| 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 | 32.3 | Very low | 62.7 | Low | 242 Ų | 242 | 118.5 Ų | 118.5 | 100% | 1.192 | 65% | 0.649 | S | S | * | * | 0 | 96.3 | 0 | -163.4 | -177.8 | -75.6 | 0 | 0 | 105.9 | Q3 | M1-Q3 PolarHBondContact O-N 2.93Š| |||
| 2 | M | 46.9 | Very low | 63.1 | Low | 175 Ų | 175 | 124.5 Ų | 124.5 | 86% | 0.862 | 66% | 0.657 | S | S | * | * | trans | -68.7 | 124.3 | 179 | -82.6 | 175.6 | 172.3 | 0 | 0 | 107.9 | S4 | M2-S4 PolarHBondContact O-N 3.31Å; M2-S4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | Q | 54.2 | Low | 64 | Low | 157 Ų | 157 | 116.1 Ų | 116.1 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | trans | -62 | 111.7 | 169.7 | -80.1 | 174.8 | -22.2 | 0 | 0 | 107.8 | M1 F5 | M1-Q3 PolarHBondContact O-N 2.93Å; Q3-F5 HydrophobicContact CB-CD2 4.3Å; Q3-F5 HydrophobicContact CB-CE2 3.81Å; Q3-F5 HydrophobicContact CB-CZ 4.22Å; Q3-F5 WeakPolarHBondContact O-CD2 3.41Å; Q3-F5 PolarHBondContact O-N 2.93Å; Q3-F5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | S | 59.4 | Low | 65.1 | Low | 116 Ų | 116 | 107.9 Ų | 107.9 | 81% | 0.811 | 57% | 0.571 | S | S | * | * | trans | -76.2 | 94 | 172 | 55.6 | 0 | 0 | 0 | 0 | 108.2 | M2 | M2-S4 PolarHBondContact O-N 3.31Å; M2-S4 VanDerWaalsContact O-N 3.1Å | ||
| 5 | F | 65.5 | Low | 66.2 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 143.1 | 167.3 | -68.3 | -83.5 | 0 | 0 | 0 | 108.9 | Q3 L23 | Q3-F5 HydrophobicContact CB-CD2 4.3Å; Q3-F5 HydrophobicContact CB-CE2 3.81Å; Q3-F5 HydrophobicContact CB-CZ 4.22Å; Q3-F5 WeakPolarHBondContact O-CD2 3.41Å; Q3-F5 PolarHBondContact O-N 2.93Å; Q3-F5 VanDerWaalsContact O-N 3.08Å; F5-L23 HydrophobicContact CD2-CD2 4.25Å; F5-L23 HydrophobicContact CE2-CD2 4.33Å |
| 6 | P | 71.4 | Confident | 67 | Low | 96 Ų | 96 | 98.2 Ų | 98.2 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 141.8 | 172.7 | 26.1 | -32.7 | 0 | 0 | 0 | 109.9 | R15 | P6-R15 PolarHBondContact O-NH2 2.85Š|
| 7 | Q | 74.7 | Confident | 67.9 | Low | 157 Ų | 157 | 96.9 Ų | 96.9 | 73% | 0.734 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 138.3 | 178.6 | -165.4 | 177 | 0.4 | 0 | 0 | 110.2 | D56 | Q7-D56 WeakPolarHBondContact CA-OD2 3.18Å; Q7-D56 WeakPolarHBondContact CG-OD2 3.31Å |
| 8 | C | 76.1 | Confident | 68.5 | Low | 6 Ų | 6 | 95.6 Ų | 95.6 | 4% | 0.041 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 147.5 | 176.8 | -65.9 | 0 | 0 | 0 | 0 | 111 | G10 C13 C26 D56 | C8-G10 PolarHBondContact O-N 3.21Å; C8-G10 VanDerWaalsContact O-N 3.14Å; C8-C13 HydrophobicContact CB-CB 4Å; C8-C13 WeakPolarHBondContact CB-O 3.27Å; C8-C26 WeakPolarHBondContact CA-SG 3.31Å; C8-C26 HydrophobicContact CB-CB 3.85Å; C8-C26 WeakPolarHBondContact CB-SG 3.49Å; C8-C26 WeakPolarHBondContact SG-CB 3.31Å; C8-C26 CovalentContact SG-SG 2.04Å; C8-C26 PolarHBondContact SG-SG 3.21Å; C8-D56 HydrophobicContact CB-CB 3.81Å; C8-D56 PolarHBondContact N-OD2 3Å; C8-D56 VanDerWaalsContact SG-CB 3.53Å |
| 9 | P | 74.2 | Confident | 68.9 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -64.9 | 112.3 | 176.5 | -20.9 | 31.4 | 0 | 0 | 0 | 112.3 | C13 L43 | P9-C13 VanDerWaalsContact O-CB 3.25Å; P9-C13 WeakPolarHBondContact O-CB 3.44Å; P9-C13 PolarHBondContact O-SG 3.16Å; P9-L43 HydrophobicContact CB-CD1 3.78Å; P9-L43 HydrophobicContact CB-CD2 3.98Å; P9-L43 VanDerWaalsContact CD-CD2 3.45Å; P9-L43 HydrophobicContact CG-CD1 3.85Å; P9-L43 HydrophobicContact CG-CD2 3.55Å; P9-L43 HydrophobicContact CG-CG 4.3Å |
| 10 | G | 67.9 | Low | 69.5 | Low | 50 Ų | 50 | 96.7 Ų | 96.7 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | S | Bend | trans | 75.8 | 165.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C8 Y12 | C8-G10 PolarHBondContact O-N 3.21Å; C8-G10 VanDerWaalsContact O-N 3.14Å; G10-Y12 PolarHBondContact O-N 3.35Å |
| 11 | D | 67 | Low | 69.9 | Low | 137 Ų | 137 | 94.3 Ų | 94.3 | 73% | 0.733 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.7 | -168.9 | -59.5 | -23.6 | 0 | 0 | 0 | 114.8 | ||
| 12 | Y | 67.8 | Low | 72.2 | Confident | 190 Ų | 190 | 87.4 Ų | 87.4 | 75% | 0.745 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -9.4 | -175.4 | -58.7 | -75.7 | 0 | 0 | 0 | 113.6 | G10 C46 | G10-Y12 PolarHBondContact O-N 3.35Å; Y12-C46 PolarHBondContact O-N 3.11Å |
