobicContact CD1-CZ 4.07Å; F209-F258 HydrophobicContact CD2-CB 4.31Å; F209-F258 HydrophobicContact CE2-CB 3.68Å; V253-F258 HydrophobicContact CG1-CD2 4.37Å; V253-F258 HydrophobicContact CG1-CE2 3.65Å; V253-F258 HydrophobicContact CG1-CZ 3.99Å; F254-F258 HydrophobicContact CB-CD2 4.4Å; F254-F258 HydrophobicContact CD1-CB 4.39Å; F254-F258 AromaticContact CD1-CD2 3.76Å; F254-F258 HydrophobicContact CD1-CD2 3.76Å; F254-F258 HydrophobicContact CD2-CD2 4.27Å; F254-F258 HydrophobicContact CE1-CD2 4.03Å; F254-F258 AromaticContact CG-CD2 3.89Å; F254-F258 HydrophobicContact CG-CD2 3.89Å; F254-F258 HydrophobicContact CZ-CD2 4.4Å; F254-F258 PolarHBondContact O-N 3.22Å; F258-F261 PolarHBondContact O-N 3.08Å; F258-H262 PolarHBondContact O-N 3.3Å; F258-H262 VanDerWaalsContact O-N 3.09Å; F258-H262 PolarHBondContact O-ND1 3.3Å; F258-N298 HydrophobicContact CE1-CB 3.61Å; F258-N298 HydrophobicContact CZ-CB 3.74Å |
| 259 | V | 93.8 | Very high | 91 | Very high | 44 Ų | 44 | 31.4 Ų | 31.4 | 27% | 0.267 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.8 | -48.1 | -175 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | F209 F254 F261 H262 I263 | F209-V259 HydrophobicContact CZ-CG2 3.95Å; F254-V259 WeakPolarHBondContact O-CB 3.41Å; F254-V259 VanDerWaalsContact O-CG2 3.26Å; F254-V259 WeakPolarHBondContact O-CG2 3.13Å; F254-V259 PolarHBondContact O-N 3.19Å; V259-F261 PolarHBondContact O-N 3.3Å; V259-H262 PolarHBondContact O-N 3.13Å; V259-I263 HydrophobicContact CG1-CD1 3.44Å; V259-I263 VanDerWaalsContact CG1-CD1 3.44Å; V259-I263 HydrophobicContact CG1-CG1 4.13Å; V259-I263 WeakPolarHBondContact O-CB 3.34Å; V259-I263 WeakPolarHBondContact O-CG1 3.35Å; V259-I263 PolarHBondContact O-N 3.33Å |
| 260 | P | 94.9 | Very high | 91.4 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | -176.7 | -24.4 | 37.4 | 0 | 0 | 0 | 112.1 | A255 V256 T264 T291 L294 | A255-P260 VanDerWaalsContact O-CD 3.22Å; A255-P260 WeakPolarHBondContact O-CD 3.25Å; A255-P260 VanDerWaalsContact O-CG 3.31Å; A255-P260 WeakPolarHBondContact O-CG 3.38Å; V256-P260 WeakPolarHBondContact O-CG 3.32Å; P260-T264 WeakPolarHBondContact O-CB 3.22Å; P260-T264 VanDerWaalsContact O-CG2 3.23Å; P260-T264 WeakPolarHBondContact O-CG2 3.47Å; P260-T264 PolarHBondContact O-N 2.64Å; P260-T264 PolarHBondContact O-OG1 3.25Å; P260-T291 HydrophobicContact CB-CG2 4.05Å; P260-L294 HydrophobicContact CB-CD1 4.21Å; P260-L294 HydrophobicContact CG-CD1 4.46Å |
| 261 | F | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -46.7 | 177.1 | 171.7 | -103.6 | 0 | 0 | 0 | 112.1 | F115 Y116 L119 F258 V259 T264 R265 Y288 R292 A295 | F115-F261 HydrophobicContact CE1-CE1 4.27Å; F115-F261 HydrophobicContact CE1-CE2 4.18Å; F115-F261 AromaticContact CE1-CZ 3.71Å; F115-F261 HydrophobicContact CE1-CZ 3.71Å; F115-F261 HydrophobicContact CZ-CE1 4.45Å; F115-F261 HydrophobicContact CZ-CE2 4.02Å; F115-F261 AromaticContact CZ-CZ 3.94Å; F115-F261 HydrophobicContact CZ-CZ 3.94Å; Y116-F261 HydrophobicContact CE1-CE1 4.46Å; Y116-F261 HydrophobicContact CE1-CZ 4.13Å; L119-F261 HydrophobicContact CD2-CD1 3.82Å; L119-F261 HydrophobicContact CD2-CE1 3.45Å; L119-F261 VanDerWaalsContact CD2-CE1 3.45Å; L119-F261 HydrophobicContact CD2-CZ 4.43Å; F258-F261 PolarHBondContact O-N 3.08Å; V259-F261 PolarHBondContact O-N 3.3Å; F261-T264 PolarHBondContact O-OG1 2.89Å; F261-R265 WeakPolarHBondContact O-CB 3.48Å; F261-R265 PolarHBondContact O-N 3.14Å; F261-Y288 HydrophobicContact CD2-CE2 4.26Å; F261-Y288 AromaticContact CE2-CE2 3.68Å; F261-Y288 HydrophobicContact CE2-CE2 3.68Å; F261-Y288 HydrophobicContact CZ-CE2 4.44Å; F261-R292 HydrophobicContact CD2-CG 3.92Å; F261-R292 HydrophobicContact CE2-CG 3.75Å; F261-A295 HydrophobicContact CB-CB 3.86Å; F261-A295 HydrophobicContact CD1-CB 4.28Å; F261-A295 HydrophobicContact CD2-CB 4.28Å; F261-A295 HydrophobicContact CG-CB 3.86Å |
| 262 | H | 95.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | -178.6 | -73.2 | 89.1 | 0 | 0 | 0 | 112.6 | Y120 F209 F258 V259 R265 T266 | Y120-H262 AromaticContact CE1-NE2 3.64Å; F209-H262 HydrophobicContact CD1-CB 3.76Å; F209-H262 AromaticContact CD1-CD2 3.62Å; F209-H262 AromaticContact CD1-CG 3.54Å; F209-H262 AromaticContact CD2-CE1 3.53Å; F209-H262 AromaticContact CD2-CG 3.89Å; F209-H262 AromaticContact CD2-ND1 3.55Å; F209-H262 AromaticContact CD2-NE2 3.89Å; F209-H262 HydrophobicContact CE1-CB 3.54Å; F209-H262 AromaticContact CE1-CG 3.72Å; F209-H262 AromaticContact CE2-ND1 3.66Å; F209-H262 HydrophobicContact CG-CB 4.33Å; F209-H262 AromaticContact CG-CD2 3.49Å; F209-H262 VanDerWaalsContact CG-CD2 3.49Å; F209-H262 WeakPolarHBondContact CG-CD2 3.43Å; F209-H262 AromaticContact CG-CE1 3.72Å; F209-H262 AromaticContact CG-CG 3.62Å; F209-H262 AromaticContact CG-ND1 3.76Å; F209-H262 AromaticContact CG-NE2 3.59Å; F209-H262 HydrophobicContact CZ-CB 3.97Å; F209-H262 AromaticContact CZ-CG 3.98Å; F209-H262 AromaticContact CZ-ND1 3.97Å; F258-H262 PolarHBondContact O-N 3.3Å; F258-H262 VanDerWaalsContact O-N 3.09Å; F258-H262 PolarHBondContact O-ND1 3.3Å; V259-H262 PolarHBondContact O-N 3.13Å; H262-R265 PolarHBondContact CD2-NH2 3.27Å; H262-T266 WeakPolarHBondContact O-CB 3.11Å; H262-T266 PolarHBondContact O-N 3.29Å; H262-T266 PolarHBondContact O-OG1 2.94Å |
| 263 | I | 94.9 | Very high | 91.9 | Very high | 87 Ų | 87 | 35.2 Ų | 35.2 | 45% | 0.446 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.3 | -53.3 | 175.5 | -70.8 | 176.5 | 0 | 0 | 0 | 109.9 | V259 R265 T266 I267 | V259-I263 HydrophobicContact CG1-CD1 3.44Å; V259-I263 VanDerWaalsContact CG1-CD1 3.44Å; V259-I263 HydrophobicContact CG1-CG1 4.13Å; V259-I263 WeakPolarHBondContact O-CB 3.34Å; V259-I263 WeakPolarHBondContact O-CG1 3.35Å; V259-I263 PolarHBondContact O-N 3.33Å; I263-R265 PolarHBondContact O-N 3Å; I263-T266 WeakPolarHBondContact O-CB 3.34Å; I263-T266 PolarHBondContact O-N 3.09Å; I263-T266 VanDerWaalsContact O-N 3.11Å; I263-I267 HydrophobicContact CG2-CD1 3.66Å; I263-I267 HydrophobicContact CG2-CG1 4.38Å; I263-I267 WeakPolarHBondContact O-CG1 3.31Å; I263-I267 PolarHBondContact O-N 3.08Å |
| 264 | T | 94.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | -175.4 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | P260 F261 I267 Y268 V287 T291 | P260-T264 WeakPolarHBondContact O-CB 3.22Å; P260-T264 VanDerWaalsContact O-CG2 3.23Å; P260-T264 WeakPolarHBondContact O-CG2 3.47Å; P260-T264 PolarHBondContact O-N 2.64Å; P260-T264 PolarHBondContact O-OG1 3.25Å; F261-T264 PolarHBondContact O-OG1 2.89Å; T264-I267 PolarHBondContact O-N 3.06Å; T264-Y268 WeakPolarHBondContact O-CB 3.35Å; T264-Y268 PolarHBondContact O-N 3.44Å; T264-V287 HydrophobicContact CG2-CG1 3.48Å; T264-V287 VanDerWaalsContact CG2-CG1 3.48Å; T264-T291 HydrophobicContact CG2-CG2 3.78Å; T264-T291 PolarHBondContact OG1-OG1 2.86Å |