| 13 | C | 74.9 | Confident | 73.7 | Confident | 15 Ų | 15 | 82 Ų | 82 | 10% | 0.101 | 48% | 0.481 | C | S | . | . | trans | -93 | 132.2 | -179.8 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | C8 P9 L43 | C8-C13 HydrophobicContact CB-CB 4Å; C8-C13 WeakPolarHBondContact CB-O 3.27Å; P9-C13 VanDerWaalsContact O-CB 3.25Å; P9-C13 WeakPolarHBondContact O-CB 3.44Å; P9-C13 PolarHBondContact O-SG 3.16Å; C13-L43 HydrophobicContact CB-CD2 3.92Å | ||
| 14 | G | 79.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.01 | 46% | 0.455 | C | S | . | . | trans | -146.5 | 178.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G27 D56 C58 | G14-G27 PolarHBondContact O-N 3.17Å; G14-G27 VanDerWaalsContact O-N 3.11Å; G14-D56 CarbonylContact C-O 3.55Å; G14-D56 WeakPolarHBondContact CA-O 3.47Å; G14-C58 VanDerWaalsContact C-SG 3.54Å | ||
| 15 | R | 80.6 | Confident | 75.4 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 5% | 0.045 | 45% | 0.449 | C | S | . | . | B | Isolated β-bridge | trans | -107.7 | 142.3 | 179.4 | -58.9 | 174.8 | 180 | -92.4 | -0.1 | 109.1 | P6 S24 D25 C26 D56 I57 C58 | P6-R15 PolarHBondContact O-NH2 2.85Å; R15-S24 WeakPolarHBondContact CA-OG 3.32Å; R15-S24 WeakPolarHBondContact CB-O 3.39Å; R15-S24 VanDerWaalsContact CD-O 3.31Å; R15-S24 WeakPolarHBondContact CD-O 3.2Å; R15-S24 VanDerWaalsContact CG-O 3.25Å; R15-S24 WeakPolarHBondContact CG-O 3.49Å; R15-S24 PolarHBondContact NH1-O 3.28Å; R15-D25 IonicContact NH1-OD1 3.5Å; R15-C26 PolarHBondContact NH2-SG 2.94Å; R15-C26 VanDerWaalsContact NH2-SG 3.44Å; R15-D56 PolarHBondContact N-O 3.04Å; R15-I57 CarbonylContact O-C 3.38Å; R15-I57 WeakPolarHBondContact O-CA 3.43Å; R15-C58 PolarHBondContact O-N 3.24Å |
| 16 | T | 79.7 | Confident | 75.6 | Confident | 49 Ų | 49 | 73 Ų | 73 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 144.3 | 171.1 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | S24 C58 | T16-S24 PolarHBondContact N-OG 3.1Å; T16-S24 PolarHBondContact O-N 3.03Å; T16-S24 WeakPolarHBondContact OG1-CB 3.45Å; T16-S24 PolarHBondContact OG1-OG 2.91Å; T16-C58 HydrophobicContact CG2-CB 4.46Å |
| 17 | V | 81.3 | Confident | 75.1 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -94.1 | 124.5 | 173.1 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | N22 I57 | V17-N22 WeakPolarHBondContact CA-O 3.44Å; V17-I57 HydrophobicContact CG2-CG2 3.76Å |
| 18 | D | 79.1 | Confident | 73.9 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 169.3 | 175 | 76.1 | 10.1 | 0 | 0 | 0 | 111.8 | S20 G21 N22 | D18-S20 PolarHBondContact O-N 2.87Å; D18-S20 VanDerWaalsContact OD1-C 3.26Å; D18-S20 VanDerWaalsContact OD1-CA 3.23Å; D18-S20 WeakPolarHBondContact OD1-CA 3.24Å; D18-S20 VanDerWaalsContact OD1-CB 3.24Å; D18-S20 WeakPolarHBondContact OD1-CB 3.23Å; D18-S20 PolarHBondContact OD1-N 3.14Å; D18-G21 PolarHBondContact O-N 3.39Å; D18-G21 PolarHBondContact OD1-N 3.16Å; D18-N22 PolarHBondContact N-O 2.9Å; D18-N22 PolarHBondContact OD1-N 2.65Å; D18-N22 WeakPolarHBondContact OD2-CB 2.98Å; D18-N22 PolarHBondContact OD2-ND2 2.78Å; D18-N22 VanDerWaalsContact OD2-ND2 3.17Å |
| 19 | A | 77.2 | Confident | 72.3 | Confident | 116 Ų | 116 | 73 Ų | 73 | 96% | 0.959 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -14.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 20 | S | 79.7 | Confident | 70.9 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 67% | 0.671 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -4.7 | 178.2 | -42.1 | 0 | 0 | 0 | 0 | 112.5 | D18 | D18-S20 PolarHBondContact O-N 2.87Å; D18-S20 VanDerWaalsContact OD1-C 3.26Å; D18-S20 VanDerWaalsContact OD1-CA 3.23Å; D18-S20 WeakPolarHBondContact OD1-CA 3.24Å; D18-S20 VanDerWaalsContact OD1-CB 3.24Å; D18-S20 WeakPolarHBondContact OD1-CB 3.23Å; D18-S20 PolarHBondContact OD1-N 3.14Å |
| 21 | G | 78.6 | Confident | 70 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 85 | 5.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | D18 | D18-G21 PolarHBondContact O-N 3.39Å; D18-G21 PolarHBondContact OD1-N 3.16Å |