| 265 | R | 92.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 170.1 | -174.1 | 178.9 | 70 | -172.1 | -2.2 | 111.9 | Y120 M205 F261 H262 I263 Y268 Y269 Y288 | Y120-R265 PolarHBondContact OH-NH1 2.82Å; Y120-R265 PolarHBondContact OH-NH2 3.03Å; Y120-R265 VanDerWaalsContact OH-NH2 3.08Å; M205-R265 VanDerWaalsContact CB-NH2 3.3Å; M205-R265 PolarHBondContact SD-NH2 2.78Å; F261-R265 WeakPolarHBondContact O-CB 3.48Å; F261-R265 PolarHBondContact O-N 3.14Å; H262-R265 PolarHBondContact CD2-NH2 3.27Å; I263-R265 PolarHBondContact O-N 3Å; R265-Y268 PolarHBondContact O-N 3.35Å; R265-Y269 HydrophobicContact CG-CD1 4.39Å; R265-Y269 HydrophobicContact CG-CD2 4.36Å; R265-Y269 HydrophobicContact CG-CE1 3.91Å; R265-Y269 HydrophobicContact CG-CE2 3.92Å; R265-Y269 WeakPolarHBondContact O-CD1 3.26Å; R265-Y269 PolarHBondContact O-N 3.48Å; R265-Y288 HydrophobicContact CB-CD2 4.1Å; R265-Y288 HydrophobicContact CB-CE2 3.83Å; R265-Y288 HydrophobicContact CG-CE2 4.04Å |
| 266 | T | 93.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 48 Ų | 48 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 111 | M205 H262 I263 Y268 Y269 L270 | M205-T266 HydrophobicContact CE-CG2 4.24Å; M205-T266 WeakPolarHBondContact CE-OG1 3.46Å; M205-T266 PolarHBondContact SD-OG1 3.43Å; H262-T266 WeakPolarHBondContact O-CB 3.11Å; H262-T266 PolarHBondContact O-N 3.29Å; H262-T266 PolarHBondContact O-OG1 2.94Å; I263-T266 WeakPolarHBondContact O-CB 3.34Å; I263-T266 PolarHBondContact O-N 3.09Å; I263-T266 VanDerWaalsContact O-N 3.11Å; T266-Y268 VanDerWaalsContact C-N 3.33Å; T266-Y268 PolarHBondContact O-N 2.73Å; T266-Y269 PolarHBondContact O-N 3.12Å; T266-L270 WeakPolarHBondContact O-CB 3.46Å; T266-L270 PolarHBondContact O-N 3.39Å |
| 267 | I | 93.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 50.8 Ų | 50.8 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -42 | 177.2 | -63.1 | 169.4 | 0 | 0 | 0 | 110.3 | I263 T264 Y269 L270 A271 V284 | I263-I267 HydrophobicContact CG2-CD1 3.66Å; I263-I267 HydrophobicContact CG2-CG1 4.38Å; I263-I267 WeakPolarHBondContact O-CG1 3.31Å; I263-I267 PolarHBondContact O-N 3.08Å; T264-I267 PolarHBondContact O-N 3.06Å; I267-Y269 PolarHBondContact O-N 3.08Å; I267-L270 PolarHBondContact O-N 2.76Å; I267-A271 VanDerWaalsContact O-CB 3.24Å; I267-A271 WeakPolarHBondContact O-CB 3.33Å; I267-A271 PolarHBondContact O-N 2.85Å; I267-V284 HydrophobicContact CB-CG1 4.3Å; I267-V284 HydrophobicContact CG2-CG1 3.77Å; I267-V284 HydrophobicContact CG2-CG2 3.85Å |
| 268 | Y | 91.3 | Very high | 91.5 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.7 | 177.8 | -110.5 | 0 | 0 | 0 | 112.3 | T264 R265 T266 R272 L281 V284 N285 Y288 | T264-Y268 WeakPolarHBondContact O-CB 3.35Å; T264-Y268 PolarHBondContact O-N 3.44Å; R265-Y268 PolarHBondContact O-N 3.35Å; T266-Y268 VanDerWaalsContact C-N 3.33Å; T266-Y268 PolarHBondContact O-N 2.73Å; Y268-R272 WeakPolarHBondContact O-CB 3.32Å; Y268-R272 PolarHBondContact O-N 3.31Å; Y268-L281 HydrophobicContact CE2-CD1 4.25Å; Y268-V284 HydrophobicContact CD2-CG1 4.17Å; Y268-V284 HydrophobicContact CG-CG1 4.45Å; Y268-N285 HydrophobicContact CD2-CB 4.35Å; Y268-N285 HydrophobicContact CE2-CB 4.07Å; Y268-Y288 HydrophobicContact CD1-CD1 4.32Å; Y268-Y288 HydrophobicContact CG-CD1 4.44Å |
| 269 | Y | 91.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 178.6 | -72.8 | 3.8 | 0 | 0 | 0 | 112.4 | T188 F194 Y197 V198 R265 T266 I267 R272 L273 | T188-Y269 WeakPolarHBondContact CG2-OH 3.42Å; F194-Y269 AromaticContact CE2-CD1 3.92Å; F194-Y269 HydrophobicContact CE2-CD1 3.92Å; F194-Y269 HydrophobicContact CE2-CE1 4.05Å; F194-Y269 AromaticContact CZ-CD1 3.7Å; F194-Y269 HydrophobicContact CZ-CD1 3.7Å; F194-Y269 HydrophobicContact CZ-CE1 4.31Å; F194-Y269 HydrophobicContact CZ-CG 4.08Å; Y197-Y269 HydrophobicContact CE1-CE2 4.41Å; Y197-Y269 WeakPolarHBondContact CE1-OH 3.31Å; V198-Y269 HydrophobicContact CG2-CD2 3.69Å; V198-Y269 HydrophobicContact CG2-CG 3.9Å; R265-Y269 HydrophobicContact CG-CD1 4.39Å; R265-Y269 HydrophobicContact CG-CD2 4.36Å; R265-Y269 HydrophobicContact CG-CE1 3.91Å; R265-Y269 HydrophobicContact CG-CE2 3.92Å; R265-Y269 WeakPolarHBondContact O-CD1 3.26Å; R265-Y269 PolarHBondContact O-N 3.48Å; T266-Y269 PolarHBondContact O-N 3.12Å; I267-Y269 PolarHBondContact O-N 3.08Å; Y269-R272 PolarHBondContact O-N 3.35Å; Y269-L273 WeakPolarHBondContact O-CB 3.46Å; Y269-L273 WeakPolarHBondContact O-CG 3.49Å; Y269-L273 PolarHBondContact O-N 3.31Å |
| 270 | L | 91.2 | Very high | 90.9 | Very high | 96 Ų | 96 | 63.6 Ų | 63.6 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 177.6 | -174.9 | 63.1 | 0 | 0 | 0 | 111.8 | T266 I267 R272 L273 L274 | T266-L270 WeakPolarHBondContact O-CB 3.46Å; T266-L270 PolarHBondContact O-N 3.39Å; I267-L270 PolarHBondContact O-N 2.76Å; L270-R272 VanDerWaalsContact C-N 3.25Å; L270-R272 PolarHBondContact O-N 2.88Å; L270-L273 PolarHBondContact O-N 3.29Å; L270-L274 HydrophobicContact CD1-CD1 3.77Å; L270-L274 HydrophobicContact CD1-CG 4Å; L270-L274 HydrophobicContact CD2-CD1 4.45Å; L270-L274 HydrophobicContact CG-CD1 3.77Å; L270-L274 HydrophobicContact CG-CG 4.33Å; L270-L274 WeakPolarHBondContact O-CB 3.43Å; L270-L274 VanDerWaalsContact O-CG 3.32Å; L270-L274 WeakPolarHBondContact O-CG 3.32Å; L270-L274 PolarHBondContact O-N 2.99Å |
| 271 | A | 90.5 | Very high | 90.6 | Very high | 10 Ų | 10 | 63.4 Ų | 63.4 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I267 E275 A276 L281 | I267-A271 VanDerWaalsContact O-CB 3.24Å; I267-A271 WeakPolarHBondContact O-CB 3.33Å; I267-A271 PolarHBondContact O-N 2.85Å; A271-E275 PolarHBondContact O-N 3.22Å; A271-A276 HydrophobicContact CB-CB 4.17Å; A271-A276 WeakPolarHBondContact O-CB 3.48Å; A271-A276 PolarHBondContact O-N 3.19Å; A271-L281 HydrophobicContact CB-CD1 4.29Å |
| 272 | R | 88.5 | Confident | 90.3 | Very high | 68 Ų | 68 | 65.1 Ų | 65.1 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.9 | -37.9 | 176.9 | -168.1 | 166 | -174.9 | -135.8 | -10 | 112.8 | P191 F194 Y268 Y269 L270 E275 L281 | P191-R272 VanDerWaalsContact CA-NH2 3.33Å; P191-R272 PolarHBondContact O-NH2 2.89Å; F194-R272 HydrophobicContact CD1-CG 4.02Å; F194-R272 HydrophobicContact CE1-CB 3.75Å; F194-R272 HydrophobicContact CE1-CG 3.66Å; F194-R272 HydrophobicContact CZ-CB 4.08Å; F194-R272 HydrophobicContact CZ-CG 4.19Å; Y268-R272 WeakPolarHBondContact O-CB 3.32Å; Y268-R272 PolarHBondContact O-N 3.31Å; Y269-R272 PolarHBondContact O-N 3.35Å; L270-R272 VanDerWaalsContact C-N 3.25Å; L270-R272 PolarHBondContact O-N 2.88Å; R272-E275 PolarHBondContact O-N 3.21Å; R272-L281 HydrophobicContact CB-CD1 4.31Å |
| 273 | L | 88 | Confident | 90 | Very high | 67 Ų | 67 | 69.4 Ų | 69.4 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.1 | -34.2 | 175.3 | -85.2 | 175.1 | 0 | 0 | 0 | 113.4 | F194 V198 Y269 L270 E275 | F194-L273 HydrophobicContact CE1-CG 4.47Å; V198-L273 HydrophobicContact CB-CD1 4.44Å; V198-L273 HydrophobicContact CG1-CD1 3.79Å; V198-L273 HydrophobicContact CG1-CD2 3.81Å; V198-L273 HydrophobicContact CG1-CG 4.01Å; V198-L273 HydrophobicContact CG2-CD1 3.76Å; V198-L273 HydrophobicContact CG2-CG 4.35Å; Y269-L273 WeakPolarHBondContact O-CB 3.46Å; Y269-L273 WeakPolarHBondContact O-CG 3.49Å; Y269-L273 PolarHBondContact O-N 3.31Å; L270-L273 PolarHBondContact O-N 3.29Å; L273-E275 VanDerWaalsContact C-N 3.26Å |
| 274 | L | 88.9 | Confident | 89.8 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 66% | 0.66 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 8.2 | 179.2 | -64.2 | 177.1 | 0 | 0 | 0 | 112.8 | L270 A276 | L270-L274 HydrophobicContact CD1-CD1 3.77Å; L270-L274 HydrophobicContact CD1-CG 4Å; L270-L274 HydrophobicContact CD2-CD1 4.45Å; L270-L274 HydrophobicContact CG-CD1 3.77Å; L270-L274 HydrophobicContact CG-CG 4.33Å; L270-L274 WeakPolarHBondContact O-CB 3.43Å; L270-L274 VanDerWaalsContact O-CG 3.32Å; L270-L274 WeakPolarHBondContact O-CG 3.32Å; L270-L274 PolarHBondContact O-N 2.99Å; L274-A276 PolarHBondContact O-N 2.93Å; L274-A276 VanDerWaalsContact O-N 3.15Å |
| 275 | E | 86.6 | Confident | 89.6 | Confident | 180 Ų | 180 | 65.7 Ų | 65.7 | 84% | 0.841 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.4 | -178.6 | -60.7 | 179.3 | 179.8 | 0 | 0 | 112.5 | A271 R272 L273 | A271-E275 PolarHBondContact O-N 3.22Å; R272-E275 PolarHBondContact O-N 3.21Å; L273-E275 VanDerWaalsContact C-N 3.26Å |
| 276 | A | 87.8 | Confident | 89.4 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 26% | 0.256 | 34% | 0.344 | S | S | . | . | trans | -59.8 | 153 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A271 L274 V280 | A271-A276 HydrophobicContact CB-CB 4.17Å; A271-A276 WeakPolarHBondContact O-CB 3.48Å; A271-A276 PolarHBondContact O-N 3.19Å; L274-A276 PolarHBondContact O-N 2.93Å; L274-A276 VanDerWaalsContact O-N 3.15Å; A276-V280 HydrophobicContact CB-CB 4.33Å; A276-V280 HydrophobicContact CB-CG1 4.18Å | ||
| 277 | D | 89.9 | Confident | 89.4 | Confident | 127 Ų | 127 | 68 Ų | 68 | 68% | 0.679 | 35% | 0.347 | S | S | * | . | trans | -50.6 | 144.5 | -179.1 | -57.1 | -75.6 | 0 | 0 | 0 | 112.6 | R279 V280 L281 | D277-R279 PolarHBondContact O-N 3.1Å; D277-V280 HydrophobicContact CB-CG2 4.46Å; D277-V280 WeakPolarHBondContact O-CA 3.27Å; D277-V280 WeakPolarHBondContact O-CB 3.26Å; D277-V280 PolarHBondContact O-N 3.37Å; D277-L281 PolarHBondContact O-N 3.35Å | ||
| 278 | C | 87 | Confident | 89.3 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -51 | -37.4 | -177 | 177.6 | 0 | 0 | 0 | 0 | 113.3 | C27 V280 L281 N282 | C27-C278 WeakPolarHBondContact CA-SG 3.31Å; C27-C278 HydrophobicContact CB-CB 3.87Å; C27-C278 WeakPolarHBondContact CB-SG 3.26Å; C27-C278 VanDerWaalsContact SG-CA 3.54Å; C27-C278 WeakPolarHBondContact SG-CB 3.36Å; C27-C278 CovalentContact SG-SG 2.04Å; C27-C278 PolarHBondContact SG-SG 3.38Å; C278-V280 PolarHBondContact O-N 3.39Å; C278-L281 PolarHBondContact O-N 3.15Å; C278-N282 WeakPolarHBondContact O-CB 3.47Å; C278-N282 PolarHBondContact O-N 3.49Å |
| 279 | R | 87.4 | Confident | 89.3 | Confident | 201 Ų | 201 | 63.4 Ų | 63.4 | 76% | 0.758 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 176.4 | -165.5 | 178.9 | 91.8 | 175.9 | 4.6 | 112.2 | D277 I283 | D277-R279 PolarHBondContact O-N 3.1Å; R279-I283 HydrophobicContact CG-CD1 4.32Å; R279-I283 WeakPolarHBondContact O-CD1 3.43Å; R279-I283 VanDerWaalsContact O-CG1 3.29Å; R279-I283 WeakPolarHBondContact O-CG1 3.09Å; R279-I283 PolarHBondContact O-N 3.05Å; R279-I283 VanDerWaalsContact O-N 3.15Å |
| 280 | V | 88 | Confident | 89.3 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 38% | 0.376 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -47.3 | 178.4 | 177 | 0 | 0 | 0 | 0 | 109.6 | A276 D277 C278 N282 I283 V284 | A276-V280 HydrophobicContact CB-CB 4.33Å; A276-V280 HydrophobicContact CB-CG1 4.18Å; D277-V280 HydrophobicContact CB-CG2 4.46Å; D277-V280 WeakPolarHBondContact O-CA 3.27Å; D277-V280 WeakPolarHBondContact O-CB 3.26Å; D277-V280 PolarHBondContact O-N 3.37Å; C278-V280 PolarHBondContact O-N 3.39Å; V280-N282 VanDerWaalsContact C-N 3.29Å; V280-N282 PolarHBondContact O-N 2.79Å; V280-I283 PolarHBondContact O-N 2.98Å; V280-V284 HydrophobicContact CG1-CG2 4.24Å; V280-V284 VanDerWaalsContact O-CG2 3.29Å; V280-V284 WeakPolarHBondContact O-CG2 3.39Å; V280-V284 PolarHBondContact O-N 3.09Å |
| 281 | L | 87.5 | Confident | 89.5 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 179.6 | -166.8 | 60.7 | 0 | 0 | 0 | 111.5 | F29 Y268 A271 R272 D277 C278 V284 N285 | F29-L281 HydrophobicContact CE1-CB 4.27Å; F29-L281 HydrophobicContact CE1-CD2 4.26Å; F29-L281 HydrophobicContact CE1-CG 3.83Å; F29-L281 HydrophobicContact CZ-CB 4.47Å; F29-L281 HydrophobicContact CZ-CD2 3.67Å; F29-L281 HydrophobicContact CZ-CG 3.75Å; Y268-L281 HydrophobicContact CE2-CD1 4.25Å; A271-L281 HydrophobicContact CB-CD1 4.29Å; R272-L281 HydrophobicContact CB-CD1 4.31Å; D277-L281 PolarHBondContact O-N 3.35Å; C278-L281 PolarHBondContact O-N 3.15Å; L281-V284 PolarHBondContact O-N 3.27Å; L281-N285 WeakPolarHBondContact O-CB 3.38Å; L281-N285 PolarHBondContact O-N 3.34Å |
| 282 | N | 88.4 | Confident | 89.6 | Confident | 37 Ų | 37 | 62 Ų | 62 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 175.7 | -173.2 | 40.6 | 0 | 0 | 0 | 112.3 | F29 D30 C278 V280 V284 N285 V286 | F29-N282 HydrophobicContact CD1-CB 4.02Å; F29-N282 HydrophobicContact CE1-CB 4.33Å; D30-N282 PolarHBondContact N-OD1 3.18Å; C278-N282 WeakPolarHBondContact O-CB 3.47Å; C278-N282 PolarHBondContact O-N 3.49Å; V280-N282 VanDerWaalsContact C-N 3.29Å; V280-N282 PolarHBondContact O-N 2.79Å; N282-V284 VanDerWaalsContact C-N 3.33Å; N282-V284 PolarHBondContact O-N 3.38Å; N282-N285 PolarHBondContact O-N 2.99Å; N282-V286 VanDerWaalsContact O-CG2 3.26Å; N282-V286 WeakPolarHBondContact O-CG2 3.49Å; N282-V286 PolarHBondContact O-N 2.98Å |
| 283 | I | 89.1 | Confident | 89.9 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 177.4 | -68.6 | 165.2 | 0 | 0 | 0 | 110.6 | R279 V280 N285 V286 V287 | R279-I283 HydrophobicContact CG-CD1 4.32Å; R279-I283 WeakPolarHBondContact O-CD1 3.43Å; R279-I283 VanDerWaalsContact O-CG1 3.29Å; R279-I283 WeakPolarHBondContact O-CG1 3.09Å; R279-I283 PolarHBondContact O-N 3.05Å; R279-I283 VanDerWaalsContact O-N 3.15Å; V280-I283 PolarHBondContact O-N 2.98Å; I283-N285 PolarHBondContact O-N 3.1Å; I283-V286 PolarHBondContact O-N 2.57Å; I283-V287 HydrophobicContact CG2-CG2 4.38Å; I283-V287 WeakPolarHBondContact O-CB 3.33Å; I283-V287 VanDerWaalsContact O-CG2 3.26Å; I283-V287 WeakPolarHBondContact O-CG2 3.27Å; I283-V287 PolarHBondContact O-N 3.1Å |
| 284 | V | 90.3 | Very high | 90.2 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -39 | -177.5 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | I267 Y268 V280 L281 N282 V287 Y288 | I267-V284 HydrophobicContact CB-CG1 4.3Å; I267-V284 HydrophobicContact CG2-CG1 3.77Å; I267-V284 HydrophobicContact CG2-CG2 3.85Å; Y268-V284 HydrophobicContact CD2-CG1 4.17Å; Y268-V284 HydrophobicContact CG-CG1 4.45Å; V280-V284 HydrophobicContact CG1-CG2 4.24Å; V280-V284 VanDerWaalsContact O-CG2 3.29Å; V280-V284 WeakPolarHBondContact O-CG2 3.39Å; V280-V284 PolarHBondContact O-N 3.09Å; L281-V284 PolarHBondContact O-N 3.27Å; N282-V284 VanDerWaalsContact C-N 3.33Å; N282-V284 PolarHBondContact O-N 3.38Å; V284-V287 PolarHBondContact O-N 2.63Å; V284-Y288 VanDerWaalsContact O-CB 3.25Å; V284-Y288 WeakPolarHBondContact O-CB 3.45Å; V284-Y288 PolarHBondContact O-N 2.77Å |