| 22 | N | 81.4 | Confident | 68.9 | Low | 97 Ų | 97 | 77.3 Ų | 77.3 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -80 | 140.7 | 176.1 | -54.5 | -49.9 | 0 | 0 | 0 | 110.7 | V17 D18 | V17-N22 WeakPolarHBondContact CA-O 3.44Å; D18-N22 PolarHBondContact N-O 2.9Å; D18-N22 PolarHBondContact OD1-N 2.65Å; D18-N22 WeakPolarHBondContact OD2-CB 2.98Å; D18-N22 PolarHBondContact OD2-ND2 2.78Å; D18-N22 VanDerWaalsContact OD2-ND2 3.17Å |
| 23 | L | 77.8 | Confident | 67.6 | Low | 63 Ų | 63 | 79.7 Ų | 79.7 | 33% | 0.33 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -82.6 | 137.1 | 173.7 | -75.3 | 76.7 | 0 | 0 | 0 | 110 | F5 I57 | F5-L23 HydrophobicContact CD2-CD2 4.25Å; F5-L23 HydrophobicContact CE2-CD2 4.33Å; L23-I57 HydrophobicContact CD2-CD1 4.16Å; L23-I57 HydrophobicContact CD2-CG1 4.13Å |
| 24 | S | 75.2 | Confident | 66.1 | Low | 27 Ų | 27 | 90 Ų | 90 | 19% | 0.189 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 169.2 | 166.3 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | R15 T16 | R15-S24 WeakPolarHBondContact CA-OG 3.32Å; R15-S24 WeakPolarHBondContact CB-O 3.39Å; R15-S24 VanDerWaalsContact CD-O 3.31Å; R15-S24 WeakPolarHBondContact CD-O 3.2Å; R15-S24 VanDerWaalsContact CG-O 3.25Å; R15-S24 WeakPolarHBondContact CG-O 3.49Å; R15-S24 PolarHBondContact NH1-O 3.28Å; T16-S24 PolarHBondContact N-OG 3.1Å; T16-S24 PolarHBondContact O-N 3.03Å; T16-S24 WeakPolarHBondContact OG1-CB 3.45Å; T16-S24 PolarHBondContact OG1-OG 2.91Å |
| 25 | D | 73.1 | Confident | 63.9 | Low | 128 Ų | 128 | 97.1 Ų | 97.1 | 68% | 0.684 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 161.7 | 159.9 | -71.6 | -38.6 | 0 | 0 | 0 | 110.9 | R15 G27 | R15-D25 IonicContact NH1-OD1 3.5Å; D25-G27 PolarHBondContact O-N 3.48Å; D25-G27 VanDerWaalsContact O-N 3.09Å |
| 26 | C | 71.1 | Confident | 61.6 | Low | 21 Ų | 21 | 102.5 Ų | 102.5 | 14% | 0.142 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -59.4 | 114.4 | 170.8 | -63.5 | 0 | 0 | 0 | 0 | 107.9 | C8 R15 V42 L43 | C8-C26 WeakPolarHBondContact CA-SG 3.31Å; C8-C26 HydrophobicContact CB-CB 3.85Å; C8-C26 WeakPolarHBondContact CB-SG 3.49Å; C8-C26 WeakPolarHBondContact SG-CB 3.31Å; C8-C26 CovalentContact SG-SG 2.04Å; C8-C26 PolarHBondContact SG-SG 3.21Å; R15-C26 PolarHBondContact NH2-SG 2.94Å; R15-C26 VanDerWaalsContact NH2-SG 3.44Å; C26-V42 VanDerWaalsContact O-O 3.09Å; C26-L43 HydrophobicContact CB-CD2 4.4Å |
| 27 | G | 60.3 | Low | 59.3 | Low | 6 Ų | 6 | 109 Ų | 109 | 6% | 0.062 | 58% | 0.576 | C | S | . | * | S | Bend | trans | 109.7 | 135.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G14 D25 R29 | G14-G27 PolarHBondContact O-N 3.17Å; G14-G27 VanDerWaalsContact O-N 3.11Å; D25-G27 PolarHBondContact O-N 3.48Å; D25-G27 VanDerWaalsContact O-N 3.09Å; G27-R29 PolarHBondContact O-N 3.11Å |
| 28 | V | 49.5 | Very low | 57.1 | Low | 21 Ų | 21 | 110.1 Ų | 110.1 | 13% | 0.127 | 58% | 0.579 | C | S | . | * | trans | -64.7 | 124.9 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | T30 Q44 E47 | V28-T30 PolarHBondContact O-N 2.73Å; V28-Q44 HydrophobicContact CB-CB 3.99Å; V28-Q44 HydrophobicContact CB-CG 4.17Å; V28-Q44 HydrophobicContact CG2-CB 4.27Å; V28-Q44 HydrophobicContact CG2-CG 4.36Å; V28-E47 HydrophobicContact CG2-CG 4.01Å | ||
| 29 | R | 43.2 | Very low | 55.1 | Low | 233 Ų | 233 | 113.1 Ų | 113.1 | 88% | 0.879 | 60% | 0.604 | S | S | * | * | trans | -76.4 | 103.4 | 167 | -168.6 | -173.7 | -111.2 | -139.4 | 2.1 | 108 | G27 | G27-R29 PolarHBondContact O-N 3.11Š| ||
| 30 | T | 43 | Very low | 53.4 | Low | 83 Ų | 83 | 114.4 Ų | 114.4 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | trans | -64.8 | 140.6 | 166.7 | 60.3 | 0 | 0 | 0 | 0 | 108.8 | V28 N32 | V28-T30 PolarHBondContact O-N 2.73Å; T30-N32 PolarHBondContact O-N 2.78Å | ||
| 31 | S | 49.1 | Very low | 51.7 | Low | 123 Ų | 123 | 113.7 Ų | 113.7 | 86% | 0.86 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -66.2 | -2.1 | -175.9 | 91.4 | 0 | 0 | 0 | 0 | 113.6 | R33 | S31-R33 PolarHBondContact O-N 2.91Š|
| 32 | N | 45.3 | Very low | 49.9 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 78% | 0.775 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -94 | 90.2 | -179.5 | -121.1 | -13.9 | 0 | 0 | 0 | 111.2 | T30 R34 | T30-N32 PolarHBondContact O-N 2.78Å; N32-R34 PolarHBondContact O-N 2.98Å |
| 33 | R | 40.6 | Very low | 48.4 | Very low | 240 Ų | 240 | 115.1 Ų | 115.1 | 91% | 0.906 | 59% | 0.594 | S | S | * | * | trans | -42.9 | 98.3 | 172.3 | -165.3 | -174.8 | -75.2 | -168.7 | -3.8 | 113 | S31 | S31-R33 PolarHBondContact O-N 2.91Š| ||