| 285 | N | 88.9 | Confident | 90.4 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 174.5 | 175.9 | 59 | 0 | 0 | 0 | 112.2 | F29 E31 Y268 L281 N282 I283 K289 | F29-N285 HydrophobicContact CD1-CB 4.02Å; F29-N285 WeakPolarHBondContact CD1-ND2 3.36Å; F29-N285 HydrophobicContact CE1-CB 4.01Å; E31-N285 PolarHBondContact OE1-ND2 2.72Å; Y268-N285 HydrophobicContact CD2-CB 4.35Å; Y268-N285 HydrophobicContact CE2-CB 4.07Å; L281-N285 WeakPolarHBondContact O-CB 3.38Å; L281-N285 PolarHBondContact O-N 3.34Å; N282-N285 PolarHBondContact O-N 2.99Å; I283-N285 PolarHBondContact O-N 3.1Å; N285-K289 VanDerWaalsContact CG-NZ 3.33Å; N285-K289 PolarHBondContact ND2-NZ 3.39Å; N285-K289 WeakPolarHBondContact O-CG 3.25Å; N285-K289 PolarHBondContact O-N 2.94Å; N285-K289 PolarHBondContact OD1-NZ 3.02Å |
| 286 | V | 90.6 | Very high | 90.8 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 24% | 0.242 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -52.8 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | F33 N282 I283 Y288 K289 V290 | F33-V286 HydrophobicContact CE1-CB 4.29Å; F33-V286 HydrophobicContact CE1-CG1 4.02Å; F33-V286 HydrophobicContact CE1-CG2 3.86Å; F33-V286 HydrophobicContact CZ-CB 4.24Å; F33-V286 HydrophobicContact CZ-CG1 3.89Å; F33-V286 HydrophobicContact CZ-CG2 4.29Å; N282-V286 VanDerWaalsContact O-CG2 3.26Å; N282-V286 WeakPolarHBondContact O-CG2 3.49Å; N282-V286 PolarHBondContact O-N 2.98Å; I283-V286 PolarHBondContact O-N 2.57Å; V286-Y288 VanDerWaalsContact C-N 3.34Å; V286-Y288 PolarHBondContact O-N 2.87Å; V286-K289 PolarHBondContact O-N 3.23Å; V286-K289 VanDerWaalsContact O-N 3.11Å; V286-V290 HydrophobicContact CG1-CG2 4.34Å; V286-V290 WeakPolarHBondContact O-CG2 3.36Å; V286-V290 PolarHBondContact O-N 3.24Å |
| 287 | V | 91.9 | Very high | 91.1 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 39% | 0.394 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.7 | -43.3 | -178.3 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | T264 I283 V284 K289 V290 T291 | T264-V287 HydrophobicContact CG2-CG1 3.48Å; T264-V287 VanDerWaalsContact CG2-CG1 3.48Å; I283-V287 HydrophobicContact CG2-CG2 4.38Å; I283-V287 WeakPolarHBondContact O-CB 3.33Å; I283-V287 VanDerWaalsContact O-CG2 3.26Å; I283-V287 WeakPolarHBondContact O-CG2 3.27Å; I283-V287 PolarHBondContact O-N 3.1Å; V284-V287 PolarHBondContact O-N 2.63Å; V287-K289 VanDerWaalsContact C-N 3.34Å; V287-K289 PolarHBondContact O-N 3.11Å; V287-V290 PolarHBondContact O-N 2.74Å; V287-T291 WeakPolarHBondContact O-CG2 3.23Å; V287-T291 PolarHBondContact O-N 3.46Å; V287-T291 PolarHBondContact O-OG1 2.91Å |
| 288 | Y | 92 | Very high | 91.2 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58 | -43.9 | 174.4 | 169.8 | -117.2 | 0 | 0 | 0 | 112.1 | F261 R265 Y268 V284 V286 T291 R292 | F261-Y288 HydrophobicContact CD2-CE2 4.26Å; F261-Y288 AromaticContact CE2-CE2 3.68Å; F261-Y288 HydrophobicContact CE2-CE2 3.68Å; F261-Y288 HydrophobicContact CZ-CE2 4.44Å; R265-Y288 HydrophobicContact CB-CD2 4.1Å; R265-Y288 HydrophobicContact CB-CE2 3.83Å; R265-Y288 HydrophobicContact CG-CE2 4.04Å; Y268-Y288 HydrophobicContact CD1-CD1 4.32Å; Y268-Y288 HydrophobicContact CG-CD1 4.44Å; V284-Y288 VanDerWaalsContact O-CB 3.25Å; V284-Y288 WeakPolarHBondContact O-CB 3.45Å; V284-Y288 PolarHBondContact O-N 2.77Å; V286-Y288 VanDerWaalsContact C-N 3.34Å; V286-Y288 PolarHBondContact O-N 2.87Å; Y288-T291 PolarHBondContact O-N 3.03Å; Y288-T291 PolarHBondContact O-OG1 3.41Å; Y288-R292 HydrophobicContact CE2-CG 4.19Å; Y288-R292 WeakPolarHBondContact O-CG 3.47Å; Y288-R292 PolarHBondContact O-N 3.19Å |
| 289 | K | 91.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.3 | -36.5 | 177.3 | -76 | 174.6 | 176.4 | 134.4 | 0 | 112.6 | E31 F33 K34 N285 V286 V287 P293 | E31-K289 IonicContact OE1-NZ 3.14Å; E31-K289 PolarHBondContact OE1-NZ 3.04Å; E31-K289 IonicContact OE2-NZ 2.63Å; E31-K289 PolarHBondContact OE2-NZ 3.43Å; F33-K289 HydrophobicContact CE2-CB 4.18Å; F33-K289 HydrophobicContact CZ-CB 3.93Å; F33-K289 HydrophobicContact CZ-CD 4.37Å; K34-K289 HydrophobicContact CD-CD 4.36Å; N285-K289 VanDerWaalsContact CG-NZ 3.33Å; N285-K289 PolarHBondContact ND2-NZ 3.39Å; N285-K289 WeakPolarHBondContact O-CG 3.25Å; N285-K289 PolarHBondContact O-N 2.94Å; N285-K289 PolarHBondContact OD1-NZ 3.02Å; V286-K289 PolarHBondContact O-N 3.23Å; V286-K289 VanDerWaalsContact O-N 3.11Å; V287-K289 VanDerWaalsContact C-N 3.34Å; V287-K289 PolarHBondContact O-N 3.11Å; K289-P293 VanDerWaalsContact O-CD 3.32Å; K289-P293 WeakPolarHBondContact O-CD 3.34Å |
| 290 | V | 91.7 | Very high | 91.7 | Very high | 66 Ų | 66 | 27.4 Ų | 27.4 | 40% | 0.4 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.8 | -33.1 | 178.3 | 171.5 | 0 | 0 | 0 | 0 | 112.4 | F33 L37 V286 V287 P293 | F33-V290 HydrophobicContact CD2-CG2 4.42Å; F33-V290 HydrophobicContact CE2-CG2 3.76Å; F33-V290 HydrophobicContact CZ-CG2 4.43Å; L37-V290 HydrophobicContact CD2-CB 4.34Å; L37-V290 HydrophobicContact CD2-CG2 3.82Å; V286-V290 HydrophobicContact CG1-CG2 4.34Å; V286-V290 WeakPolarHBondContact O-CG2 3.36Å; V286-V290 PolarHBondContact O-N 3.24Å; V287-V290 PolarHBondContact O-N 2.74Å; V290-P293 WeakPolarHBondContact O-CD 3.34Å |
| 291 | T | 93.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 9% | 0.086 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -82.2 | -19.3 | 179.7 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | P260 T264 V287 Y288 L294 A295 | P260-T291 HydrophobicContact CB-CG2 4.05Å; T264-T291 HydrophobicContact CG2-CG2 3.78Å; T264-T291 PolarHBondContact OG1-OG1 2.86Å; V287-T291 WeakPolarHBondContact O-CG2 3.23Å; V287-T291 PolarHBondContact O-N 3.46Å; V287-T291 PolarHBondContact O-OG1 2.91Å; Y288-T291 PolarHBondContact O-N 3.03Å; Y288-T291 PolarHBondContact O-OG1 3.41Å; T291-L294 HydrophobicContact CG2-CD1 4.43Å; T291-L294 VanDerWaalsContact O-CB 3.25Å; T291-L294 WeakPolarHBondContact O-CB 3.2Å; T291-L294 PolarHBondContact O-N 3.46Å; T291-A295 PolarHBondContact O-N 3.01Å |
| 292 | R | 92.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.9 | -43.8 | 179.2 | -80 | 175.4 | 75.6 | -133.4 | -8.7 | 114.4 | Y42 Y95 D187 F261 Y288 L294 A295 S296 | Y42-R292 PolarHBondContact OH-NH2 3.36Å; Y95-R292 PolarHBondContact OH-NH1 2.91Å; D187-R292 IonicContact OD1-NH1 2.93Å; D187-R292 IonicContact OD1-NH2 2.63Å; D187-R292 IonicContact OD2-CZ 3.86Å; D187-R292 IonicContact OD2-NE 2.87Å; D187-R292 IonicContact OD2-NH1 3.9Å; D187-R292 PolarHBondContact OD2-NH1 2.9Å; D187-R292 VanDerWaalsContact OD2-NH1 3.14Å; D187-R292 IonicContact OD2-NH2 2.57Å; F261-R292 HydrophobicContact CD2-CG 3.92Å; F261-R292 HydrophobicContact CE2-CG 3.75Å; Y288-R292 HydrophobicContact CE2-CG 4.19Å; Y288-R292 WeakPolarHBondContact O-CG 3.47Å; Y288-R292 PolarHBondContact O-N 3.19Å; R292-L294 PolarHBondContact O-N 2.67Å; R292-A295 WeakPolarHBondContact O-CB 3.47Å; R292-A295 PolarHBondContact O-N 2.94Å; R292-S296 PolarHBondContact O-N 3.3Å; R292-S296 PolarHBondContact O-OG 3.45Å |
| 293 | P | 94.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 7% | 0.071 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.5 | -32.4 | 172.5 | -29.1 | 36.5 | 0 | 0 | 0 | 114.4 | L38 K289 V290 A295 S296 A297 | L38-P293 HydrophobicContact CD2-CG 3.6Å; K289-P293 VanDerWaalsContact O-CD 3.32Å; K289-P293 WeakPolarHBondContact O-CD 3.34Å; V290-P293 WeakPolarHBondContact O-CD 3.34Å; P293-A295 VanDerWaalsContact C-N 3.32Å; P293-A295 PolarHBondContact O-N 3.33Å; P293-S296 CarbonylContact O-C 3.59Å; P293-S296 WeakPolarHBondContact O-CA 3.08Å; P293-S296 WeakPolarHBondContact O-CB 3.35Å; P293-S296 PolarHBondContact O-N 2.92Å; P293-A297 PolarHBondContact O-N 3.16Å |