| 34 | R | 41.6 | Very low | 47.5 | Very low | 231 Ų | 231 | 116.3 Ų | 116.3 | 87% | 0.872 | 60% | 0.598 | S | S | * | * | trans | -155.4 | 110.9 | 147.8 | -133.4 | 177.3 | -81.1 | -152.8 | 0 | 111.6 | N32 L36 | N32-R34 PolarHBondContact O-N 2.98Å; R34-L36 PolarHBondContact O-N 3.35Å; R34-L36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | L | 35.4 | Very low | 47.2 | Very low | 151 Ų | 151 | 117.5 Ų | 117.5 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | trans | -57.7 | 106.8 | 169.1 | -79.8 | 146.4 | 0 | 0 | 0 | 109.3 | F37 | L35-F37 HydrophobicContact CD2-CE2 4.39Š| ||
| 36 | L | 31.5 | Very low | 47.4 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | trans | -109.8 | 110.2 | 161.9 | -140.3 | 78.4 | 0 | 0 | 0 | 107.6 | R34 N38 | R34-L36 PolarHBondContact O-N 3.35Å; R34-L36 VanDerWaalsContact O-N 3.14Å; L36-N38 PolarHBondContact O-N 2.92Å | ||
| 37 | F | 32.5 | Very low | 47.5 | Very low | 185 Ų | 185 | 116.6 Ų | 116.6 | 81% | 0.811 | 60% | 0.6 | S | S | * | * | trans | -69.2 | 64 | 178.8 | -85.7 | -93 | 0 | 0 | 0 | 111.6 | L35 | L35-F37 HydrophobicContact CD2-CE2 4.39Š| ||
| 38 | N | 33.4 | Very low | 48.1 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 54% | 0.535 | 64% | 0.635 | S | S | . | * | trans | -151.5 | 106 | 178.5 | -50.2 | 61.7 | 0 | 0 | 0 | 108.5 | L36 V40 | L36-N38 PolarHBondContact O-N 2.92Å; N38-V40 PolarHBondContact O-N 2.75Å | ||
| 39 | C | 37.8 | Very low | 49.2 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 92% | 0.919 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 49.4 | -175.2 | -64.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 40 | V | 42 | Very low | 50.8 | Low | 143 Ų | 143 | 115.7 Ų | 115.7 | 87% | 0.867 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -2.5 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | N38 | N38-V40 PolarHBondContact O-N 2.75Š|
| 41 | S | 44 | Very low | 52.3 | Low | 82 Ų | 82 | 117.5 Ų | 117.5 | 57% | 0.573 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -130.2 | -2.9 | -179.4 | 59.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 42 | V | 40.7 | Very low | 53.7 | Low | 90 Ų | 90 | 112.4 Ų | 112.4 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | trans | -107.1 | 30.6 | -174.9 | -162.3 | 0 | 0 | 0 | 0 | 112.3 | C26 | C26-V42 VanDerWaalsContact O-O 3.09Š| ||
| 43 | L | 49.7 | Very low | 55.3 | Low | 83 Ų | 83 | 108.1 Ų | 108.1 | 44% | 0.435 | 54% | 0.537 | S | S | . | . | trans | -112.2 | 62.7 | 160.6 | -75.7 | 164.2 | 0 | 0 | 0 | 107.1 | P9 C13 C26 A45 | P9-L43 HydrophobicContact CB-CD1 3.78Å; P9-L43 HydrophobicContact CB-CD2 3.98Å; P9-L43 VanDerWaalsContact CD-CD2 3.45Å; P9-L43 HydrophobicContact CG-CD1 3.85Å; P9-L43 HydrophobicContact CG-CD2 3.55Å; P9-L43 HydrophobicContact CG-CG 4.3Å; C13-L43 HydrophobicContact CB-CD2 3.92Å; C26-L43 HydrophobicContact CB-CD2 4.4Å; L43-A45 PolarHBondContact O-N 3.11Å; L43-A45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | Q | 59.3 | Low | 57.2 | Low | 89 Ų | 89 | 106.4 Ų | 106.4 | 42% | 0.416 | 54% | 0.539 | S | S | . | . | trans | -69.5 | 114.8 | 172.8 | -157.6 | 151 | -56.4 | 0 | 0 | 106.2 | V28 | V28-Q44 HydrophobicContact CB-CB 3.99Å; V28-Q44 HydrophobicContact CB-CG 4.17Å; V28-Q44 HydrophobicContact CG2-CB 4.27Å; V28-Q44 HydrophobicContact CG2-CG 4.36Å | ||
| 45 | A | 68.9 | Low | 59 | Low | 52 Ų | 52 | 104 Ų | 104 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 157.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L43 E47 | L43-A45 PolarHBondContact O-N 3.11Å; L43-A45 VanDerWaalsContact O-N 3.11Å; A45-E47 PolarHBondContact O-N 3.46Å |
| 46 | C | 75.7 | Confident | 61.2 | Low | 14 Ų | 14 | 97.8 Ų | 97.8 | 10% | 0.095 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -47.3 | 143.3 | 174.3 | -69.5 | 0 | 0 | 0 | 0 | 111.3 | Y12 T50 R51 A52 C58 | Y12-C46 PolarHBondContact O-N 3.11Å; C46-T50 WeakPolarHBondContact CB-OG1 3.48Å; C46-R51 VanDerWaalsContact SG-C 3.57Å; C46-A52 PolarHBondContact SG-N 3.09Å; C46-A52 VanDerWaalsContact SG-N 3.38Å; C46-C58 WeakPolarHBondContact CA-SG 3.25Å; C46-C58 HydrophobicContact CB-CB 3.8Å; C46-C58 WeakPolarHBondContact CB-SG 3.08Å; C46-C58 VanDerWaalsContact SG-CA 3.51Å; C46-C58 WeakPolarHBondContact SG-CB 3.34Å; C46-C58 CovalentContact SG-SG 2.05Å; C46-C58 PolarHBondContact SG-SG 2.85Å |