| 294 | L | 94.4 | Very high | 89.9 | Confident | 67 Ų | 67 | 22.5 Ų | 22.5 | 35% | 0.351 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.7 | -56 | 178.7 | 0 | 0 | 0 | 111.3 | V256 C257 P260 T291 R292 S296 A297 | V256-L294 WeakPolarHBondContact O-CB 3.21Å; C257-L294 WeakPolarHBondContact CA-O 3.44Å; C257-L294 VanDerWaalsContact CB-O 3.24Å; C257-L294 WeakPolarHBondContact CB-O 3.42Å; C257-L294 PolarHBondContact SG-O 2.99Å; P260-L294 HydrophobicContact CB-CD1 4.21Å; P260-L294 HydrophobicContact CG-CD1 4.46Å; T291-L294 HydrophobicContact CG2-CD1 4.43Å; T291-L294 VanDerWaalsContact O-CB 3.25Å; T291-L294 WeakPolarHBondContact O-CB 3.2Å; T291-L294 PolarHBondContact O-N 3.46Å; R292-L294 PolarHBondContact O-N 2.67Å; L294-S296 PolarHBondContact O-N 3.13Å; L294-A297 WeakPolarHBondContact O-CB 3.45Å; L294-A297 PolarHBondContact O-N 3.46Å |
| 295 | A | 94.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F115 L119 C257 F261 T291 R292 P293 A297 N298 | F115-A295 HydrophobicContact CE2-CB 4.41Å; F115-A295 HydrophobicContact CZ-CB 4.16Å; L119-A295 HydrophobicContact CD1-CB 4.18Å; C257-A295 VanDerWaalsContact O-CA 3.23Å; C257-A295 WeakPolarHBondContact O-CA 3.34Å; C257-A295 PolarHBondContact O-N 3.11Å; F261-A295 HydrophobicContact CB-CB 3.86Å; F261-A295 HydrophobicContact CD1-CB 4.28Å; F261-A295 HydrophobicContact CD2-CB 4.28Å; F261-A295 HydrophobicContact CG-CB 3.86Å; T291-A295 PolarHBondContact O-N 3.01Å; R292-A295 WeakPolarHBondContact O-CB 3.47Å; R292-A295 PolarHBondContact O-N 2.94Å; P293-A295 VanDerWaalsContact C-N 3.32Å; P293-A295 PolarHBondContact O-N 3.33Å; A295-A297 VanDerWaalsContact C-N 3.34Å; A295-N298 WeakPolarHBondContact O-CB 3.3Å; A295-N298 PolarHBondContact O-N 3.25Å; A295-N298 PolarHBondContact O-ND2 2.69Å |
| 296 | S | 94.9 | Very high | 88 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.1 | -28.5 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 113 | Y42 V45 Y84 R292 P293 L294 N298 S299 | Y42-S296 WeakPolarHBondContact CE1-OG 3.43Å; V45-S296 VanDerWaalsContact CG1-O 3.28Å; V45-S296 WeakPolarHBondContact CG1-O 3.44Å; Y84-S296 WeakPolarHBondContact OH-CB 3.29Å; Y84-S296 PolarHBondContact OH-OG 3.37Å; R292-S296 PolarHBondContact O-N 3.3Å; R292-S296 PolarHBondContact O-OG 3.45Å; P293-S296 CarbonylContact O-C 3.59Å; P293-S296 WeakPolarHBondContact O-CA 3.08Å; P293-S296 WeakPolarHBondContact O-CB 3.35Å; P293-S296 PolarHBondContact O-N 2.92Å; L294-S296 PolarHBondContact O-N 3.13Å; S296-N298 PolarHBondContact O-N 3.24Å; S296-N298 VanDerWaalsContact O-N 3.15Å; S296-S299 PolarHBondContact O-N 2.68Å |
| 297 | A | 93.4 | Very high | 87.1 | Confident | 28 Ų | 28 | 22.5 Ų | 22.5 | 23% | 0.231 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P293 L294 A295 S299 C300 L301 | P293-A297 PolarHBondContact O-N 3.16Å; L294-A297 WeakPolarHBondContact O-CB 3.45Å; L294-A297 PolarHBondContact O-N 3.46Å; A295-A297 VanDerWaalsContact C-N 3.34Å; A297-S299 PolarHBondContact O-N 2.85Å; A297-C300 WeakPolarHBondContact O-CB 3.37Å; A297-C300 PolarHBondContact O-N 2.91Å; A297-L301 PolarHBondContact O-N 3.39Å |
| 298 | N | 92.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -52.5 | -42.1 | 174.1 | 91.7 | 82.1 | 0 | 0 | 0 | 111.4 | D81 N118 S122 C257 F258 A295 S296 C300 L301 D302 | D81-N298 PolarHBondContact OD1-OD1 3.42Å; N118-N298 PolarHBondContact OD1-ND2 3.44Å; S122-N298 WeakPolarHBondContact CB-OD1 3.22Å; S122-N298 PolarHBondContact OG-OD1 3.06Å; C257-N298 HydrophobicContact CB-CB 3.95Å; F258-N298 HydrophobicContact CE1-CB 3.61Å; F258-N298 HydrophobicContact CZ-CB 3.74Å; A295-N298 WeakPolarHBondContact O-CB 3.3Å; A295-N298 PolarHBondContact O-N 3.25Å; A295-N298 PolarHBondContact O-ND2 2.69Å; S296-N298 PolarHBondContact O-N 3.24Å; S296-N298 VanDerWaalsContact O-N 3.15Å; N298-C300 PolarHBondContact O-N 3.31Å; N298-L301 PolarHBondContact O-N 3.29Å; N298-D302 PolarHBondContact O-N 2.94Å |
| 299 | S | 93.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -15.6 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 114.4 | N53 D81 N118 S296 A297 P303 | N53-S299 PolarHBondContact ND2-O 3.28Å; D81-S299 VanDerWaalsContact OD1-CA 3.28Å; D81-S299 WeakPolarHBondContact OD1-CA 3.39Å; D81-S299 VanDerWaalsContact OD1-CB 3.29Å; D81-S299 WeakPolarHBondContact OD1-CB 3.37Å; D81-S299 PolarHBondContact OD1-OG 2.97Å; N118-S299 PolarHBondContact OD1-OG 2.75Å; S296-S299 PolarHBondContact O-N 2.68Å; A297-S299 PolarHBondContact O-N 2.85Å; S299-P303 WeakPolarHBondContact O-CD 3.48Å |
| 300 | C | 91.3 | Very high | 83.5 | Confident | 14 Ų | 14 | 22 Ų | 22 | 10% | 0.095 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -94.2 | -28.7 | 173.9 | -58 | 0 | 0 | 0 | 0 | 112.3 | L48 L52 A297 N298 | L48-C300 HydrophobicContact CB-CB 4.43Å; L52-C300 WeakPolarHBondContact CD1-O 3.18Å; A297-C300 WeakPolarHBondContact O-CB 3.37Å; A297-C300 PolarHBondContact O-N 2.91Å; N298-C300 PolarHBondContact O-N 3.31Å |
| 301 | L | 85.4 | Confident | 82.4 | Confident | 60 Ų | 60 | 21.1 Ų | 21.1 | 31% | 0.314 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -87.2 | -26.3 | -176.5 | -61.9 | -177.4 | 0 | 0 | 0 | 112.8 | V253 C257 A297 N298 V304 L305 | V253-L301 HydrophobicContact CG2-CB 3.82Å; V253-L301 HydrophobicContact CG2-CD1 4.2Å; C257-L301 VanDerWaalsContact SG-CD1 3.57Å; A297-L301 PolarHBondContact O-N 3.39Å; N298-L301 PolarHBondContact O-N 3.29Å; L301-V304 WeakPolarHBondContact O-CA 3.14Å; L301-V304 WeakPolarHBondContact O-CB 3.42Å; L301-V304 PolarHBondContact O-N 3.48Å; L301-L305 PolarHBondContact O-N 3.48Å |
| 302 | D | 81.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | 179 | -72.7 | -13.6 | 0 | 0 | 0 | 113.1 | L77 N298 V304 L305 Y306 | L77-D302 WeakPolarHBondContact CD1-OD2 3.37Å; L77-D302 HydrophobicContact CD2-CB 3.96Å; L77-D302 HydrophobicContact CG-CB 4.23Å; N298-D302 PolarHBondContact O-N 2.94Å; D302-V304 PolarHBondContact O-N 2.89Å; D302-L305 WeakPolarHBondContact O-CA 3.4Å; D302-L305 WeakPolarHBondContact O-CB 3.45Å; D302-L305 PolarHBondContact O-N 3.3Å; D302-Y306 PolarHBondContact O-N 3.48Å |
| 303 | P | 77.3 | Confident | 80.3 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.3 | -30.8 | 168.1 | -29.9 | 38.3 | 0 | 0 | 0 | 115.2 | L52 N53 S299 L305 Y306 L307 | L52-P303 HydrophobicContact CB-CB 3.71Å; L52-P303 HydrophobicContact CB-CG 3.67Å; L52-P303 HydrophobicContact CD1-CB 4.34Å; L52-P303 HydrophobicContact CD1-CG 4.49Å; L52-P303 HydrophobicContact CG-CB 4.42Å; N53-P303 WeakPolarHBondContact OD1-CG 3.26Å; S299-P303 WeakPolarHBondContact O-CD 3.48Å; P303-L305 VanDerWaalsContact C-N 3.31Å; P303-Y306 VanDerWaalsContact CA-CD2 3.41Å; P303-Y306 HydrophobicContact CB-CD2 4.22Å; P303-Y306 HydrophobicContact CB-CE2 4.37Å; P303-Y306 HydrophobicContact CG-CE2 4.29Å; P303-Y306 WeakPolarHBondContact O-CB 3.26Å; P303-Y306 PolarHBondContact O-N 3.43Å; P303-Y306 VanDerWaalsContact O-N 3.11Å; P303-L307 PolarHBondContact O-N 3.39Å |
| 304 | V | 70.9 | Confident | 79.5 | Confident | 54 Ų | 54 | 32.1 Ų | 32.1 | 33% | 0.327 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 173.2 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | L301 D302 Y306 L307 L308 | L301-V304 WeakPolarHBondContact O-CA 3.14Å; L301-V304 WeakPolarHBondContact O-CB 3.42Å; L301-V304 PolarHBondContact O-N 3.48Å; D302-V304 PolarHBondContact O-N 2.89Å; V304-Y306 PolarHBondContact O-N 3.07Å; V304-L307 PolarHBondContact O-N 2.96Å; V304-L308 HydrophobicContact CG1-CD1 3.6Å; V304-L308 HydrophobicContact CG1-CD2 4.26Å; V304-L308 HydrophobicContact CG1-CG 3.77Å; V304-L308 WeakPolarHBondContact O-CB 3.34Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 3.49Å |
| 305 | L | 69.4 | Low | 78.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.7 | -42.2 | 171.1 | -167.8 | 82.2 | 0 | 0 | 0 | 111.4 | M74 L126 I129 T246 V249 V250 L301 D302 P303 L308 T309 | M74-L305 HydrophobicContact CE-CD2 4.33Å; L126-L305 HydrophobicContact CD2-CD2 3.92Å; I129-L305 HydrophobicContact CD1-CD2 4.11Å; T246-L305 HydrophobicContact CG2-CD1 4.38Å; V249-L305 HydrophobicContact CB-CD1 4.01Å; V249-L305 HydrophobicContact CG1-CB 4.28Å; V249-L305 HydrophobicContact CG1-CD1 3.58Å; V250-L305 HydrophobicContact CG2-CD1 3.49Å; V250-L305 VanDerWaalsContact CG2-CD1 3.49Å; L301-L305 PolarHBondContact O-N 3.48Å; D302-L305 WeakPolarHBondContact O-CA 3.4Å; D302-L305 WeakPolarHBondContact O-CB 3.45Å; D302-L305 PolarHBondContact O-N 3.3Å; P303-L305 VanDerWaalsContact C-N 3.31Å; L305-L308 PolarHBondContact O-N 3.16Å; L305-T309 HydrophobicContact CD1-CG2 4.1Å; L305-T309 HydrophobicContact CG-CG2 4.14Å; L305-T309 VanDerWaalsContact O-CB 3.23Å; L305-T309 WeakPolarHBondContact O-CB 3.05Å; L305-T309 WeakPolarHBondContact O-CG2 3.24Å; L305-T309 PolarHBondContact O-N 3.15Å; L305-T309 PolarHBondContact O-OG1 3.48Å |
| 306 | Y | 70.5 | Confident | 78 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | -178.5 | -47.9 | -31.7 | 0 | 0 | 0 | 112.6 | T56 M74 L77 A78 D302 P303 V304 L308 G310 | T56-Y306 HydrophobicContact CG2-CD2 3.51Å; T56-Y306 HydrophobicContact CG2-CE2 3.63Å; M74-Y306 HydrophobicContact CB-CD1 3.84Å; M74-Y306 HydrophobicContact CB-CE1 3.49Å; M74-Y306 VanDerWaalsContact CB-CE1 3.49Å; M74-Y306 HydrophobicContact CE-CD1 3.95Å; M74-Y306 HydrophobicContact CG-CD1 3.55Å; M74-Y306 HydrophobicContact CG-CE1 3.41Å; M74-Y306 VanDerWaalsContact CG-CE1 3.41Å; M74-Y306 PolarHBondContact O-OH 3.38Å; M74-Y306 HydrophobicContact SD-CD1 3.53Å; M74-Y306 VanDerWaalsContact SD-CD1 3.53Å; M74-Y306 HydrophobicContact SD-CE1 4.07Å; M74-Y306 HydrophobicContact SD-CG 4.43Å; L77-Y306 WeakPolarHBondContact CB-OH 3.46Å; L77-Y306 HydrophobicContact CD2-CE1 4.33Å; L77-Y306 WeakPolarHBondContact CD2-OH 3.29Å; L77-Y306 WeakPolarHBondContact CG-OH 3.43Å; A78-Y306 HydrophobicContact CB-CE2 4.21Å; A78-Y306 PolarHBondContact N-OH 2.91Å; D302-Y306 PolarHBondContact O-N 3.48Å; P303-Y306 VanDerWaalsContact CA-CD2 3.41Å; P303-Y306 HydrophobicContact CB-CD2 4.22Å; P303-Y306 HydrophobicContact CB-CE2 4.37Å; P303-Y306 HydrophobicContact CG-CE2 4.29Å; P303-Y306 WeakPolarHBondContact O-CB 3.26Å; P303-Y306 PolarHBondContact O-N 3.43Å; P303-Y306 VanDerWaalsContact O-N 3.11Å; V304-Y306 PolarHBondContact O-N 3.07Å; Y306-L308 VanDerWaalsContact C-N 3.34Å; Y306-G310 WeakPolarHBondContact O-CA 3.38Å; Y306-G310 PolarHBondContact O-N 2.84Å |
| 307 | L | 70.4 | Confident | 77.3 | Confident | 61 Ų | 61 | 40.9 Ų | 40.9 | 32% | 0.319 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 175 | -73.5 | 168.6 | 0 | 0 | 0 | 112.1 | P303 V304 Y313 L317 | P303-L307 PolarHBondContact O-N 3.39Å; V304-L307 PolarHBondContact O-N 2.96Å; L307-Y313 HydrophobicContact CD2-CD1 3.89Å; L307-Y313 HydrophobicContact CD2-CE1 3.53Å; L307-Y313 HydrophobicContact CG-CD1 4.33Å; L307-Y313 HydrophobicContact CG-CE1 3.87Å; L307-L317 HydrophobicContact CD2-CD2 3.54Å |
| 308 | L | 67.6 | Low | 76.7 | Confident | 50 Ų | 50 | 46 Ų | 46 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -78.6 | -26 | -175.4 | -62.6 | -172.9 | 0 | 0 | 0 | 112.6 | R245 V249 V304 L305 Y306 | R245-L308 HydrophobicContact CG-CB 4.33Å; R245-L308 VanDerWaalsContact NE-CB 3.28Å; R245-L308 PolarHBondContact NE-O 3.3Å; V249-L308 HydrophobicContact CB-CD1 4.4Å; V249-L308 HydrophobicContact CG1-CD1 4.34Å; V249-L308 HydrophobicContact CG2-CD1 3.2Å; V249-L308 HydrophobicContact CG2-CG 4.48Å; V304-L308 HydrophobicContact CG1-CD1 3.6Å; V304-L308 HydrophobicContact CG1-CD2 4.26Å; V304-L308 HydrophobicContact CG1-CG 3.77Å; V304-L308 WeakPolarHBondContact O-CB 3.34Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 3.49Å; L305-L308 PolarHBondContact O-N 3.16Å; Y306-L308 VanDerWaalsContact C-N 3.34Å |
| 309 | T | 63.8 | Low | 76.1 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -113.5 | -12.9 | -172.9 | 68.2 | 0 | 0 | 0 | 0 | 114.8 | M74 R242 T246 L305 | M74-T309 VanDerWaalsContact CE-OG1 3.24Å; M74-T309 WeakPolarHBondContact CE-OG1 3.06Å; R242-T309 PolarHBondContact NE-O 3.23Å; R242-T309 PolarHBondContact NH2-O 2.04Å; T246-T309 HydrophobicContact CG2-CG2 4.02Å; T246-T309 WeakPolarHBondContact OG1-CG2 3.48Å; L305-T309 HydrophobicContact CD1-CG2 4.1Å; L305-T309 HydrophobicContact CG-CG2 4.14Å; L305-T309 VanDerWaalsContact O-CB 3.23Å; L305-T309 WeakPolarHBondContact O-CB 3.05Å; L305-T309 WeakPolarHBondContact O-CG2 3.24Å; L305-T309 PolarHBondContact O-N 3.15Å; L305-T309 PolarHBondContact O-OG1 3.48Å |
| 310 | G | 68.4 | Low | 75.3 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | trans | -113.1 | 97.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y306 K312 Y313 R314 | Y306-G310 WeakPolarHBondContact O-CA 3.38Å; Y306-G310 PolarHBondContact O-N 2.84Å; G310-K312 VanDerWaalsContact C-N 3.26Å; G310-K312 PolarHBondContact O-N 2.94Å; G310-Y313 WeakPolarHBondContact O-CB 3.29Å; G310-Y313 PolarHBondContact O-N 2.88Å; G310-Y313 VanDerWaalsContact O-N 3.15Å; G310-R314 PolarHBondContact O-N 3.42Å | ||
| 311 | D | 68.6 | Low | 74.6 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -33.4 | 175.5 | -68.8 | -47.4 | 0 | 0 | 0 | 113.4 | R242 R314 R315 | R242-D311 IonicContact CZ-OD2 3.39Å; R242-D311 VanDerWaalsContact CZ-OD2 3.32Å; R242-D311 IonicContact NH1-OD2 3.86Å; R242-D311 PolarHBondContact NH1-OD2 3.35Å; R242-D311 IonicContact NH2-OD2 3.91Å; D311-R314 IonicContact OD1-CZ 2.68Å; D311-R314 IonicContact OD1-NH2 3.32Å; D311-R314 PolarHBondContact OD1-NH2 2.97Å; D311-R315 WeakPolarHBondContact O-CB 3.36Å; D311-R315 VanDerWaalsContact O-CG 3.26Å; D311-R315 WeakPolarHBondContact O-CG 3.32Å; D311-R315 PolarHBondContact O-N 3.48Å; D311-R315 PolarHBondContact O-NE 3.4Å |
| 312 | K | 70.8 | Confident | 73.7 | Confident | 127 Ų | 127 | 58.7 Ų | 58.7 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.1 | -43.8 | 175.2 | -65.9 | -177.7 | -177.7 | 171 | 0 | 110.9 | L64 G310 R315 Q316 | L64-K312 HydrophobicContact CD2-CB 4.17Å; G310-K312 VanDerWaalsContact C-N 3.26Å; G310-K312 PolarHBondContact O-N 2.94Å; K312-R315 PolarHBondContact O-N 3.39Å; K312-Q316 WeakPolarHBondContact O-CG 3.4Å; K312-Q316 PolarHBondContact O-N 3.42Å |