| 47 | E | 74.5 | Confident | 63.7 | Low | 116 Ų | 116 | 93.2 Ų | 93.2 | 54% | 0.542 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 155.8 | -179.5 | -67.6 | -170 | 159.4 | 0 | 0 | 111.4 | V28 A45 G49 T50 | V28-E47 HydrophobicContact CG2-CG 4.01Å; A45-E47 PolarHBondContact O-N 3.46Å; E47-G49 PolarHBondContact O-N 2.05Å; E47-T50 PolarHBondContact N-OG1 3.38Å; E47-T50 VanDerWaalsContact N-OG1 3.1Å; E47-T50 WeakPolarHBondContact O-CB 3.07Å; E47-T50 PolarHBondContact O-N 3.4Å; E47-T50 PolarHBondContact O-OG1 2.71Å |
| 48 | W | 72.3 | Confident | 66.1 | Low | 209 Ų | 209 | 85.4 Ų | 85.4 | 79% | 0.792 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 132.4 | 176.9 | -65.5 | -10.9 | 0 | 0 | 0 | 111.4 | T136 Q137 | W48-T136 VanDerWaalsContact CA-OG1 3.27Å; W48-T136 WeakPolarHBondContact CA-OG1 3.45Å; W48-Q137 HydrophobicContact CB-CG 4.3Å |
| 49 | G | 73.5 | Confident | 68.4 | Low | 2 Ų | 2 | 83.3 Ų | 83.3 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 0.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | E47 C61 T136 | E47-G49 PolarHBondContact O-N 2.05Å; G49-C61 PolarHBondContact O-N 2.87Å; G49-T136 PolarHBondContact N-OG1 2.85Å |
| 50 | T | 75.7 | Confident | 70.4 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 18% | 0.184 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.7 | -178.7 | 68 | 0 | 0 | 0 | 0 | 113.2 | C46 E47 V59 R60 | C46-T50 WeakPolarHBondContact CB-OG1 3.48Å; E47-T50 PolarHBondContact N-OG1 3.38Å; E47-T50 VanDerWaalsContact N-OG1 3.1Å; E47-T50 WeakPolarHBondContact O-CB 3.07Å; E47-T50 PolarHBondContact O-N 3.4Å; E47-T50 PolarHBondContact O-OG1 2.71Å; T50-V59 CarbonylContact C-O 3.38Å; T50-V59 WeakPolarHBondContact CA-O 3.35Å; T50-V59 VanDerWaalsContact CB-O 3.29Å; T50-V59 WeakPolarHBondContact CB-O 3.29Å; T50-R60 HydrophobicContact CG2-CG 4.36Å |
| 51 | R | 75.4 | Confident | 71.9 | Confident | 120 Ų | 120 | 77.4 Ų | 77.4 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 154.6 | 176.5 | 67.7 | -179.6 | -175.6 | 130.6 | -4 | 111.2 | C46 C58 V59 | C46-R51 VanDerWaalsContact SG-C 3.57Å; R51-C58 CarbonylContact O-C 3.58Å; R51-C58 WeakPolarHBondContact O-CA 3.15Å; R51-V59 HydrophobicContact CG-CG2 4.3Å; R51-V59 PolarHBondContact N-O 3.17Å; R51-V59 WeakPolarHBondContact O-CG2 3.41Å; R51-V59 PolarHBondContact O-N 3.05Å |
| 52 | A | 78.3 | Confident | 73.2 | Confident | 17 Ų | 17 | 80.6 Ų | 80.6 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | C46 I57 | C46-A52 PolarHBondContact SG-N 3.09Å; C46-A52 VanDerWaalsContact SG-N 3.38Å; A52-I57 CarbonylContact C-O 3.57Å; A52-I57 WeakPolarHBondContact CA-O 3.29Å |
| 53 | D | 79.2 | Confident | 74.2 | Confident | 54 Ų | 54 | 78.6 Ų | 78.6 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | trans | -84.2 | -176.8 | 168.6 | 81.6 | -17.9 | 0 | 0 | 0 | 111.4 | R55 D56 I57 V59 | D53-R55 PolarHBondContact O-N 2.78Å; D53-R55 VanDerWaalsContact OD1-C 3.3Å; D53-R55 VanDerWaalsContact OD1-CA 3.28Å; D53-R55 WeakPolarHBondContact OD1-CA 3.44Å; D53-R55 WeakPolarHBondContact OD1-CB 3.4Å; D53-R55 PolarHBondContact OD1-N 2.8Å; D53-D56 PolarHBondContact O-N 2.91Å; D53-D56 PolarHBondContact OD1-N 3.13Å; D53-I57 PolarHBondContact N-O 3.43Å; D53-I57 WeakPolarHBondContact OD1-CB 3.35Å; D53-I57 PolarHBondContact OD1-N 2.82Å; D53-V59 HydrophobicContact CB-CG1 4.34Å; D53-V59 HydrophobicContact CB-CG2 4.15Å | ||
| 54 | Q | 78.8 | Confident | 75.1 | Confident | 204 Ų | 204 | 81.7 Ų | 81.7 | 95% | 0.953 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.2 | 177 | -67.7 | -179.3 | -14.2 | 0 | 0 | 114.3 | ||
| 55 | R | 81.1 | Confident | 75.7 | Confident | 180 Ų | 180 | 78.2 Ų | 78.2 | 68% | 0.679 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 13.3 | 178.2 | -58.1 | 178.6 | 177.1 | 177.7 | 1.8 | 111.7 | D53 I57 | D53-R55 PolarHBondContact O-N 2.78Å; D53-R55 VanDerWaalsContact OD1-C 3.3Å; D53-R55 VanDerWaalsContact OD1-CA 3.28Å; D53-R55 WeakPolarHBondContact OD1-CA 3.44Å; D53-R55 WeakPolarHBondContact OD1-CB 3.4Å; D53-R55 PolarHBondContact OD1-N 2.8Å; R55-I57 HydrophobicContact CB-CD1 4.14Å; R55-I57 HydrophobicContact CB-CG1 4.18Å; R55-I57 PolarHBondContact O-N 2.84Å |