| 313 | Y | 72.3 | Confident | 72.5 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 7% | 0.071 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.3 | -51.7 | 177.5 | -175.3 | -93.5 | 0 | 0 | 0 | 110.9 | T56 L59 L64 L307 G310 R315 Q316 L317 | T56-Y313 HydrophobicContact CG2-CE2 4.22Å; T56-Y313 PolarHBondContact OG1-OH 3.33Å; L59-Y313 HydrophobicContact CB-CE2 4.3Å; L59-Y313 HydrophobicContact CD1-CD2 4.12Å; L59-Y313 HydrophobicContact CD1-CE2 3.43Å; L59-Y313 VanDerWaalsContact CD1-CE2 3.43Å; L64-Y313 HydrophobicContact CD1-CD2 3.86Å; L307-Y313 HydrophobicContact CD2-CD1 3.89Å; L307-Y313 HydrophobicContact CD2-CE1 3.53Å; L307-Y313 HydrophobicContact CG-CD1 4.33Å; L307-Y313 HydrophobicContact CG-CE1 3.87Å; G310-Y313 WeakPolarHBondContact O-CB 3.29Å; G310-Y313 PolarHBondContact O-N 2.88Å; G310-Y313 VanDerWaalsContact O-N 3.15Å; Y313-R315 VanDerWaalsContact C-N 3.34Å; Y313-R315 PolarHBondContact O-N 3.35Å; Y313-Q316 PolarHBondContact O-N 2.93Å; Y313-L317 HydrophobicContact CE1-CD2 4.35Å; Y313-L317 WeakPolarHBondContact O-CB 3.38Å; Y313-L317 PolarHBondContact O-N 3.14Å |
| 314 | R | 77.8 | Confident | 71 | Confident | 115 Ų | 115 | 64.4 Ų | 64.4 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 176.9 | -179.1 | 171.2 | 57.6 | 156.8 | -3.4 | 112.5 | G310 D311 L317 H318 | G310-R314 PolarHBondContact O-N 3.42Å; D311-R314 IonicContact OD1-CZ 2.68Å; D311-R314 IonicContact OD1-NH2 3.32Å; D311-R314 PolarHBondContact OD1-NH2 2.97Å; R314-L317 PolarHBondContact O-N 3.41Å; R314-H318 WeakPolarHBondContact O-CB 3.45Å; R314-H318 PolarHBondContact O-CD2 3.35Å; R314-H318 VanDerWaalsContact O-CD2 3.31Å; R314-H318 PolarHBondContact O-N 3.43Å |
| 315 | R | 78.4 | Confident | 69.8 | Low | 158 Ų | 158 | 71.3 Ų | 71.3 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.4 | -45.3 | 177.3 | -79.7 | -178.7 | -111.7 | 174.6 | -10 | 112.4 | D311 K312 Y313 H318 Q319 | D311-R315 WeakPolarHBondContact O-CB 3.36Å; D311-R315 VanDerWaalsContact O-CG 3.26Å; D311-R315 WeakPolarHBondContact O-CG 3.32Å; D311-R315 PolarHBondContact O-N 3.48Å; D311-R315 PolarHBondContact O-NE 3.4Å; K312-R315 PolarHBondContact O-N 3.39Å; Y313-R315 VanDerWaalsContact C-N 3.34Å; Y313-R315 PolarHBondContact O-N 3.35Å; R315-H318 PolarHBondContact O-N 2.98Å; R315-Q319 VanDerWaalsContact O-CG 3.31Å; R315-Q319 WeakPolarHBondContact O-CG 3.42Å; R315-Q319 PolarHBondContact O-N 2.89Å |
| 316 | Q | 80.1 | Confident | 68.6 | Low | 40 Ų | 40 | 77.2 Ų | 77.2 | 19% | 0.187 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 177.9 | -74.4 | -61.8 | -53.8 | 0 | 0 | 111.9 | L59 L64 K312 Y313 Q319 L320 | L59-Q316 HydrophobicContact CD2-CB 4.25Å; L64-Q316 HydrophobicContact CD2-CB 4.43Å; L64-Q316 HydrophobicContact CD2-CG 3.81Å; K312-Q316 WeakPolarHBondContact O-CG 3.4Å; K312-Q316 PolarHBondContact O-N 3.42Å; Y313-Q316 PolarHBondContact O-N 2.93Å; Q316-Q319 PolarHBondContact O-N 3.27Å; Q316-L320 WeakPolarHBondContact O-CG 3.35Å; Q316-L320 PolarHBondContact O-N 2.85Å; Q316-L320 VanDerWaalsContact O-N 3.11Å |
| 317 | L | 78.7 | Confident | 67.3 | Low | 54 Ų | 54 | 85.8 Ų | 85.8 | 28% | 0.283 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 176.5 | -171.9 | 64.3 | 0 | 0 | 0 | 111.7 | L307 Y313 R314 Q319 L320 C321 | L307-L317 HydrophobicContact CD2-CD2 3.54Å; Y313-L317 HydrophobicContact CE1-CD2 4.35Å; Y313-L317 WeakPolarHBondContact O-CB 3.38Å; Y313-L317 PolarHBondContact O-N 3.14Å; R314-L317 PolarHBondContact O-N 3.41Å; L317-Q319 VanDerWaalsContact C-N 3.3Å; L317-Q319 PolarHBondContact O-N 3.1Å; L317-L320 PolarHBondContact O-N 3.02Å; L317-L320 VanDerWaalsContact O-N 3.16Å; L317-C321 PolarHBondContact O-N 3.15Å; L317-C321 PolarHBondContact O-SG 2.97Å; L317-C321 VanDerWaalsContact O-SG 3.41Å |
| 318 | H | 80.7 | Confident | 65.8 | Low | 134 Ų | 134 | 88.1 Ų | 88.1 | 62% | 0.62 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.2 | -36.2 | 173.9 | -91.8 | -78.9 | 0 | 0 | 0 | 113 | R314 R315 L320 G322 | R314-H318 WeakPolarHBondContact O-CB 3.45Å; R314-H318 PolarHBondContact O-CD2 3.35Å; R314-H318 VanDerWaalsContact O-CD2 3.31Å; R314-H318 PolarHBondContact O-N 3.43Å; R315-H318 PolarHBondContact O-N 2.98Å; H318-L320 VanDerWaalsContact C-N 3.31Å; H318-L320 PolarHBondContact O-N 3.47Å; H318-G322 WeakPolarHBondContact O-CA 3.41Å; H318-G322 PolarHBondContact O-N 3.38Å |
| 319 | Q | 80.6 | Confident | 64.3 | Low | 105 Ų | 105 | 97.2 Ų | 97.2 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 175.9 | -75.6 | 173.8 | -6.1 | 0 | 0 | 112.3 | R315 Q316 L317 | R315-Q319 VanDerWaalsContact O-CG 3.31Å; R315-Q319 WeakPolarHBondContact O-CG 3.42Å; R315-Q319 PolarHBondContact O-N 2.89Å; Q316-Q319 PolarHBondContact O-N 3.27Å; L317-Q319 VanDerWaalsContact C-N 3.3Å; L317-Q319 PolarHBondContact O-N 3.1Å |
| 320 | L | 76.3 | Confident | 62.9 | Low | 74 Ų | 74 | 103.2 Ų | 103.2 | 39% | 0.387 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.8 | -41.7 | 177.3 | -68.8 | 165.7 | 0 | 0 | 0 | 112.3 | W58 L59 Q316 L317 H318 | W58-L320 HydrophobicContact CH2-CD2 4.48Å; W58-L320 HydrophobicContact CZ3-CD1 3.91Å; L59-L320 HydrophobicContact CD2-CD1 3.6Å; Q316-L320 WeakPolarHBondContact O-CG 3.35Å; Q316-L320 PolarHBondContact O-N 2.85Å; Q316-L320 VanDerWaalsContact O-N 3.11Å; L317-L320 PolarHBondContact O-N 3.02Å; L317-L320 VanDerWaalsContact O-N 3.16Å; H318-L320 VanDerWaalsContact C-N 3.31Å; H318-L320 PolarHBondContact O-N 3.47Å |
| 321 | C | 77.3 | Confident | 61.3 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -80 | -24.9 | 180 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | L317 | L317-C321 PolarHBondContact O-N 3.15Å; L317-C321 PolarHBondContact O-SG 2.97Å; L317-C321 VanDerWaalsContact O-SG 3.41Å |
| 322 | G | 65.7 | Low | 59.7 | Low | 60 Ų | 60 | 109.2 Ų | 109.2 | 62% | 0.619 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 6.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116 | H318 G324 | H318-G322 WeakPolarHBondContact O-CA 3.41Å; H318-G322 PolarHBondContact O-N 3.38Å; G322-G324 PolarHBondContact O-N 3.34Å |
| 323 | G | 56.5 | Low | 58.3 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 76% | 0.763 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.9 | 23.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 324 | G | 45.8 | Very low | 56.5 | Low | 48 Ų | 48 | 112.6 Ų | 112.6 | 50% | 0.495 | 65% | 0.649 | S | S | . | * | trans | -79.5 | 125 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G322 | G322-G324 PolarHBondContact O-N 3.34Š| ||
| 325 | K | 46.6 | Very low | 54.7 | Low | 199 Ų | 199 | 115.5 Ų | 115.5 | 87% | 0.865 | 67% | 0.673 | S | S | * | * | trans | -45.8 | 138.7 | 171.6 | -77.4 | 178.4 | 176.6 | 176.4 | 0 | 111.4 | Q327 | K325-Q327 PolarHBondContact O-N 2.94Å; K325-Q327 VanDerWaalsContact O-N 3.15Å | ||
| 326 | P | 43 | Very low | 52.7 | Low | 125 Ų | 125 | 111.9 Ų | 111.9 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 118.5 | 177.7 | 25.2 | -31.2 | 0 | 0 | 0 | 109.8 | ||
| 327 | Q | 45 | Very low | 50.4 | Low | 182 Ų | 182 | 117.1 Ų | 117.1 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126.7 | 169.8 | -164.9 | 152.5 | 6.7 | 0 | 0 | 108.2 | K325 R329 | K325-Q327 PolarHBondContact O-N 2.94Å; K325-Q327 VanDerWaalsContact O-N 3.15Å; Q327-R329 PolarHBondContact O-N 3.36Å |
| 328 | P | 37.9 | Very low | 48.2 | Very low | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.6 | 179.3 | -17.7 | 28.9 | 0 | 0 | 0 | 109.3 | T330 | P328-T330 PolarHBondContact O-N 2.99Š|