| 56 | D | 81.6 | Confident | 76.1 | Confident | 21 Ų | 21 | 78.7 Ų | 78.7 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 56 | 33.7 | -173.8 | -47.9 | -46.6 | 0 | 0 | 0 | 113.3 | Q7 C8 G14 R15 D53 | Q7-D56 WeakPolarHBondContact CA-OD2 3.18Å; Q7-D56 WeakPolarHBondContact CG-OD2 3.31Å; C8-D56 HydrophobicContact CB-CB 3.81Å; C8-D56 PolarHBondContact N-OD2 3Å; C8-D56 VanDerWaalsContact SG-CB 3.53Å; G14-D56 CarbonylContact C-O 3.55Å; G14-D56 WeakPolarHBondContact CA-O 3.47Å; R15-D56 PolarHBondContact N-O 3.04Å; D53-D56 PolarHBondContact O-N 2.91Å; D53-D56 PolarHBondContact OD1-N 3.13Å |
| 57 | I | 83.4 | Confident | 76.5 | Confident | 31 Ų | 31 | 82.6 Ų | 82.6 | 16% | 0.159 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -100.7 | 129.3 | 174.6 | -59 | 174.3 | 0 | 0 | 0 | 108.7 | R15 V17 L23 A52 D53 R55 V59 | R15-I57 CarbonylContact O-C 3.38Å; R15-I57 WeakPolarHBondContact O-CA 3.43Å; V17-I57 HydrophobicContact CG2-CG2 3.76Å; L23-I57 HydrophobicContact CD2-CD1 4.16Å; L23-I57 HydrophobicContact CD2-CG1 4.13Å; A52-I57 CarbonylContact C-O 3.57Å; A52-I57 WeakPolarHBondContact CA-O 3.29Å; D53-I57 PolarHBondContact N-O 3.43Å; D53-I57 WeakPolarHBondContact OD1-CB 3.35Å; D53-I57 PolarHBondContact OD1-N 2.82Å; R55-I57 HydrophobicContact CB-CD1 4.14Å; R55-I57 HydrophobicContact CB-CG1 4.18Å; R55-I57 PolarHBondContact O-N 2.84Å; I57-V59 HydrophobicContact CG2-CG1 4.42Å; I57-V59 PolarHBondContact O-N 3.29Å; I57-V59 VanDerWaalsContact O-N 3.13Å |
| 58 | C | 83 | Confident | 77.1 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 106.8 | 175.1 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | G14 R15 T16 C46 R51 | G14-C58 VanDerWaalsContact C-SG 3.54Å; R15-C58 PolarHBondContact O-N 3.24Å; T16-C58 HydrophobicContact CG2-CB 4.46Å; C46-C58 WeakPolarHBondContact CA-SG 3.25Å; C46-C58 HydrophobicContact CB-CB 3.8Å; C46-C58 WeakPolarHBondContact CB-SG 3.08Å; C46-C58 VanDerWaalsContact SG-CA 3.51Å; C46-C58 WeakPolarHBondContact SG-CB 3.34Å; C46-C58 CovalentContact SG-SG 2.05Å; C46-C58 PolarHBondContact SG-SG 2.85Å; R51-C58 CarbonylContact O-C 3.58Å; R51-C58 WeakPolarHBondContact O-CA 3.15Å |
| 59 | V | 81.4 | Confident | 77.8 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 153.1 | 175.7 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | T50 R51 D53 I57 | T50-V59 CarbonylContact C-O 3.38Å; T50-V59 WeakPolarHBondContact CA-O 3.35Å; T50-V59 VanDerWaalsContact CB-O 3.29Å; T50-V59 WeakPolarHBondContact CB-O 3.29Å; R51-V59 HydrophobicContact CG-CG2 4.3Å; R51-V59 PolarHBondContact N-O 3.17Å; R51-V59 WeakPolarHBondContact O-CG2 3.41Å; R51-V59 PolarHBondContact O-N 3.05Å; D53-V59 HydrophobicContact CB-CG1 4.34Å; D53-V59 HydrophobicContact CB-CG2 4.15Å; I57-V59 HydrophobicContact CG2-CG1 4.42Å; I57-V59 PolarHBondContact O-N 3.29Å; I57-V59 VanDerWaalsContact O-N 3.13Å |
| 60 | R | 79.4 | Confident | 78.5 | Confident | 154 Ų | 154 | 75 Ų | 75 | 58% | 0.581 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 140.9 | 174.9 | -70.8 | -175.3 | -177.6 | 172.2 | 2.5 | 110.7 | T50 E62 Y134 | T50-R60 HydrophobicContact CG2-CG 4.36Å; R60-E62 VanDerWaalsContact C-N 3.35Å; R60-E62 PolarHBondContact O-N 3.13Å; R60-Y134 HydrophobicContact CB-CD1 4.44Å; R60-Y134 HydrophobicContact CB-CE1 4.2Å; R60-Y134 PolarHBondContact NH1-OH 2.84Å |
| 61 | C | 74.9 | Confident | 79.2 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | trans | -77.3 | 85 | 178.3 | -69.2 | 0 | 0 | 0 | 0 | 110.8 | G49 L63 N124 Y134 C135 | G49-C61 PolarHBondContact O-N 2.87Å; C61-L63 PolarHBondContact O-N 2.97Å; C61-N124 PolarHBondContact O-ND2 3.26Å; C61-N124 PolarHBondContact O-OD1 3.33Å; C61-Y134 WeakPolarHBondContact O-CD1 3.35Å; C61-C135 WeakPolarHBondContact CB-SG 3.49Å | ||
| 62 | E | 70.6 | Confident | 80 | Confident | 149 Ų | 149 | 68.9 Ų | 68.9 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | trans | -81.8 | 21.9 | 173.4 | -62.4 | -176.4 | 170.1 | 0 | 0 | 112.9 | R60 E64 | R60-E62 VanDerWaalsContact C-N 3.35Å; R60-E62 PolarHBondContact O-N 3.13Å; E62-E64 PolarHBondContact O-N 3.39Å | ||
| 63 | L | 62.1 | Low | 80.6 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | trans | -70 | 103.8 | -166.3 | -86 | 156.9 | 0 | 0 | 0 | 112.7 | C61 | C61-L63 PolarHBondContact O-N 2.97Š| ||
| 64 | E | 67.4 | Low | 81.1 | Confident | 149 Ų | 149 | 69.3 Ų | 69.3 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 140.4 | 144.7 | -66.2 | 179.9 | 157.8 | 0 | 0 | 108.9 | E62 T66 | E62-E64 PolarHBondContact O-N 3.39Å; E64-T66 PolarHBondContact O-N 2.98Å |
| 65 | P | 72 | Confident | 81.8 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 126 | 176.6 | 18.2 | -29.1 | 0 | 0 | 0 | 110.2 | H69 W70 F122 | P65-H69 HydrophobicContact CB-CB 4.1Å; P65-W70 HydrophobicContact CB-CZ2 4.22Å; P65-W70 HydrophobicContact CG-CH2 4.49Å; P65-W70 HydrophobicContact CG-CZ2 3.43Å; P65-W70 VanDerWaalsContact CG-CZ2 3.43Å; P65-W70 PolarHBondContact O-NE1 3.42Å; P65-F122 HydrophobicContact CB-CD1 4.18Å; P65-F122 HydrophobicContact CB-CG 4.32Å; P65-F122 HydrophobicContact CG-CB 3.82Å; P65-F122 HydrophobicContact CG-CD1 4.17Å; P65-F122 HydrophobicContact CG-CD2 4.27Å; P65-F122 HydrophobicContact CG-CG 3.86Å |
| 66 | T | 78.8 | Confident | 82.4 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 161.3 | 177 | 69.2 | 0 | 0 | 0 | 0 | 110.4 | E64 Y68 H69 W70 | E64-T66 PolarHBondContact O-N 2.98Å; T66-Y68 PolarHBondContact O-N 3.35Å; T66-Y68 VanDerWaalsContact O-N 3.15Å; T66-Y68 PolarHBondContact OG1-N 2.91Å; T66-H69 PolarHBondContact N-ND1 2.9Å; T66-H69 WeakPolarHBondContact O-CB 3.35Å; T66-H69 PolarHBondContact O-N 2.94Å; T66-H69 PolarHBondContact OG1-CD2 3.24Å; T66-H69 VanDerWaalsContact OG1-CD2 3.31Å; T66-H69 PolarHBondContact OG1-N 3.16Å; T66-H69 PolarHBondContact OG1-NE2 3.33Å; T66-W70 VanDerWaalsContact O-CD1 3.3Å; T66-W70 PolarHBondContact O-N 3.35Å |
| 67 | M | 83.6 | Confident | 82.9 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 47% | 0.473 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.4 | -36.5 | 172.8 | -174.1 | -178.1 | 70.2 | 0 | 0 | 112 | H69 W70 L71 L258 | M67-H69 PolarHBondContact O-N 3.1Å; M67-W70 PolarHBondContact O-N 2.95Å; M67-L71 HydrophobicContact CE-CD1 4.26Å; M67-L71 HydrophobicContact CG-CD1 3.9Å; M67-L71 HydrophobicContact CG-CG 4.32Å; M67-L71 VanDerWaalsContact O-CG 3.26Å; M67-L71 WeakPolarHBondContact O-CG 3.33Å; M67-L71 PolarHBondContact O-N 3.39Å; M67-L71 HydrophobicContact SD-CD1 4.49Å; M67-L258 HydrophobicContact CE-CB 3.93Å; M67-L258 HydrophobicContact CE-CD2 4.13Å; M67-L258 HydrophobicContact SD-CD2 4.46Å |
| 68 | Y | 86.6 | Confident | 83.2 | Confident | 48 Ų | 48 | 55 Ų | 55 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 176.4 | -172.9 | -88.2 | 0 | 0 | 0 | 112.4 | T66 W70 L71 Y72 Y202 F205 P206 S259 | T66-Y68 PolarHBondContact O-N 3.35Å; T66-Y68 VanDerWaalsContact O-N 3.15Å; T66-Y68 PolarHBondContact OG1-N 2.91Å; Y68-W70 VanDerWaalsContact C-N 3.34Å; Y68-W70 PolarHBondContact O-N 2.8Å; Y68-L71 PolarHBondContact O-N 3.03Å; Y68-Y72 WeakPolarHBondContact O-CB 3.36Å; Y68-Y72 PolarHBondContact O-N 3.22Å; Y68-Y202 AromaticContact CD1-CE2 3.98Å; Y68-Y202 HydrophobicContact CD1-CE2 3.98Å; Y68-Y202 AromaticContact CD1-CZ 3.76Å; Y68-Y202 WeakPolarHBondContact CD1-OH 3.36Å; Y68-Y202 HydrophobicContact CE1-CD1 4.5Å; Y68-Y202 HydrophobicContact CE1-CD2 4.3Å; Y68-Y202 AromaticContact CE1-CE1 3.87Å; Y68-Y202 HydrophobicContact CE1-CE1 3.87Å; Y68-Y202 AromaticContact CE1-CE2 3.62Å; Y68-Y202 HydrophobicContact CE1-CE2 3.62Å; Y68-Y202 AromaticContact CE1-CZ 3.39Å; Y68-Y202 WeakPolarHBondContact CE1-OH 3.39Å; Y68-Y202 PolarHBondContact OH-O 3.26Å; Y68-F205 HydrophobicContact CD1-CE1 4.43Å; Y68-F205 HydrophobicContact CD2-CZ 4.43Å; Y68-F205 AromaticContact CE1-CE1 3.72Å; Y68-F205 HydrophobicContact CE1-CE1 3.72Å; Y68-F205 HydrophobicContact CE1-CZ 4.38Å; Y68-F205 AromaticContact CE2-CE1 3.91Å; Y68-F205 HydrophobicContact CE2-CE1 3.91Å; Y68-F205 HydrophobicContact CE2-CZ 4.07Å; Y68-F205 AromaticContact CZ-CE1 3.44Å; Y68-F205 VanDerWaalsContact CZ-CE1 3.44Å; Y68-P206 HydrophobicContact CE2-CG 3.93Å; Y68-S259 VanDerWaalsContact CD2-O 3.29Å; Y68-S259 WeakPolarHBondContact CD2-O 3.34Å; Y68-S259 VanDerWaalsContact CE2-O 3.3Å; Y68-S259 WeakPolarHBondContact CE2-O 3.25Å |