| 329 | R | 36.3 | Very low | 45.9 | Very low | 240 Ų | 240 | 119.2 Ų | 119.2 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -58.6 | 104.9 | 164.7 | -77.2 | 178.1 | 165.6 | 167.7 | -3.5 | 107.3 | Q327 A331 | Q327-R329 PolarHBondContact O-N 3.36Å; R329-A331 VanDerWaalsContact C-N 3.3Å; R329-A331 PolarHBondContact O-N 2.89Å | ||
| 330 | T | 33.9 | Very low | 43.5 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | -63 | 101.4 | 157.6 | 24.5 | 0 | 0 | 0 | 0 | 106.4 | P328 A332 | P328-T330 PolarHBondContact O-N 2.99Å; T330-A332 PolarHBondContact O-N 3.24Å | ||
| 331 | A | 34.5 | Very low | 41.5 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -59.1 | 107.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | R329 S333 | R329-A331 VanDerWaalsContact C-N 3.3Å; R329-A331 PolarHBondContact O-N 2.89Å; A331-S333 PolarHBondContact O-N 2.86Å | ||
| 332 | A | 35.4 | Very low | 39.2 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -67.5 | 83.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107 | T330 S334 | T330-A332 PolarHBondContact O-N 3.24Å; A332-S334 PolarHBondContact O-N 3.01Å | ||
| 333 | S | 41.5 | Very low | 37.7 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -80 | 106.1 | 159.5 | -162.3 | 0 | 0 | 0 | 0 | 105.9 | A331 | A331-S333 PolarHBondContact O-N 2.86Š| ||
| 334 | S | 34.6 | Very low | 36.5 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -153 | 81 | 168.4 | -61.9 | 0 | 0 | 0 | 0 | 108.7 | A332 A336 | A332-S334 PolarHBondContact O-N 3.01Å; S334-A336 PolarHBondContact O-N 3.45Å | ||
| 335 | L | 40.2 | Very low | 35.7 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -62.3 | 85.6 | 140.4 | -87.1 | 159.4 | 0 | 0 | 0 | 106.3 | ||||
| 336 | A | 35.3 | Very low | 34.9 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -89.8 | 103.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | S334 V338 | S334-A336 PolarHBondContact O-N 3.45Å; A336-V338 PolarHBondContact O-N 3.41Å | ||
| 337 | L | 33 | Very low | 34.2 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -50.4 | 126.4 | 164.4 | -106 | 93 | 0 | 0 | 0 | 108.4 | S339 | L337-S339 PolarHBondContact O-N 3.21Å; L337-S339 VanDerWaalsContact O-N 3.12Å | ||
| 338 | V | 32.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -72.4 | 98 | 163.6 | 173.3 | 0 | 0 | 0 | 0 | 106.6 | A336 | A336-V338 PolarHBondContact O-N 3.41Š| ||
| 339 | S | 31.5 | Very low | 33.1 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | -90 | 112 | 161.7 | -54.2 | 0 | 0 | 0 | 0 | 107.4 | L337 | L337-S339 PolarHBondContact O-N 3.21Å; L337-S339 VanDerWaalsContact O-N 3.12Å | ||
| 340 | L | 31.4 | Very low | 32.9 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 136.8 | 166.2 | -73.2 | 161.8 | 0 | 0 | 0 | 108.9 | ||
| 341 | P | 32.9 | Very low | 32.9 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 117.9 | 161.1 | 1.6 | 17.3 | 0 | 0 | 0 | 109 | ||
| 342 | E | 30.8 | Very low | 33.2 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 150.3 | 162.1 | -85.6 | 175.6 | 108 | 0 | 0 | 111.6 | ||
| 343 | D | 32.4 | Very low | 33.1 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -48 | 130.4 | 175.2 | -134.7 | -16.6 | 0 | 0 | 0 | 112.9 | ||
| 344 | S | 31.2 | Very low | 32.6 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -156.1 | 112.4 | 155.1 | 39.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 345 | S | 30.7 | Very low | 32.5 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -30.6 | 140.2 | 160.6 | 54.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 346 | C | 29.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 72% | 0.716 | 81% | 0.807 | S | S | * | * | trans | -175.7 | 93.5 | 140.9 | -101.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 347 | R | 28.5 | Very low | 31.9 | Very low | 252 Ų | 252 | 145.4 Ų | 145.4 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | 19.3 | 111.7 | 103.5 | -81.3 | -174.3 | -165.1 | -146.1 | 2.2 | 114.8 | |||||
| 348 | W | 29.4 | Very low | 31.8 | Very low | 254 Ų | 254 | 143.1 Ų | 143.1 | 96% | 0.962 | 81% | 0.812 | S | S | * | * | trans | -108.8 | 104.7 | 158.3 | -71.8 | 102.4 | 0 | 0 | 0 | 109.3 | ||||
| 349 | A | 30.5 | Very low | 32.1 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -151.6 | 117.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 350 | A | 30.7 | Very low | 33 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -173.5 | 106.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 351 | T | 33.8 | Very low | 33.1 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | 62.7 | 144.4 | 79.1 | 55 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 352 | P | 41.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -101.3 | 170.4 | -153.9 | 38.9 | -30.3 | 0 | 0 | 0 | 113.6 | ||||
| 353 | Q | 33.6 | Very low | 33.9 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | -139.8 | 123.8 | 167.4 | -118.9 | 177.1 | -4.5 | 0 | 0 | 112.2 | ||||
| 354 | D | 32.1 | Very low | 34.6 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -69.5 | 150.9 | 169 | -75.1 | -47.6 | 0 | 0 | 0 | 112.7 | ||||
| 355 | S | 31.9 | Very low | 35.1 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | 173.6 | 120.7 | 115.2 | 40.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 356 | S | 31.6 | Very low | 35.3 | Very low | 108 Ų | 108 | 153.5 Ų | 153.5 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | 43.3 | 126.3 | 139.4 | 56.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 357 | F | 30.4 | Very low | 35.6 | Very low | 193 Ų | 193 | 155.9 Ų | 155.9 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | -177.1 | 154.2 | 90.4 | -142.2 | -100.3 | 0 | 0 | 0 | 114 | |||||
| 358 | S | 31.3 | Very low | 36 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | trans | 77.4 | 109 | 161.3 | 43.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 359 | T | 38.3 | Very low | 36.4 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -61.5 | 175.8 | 152.6 | 34.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 360 | P | 50.6 | Low | 36.8 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -147.2 | 174.4 | 27 | 40.2 | -18.2 | 0 | 0 | 0 | 120 | ||||
| 361 | R | 34.6 | Very low | 37.2 | Very low | 234 Ų | 234 | 151.1 Ų | 151.1 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | 102.7 | 117.1 | 137.4 | -116.7 | -178.9 | -166.7 | 160 | 3.9 | 119.9 | ||||
| 362 | A | 38.3 | Very low | 37.4 | Very low | 81 Ų | 81 | 152.1 Ų | 152.1 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | trans | 52.7 | 137.9 | 130.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 363 | D | 41.4 | Very low | 37.1 | Very low | 120 Ų | 120 | 154.4 Ų | 154.4 | 64% | 0.642 | 82% | 0.821 | S | S | * | * | cis | -165.7 | 157.3 | 35.1 | -111.7 | -52.5 | 0 | 0 | 0 | 108.6 | ||||
| 364 | R | 46.5 | Very low | 37.4 | Very low | 214 Ų | 214 | 150.6 Ų | 150.6 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | 26.6 | 129.7 | 141.8 | -65.1 | 175.8 | -121.6 | -152.9 | 1.3 | 118.4 | ||||
| 365 | L | 42 | Very low | 37.9 | Very low | 240 Ų | 240 | 150 Ų | 150 | 100% | 1.257 | 81% | 0.809 | S | S | * | * | -167.9 | 0 | 50.4 | -121.2 | 152.9 | 0 | 0 | 0 | 108.5 |
Retrieved 365 of 365 residues in 214 ms
(Link to these results)