| 69 | H | 87 | Confident | 83.6 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 12% | 0.116 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -42.3 | 177.9 | -59.2 | 169 | 0 | 0 | 0 | 111.2 | P65 T66 M67 Y72 L73 L143 Y202 | P65-H69 HydrophobicContact CB-CB 4.1Å; T66-H69 PolarHBondContact N-ND1 2.9Å; T66-H69 WeakPolarHBondContact O-CB 3.35Å; T66-H69 PolarHBondContact O-N 2.94Å; T66-H69 PolarHBondContact OG1-CD2 3.24Å; T66-H69 VanDerWaalsContact OG1-CD2 3.31Å; T66-H69 PolarHBondContact OG1-N 3.16Å; T66-H69 PolarHBondContact OG1-NE2 3.33Å; M67-H69 PolarHBondContact O-N 3.1Å; H69-Y72 PolarHBondContact O-N 3.44Å; H69-L73 WeakPolarHBondContact O-CG 3.49Å; H69-L73 PolarHBondContact O-N 2.04Å; H69-L143 HydrophobicContact CB-CD1 4.09Å; H69-L143 HydrophobicContact CB-CD2 4.11Å; H69-Y202 PolarHBondContact CD2-OH 3.09Å; H69-Y202 PolarHBondContact NE2-OH 2.69Å |
| 70 | W | 87.6 | Confident | 84.1 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 176.5 | -71.4 | 112.4 | 0 | 0 | 0 | 112.5 | P65 T66 M67 Y68 Y72 L73 N74 Y119 F122 | P65-W70 HydrophobicContact CB-CZ2 4.22Å; P65-W70 HydrophobicContact CG-CH2 4.49Å; P65-W70 HydrophobicContact CG-CZ2 3.43Å; P65-W70 VanDerWaalsContact CG-CZ2 3.43Å; P65-W70 PolarHBondContact O-NE1 3.42Å; T66-W70 VanDerWaalsContact O-CD1 3.3Å; T66-W70 PolarHBondContact O-N 3.35Å; M67-W70 PolarHBondContact O-N 2.95Å; Y68-W70 VanDerWaalsContact C-N 3.34Å; Y68-W70 PolarHBondContact O-N 2.8Å; W70-Y72 VanDerWaalsContact C-N 3.33Å; W70-Y72 PolarHBondContact O-N 2.95Å; W70-L73 HydrophobicContact CE3-CD1 4.37Å; W70-L73 HydrophobicContact CZ3-CD1 4.49Å; W70-L73 PolarHBondContact O-N 3.45Å; W70-N74 VanDerWaalsContact O-CB 3.22Å; W70-N74 WeakPolarHBondContact O-CB 3.09Å; W70-N74 PolarHBondContact O-N 3.5Å; W70-Y119 HydrophobicContact CH2-CD2 4.37Å; W70-Y119 HydrophobicContact CH2-CE2 4.45Å; W70-Y119 HydrophobicContact CZ3-CE2 4.17Å; W70-F122 HydrophobicContact CH2-CD2 4.42Å |
| 71 | L | 90.8 | Very high | 84.7 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 177.1 | -70.2 | 168.2 | 0 | 0 | 0 | 111.8 | M67 Y68 N74 F75 F205 D255 L258 S259 | M67-L71 HydrophobicContact CE-CD1 4.26Å; M67-L71 HydrophobicContact CG-CD1 3.9Å; M67-L71 HydrophobicContact CG-CG 4.32Å; M67-L71 VanDerWaalsContact O-CG 3.26Å; M67-L71 WeakPolarHBondContact O-CG 3.33Å; M67-L71 PolarHBondContact O-N 3.39Å; M67-L71 HydrophobicContact SD-CD1 4.49Å; Y68-L71 PolarHBondContact O-N 3.03Å; L71-N74 WeakPolarHBondContact O-CB 3.37Å; L71-N74 PolarHBondContact O-N 3.27Å; L71-F75 WeakPolarHBondContact O-CB 3.04Å; L71-F75 PolarHBondContact O-N 3.48Å; L71-F205 HydrophobicContact CB-CE2 4.49Å; L71-F205 HydrophobicContact CB-CZ 4.46Å; L71-D255 HydrophobicContact CD2-CB 4.16Å; L71-L258 HydrophobicContact CD1-CB 3.63Å; L71-S259 WeakPolarHBondContact CB-OG 3.1Å; L71-S259 VanDerWaalsContact CD1-OG 3.28Å; L71-S259 WeakPolarHBondContact CD1-OG 3.45Å |
| 72 | Y | 92.8 | Very high | 85.4 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 173.2 | 168 | -99.3 | 0 | 0 | 0 | 112.7 | Y68 H69 W70 N74 F75 M76 L143 P147 H194 Y202 F205 | Y68-Y72 WeakPolarHBondContact O-CB 3.36Å; Y68-Y72 PolarHBondContact O-N 3.22Å; H69-Y72 PolarHBondContact O-N 3.44Å; W70-Y72 VanDerWaalsContact C-N 3.33Å; W70-Y72 PolarHBondContact O-N 2.95Å; Y72-N74 VanDerWaalsContact C-N 3.29Å; Y72-N74 PolarHBondContact O-N 2.88Å; Y72-F75 WeakPolarHBondContact O-CB 3.4Å; Y72-F75 PolarHBondContact O-N 3.46Å; Y72-M76 HydrophobicContact CD2-CG 4.49Å; Y72-M76 HydrophobicContact CE1-CG 4.25Å; Y72-M76 HydrophobicContact CE2-CE 3.53Å; Y72-M76 HydrophobicContact CE2-CG 3.98Å; Y72-M76 PolarHBondContact O-N 2.9Å; Y72-M76 VanDerWaalsContact OH-CE 3.27Å; Y72-M76 WeakPolarHBondContact OH-CE 3.17Å; Y72-L143 HydrophobicContact CD1-CB 4.41Å; Y72-L143 HydrophobicContact CD1-CD2 4.17Å; Y72-L143 HydrophobicContact CE1-CB 4.07Å; Y72-L143 WeakPolarHBondContact CE1-O 3.12Å; Y72-L143 PolarHBondContact OH-O 2.94Å; Y72-P147 HydrophobicContact CE1-CG 4.38Å; Y72-H194 PolarHBondContact OH-CE1 2.69Å; Y72-Y202 AromaticContact CD1-CD2 3.83Å; Y72-Y202 HydrophobicContact CD1-CD2 3.83Å; Y72-Y202 HydrophobicContact CD1-CE2 4.15Å; Y72-Y202 AromaticContact CD2-CD2 3.64Å; Y72-Y202 HydrophobicContact CD2-CD2 3.64Å; Y72-Y202 HydrophobicContact CD2-CE2 4.43Å; Y72-Y202 HydrophobicContact CD2-CG 4.48Å; Y72-Y202 HydrophobicContact CE1-CD2 4.02Å; Y72-Y202 AromaticContact CE2-CD2 3.82Å; Y72-Y202 HydrophobicContact CE2-CD2 3.82Å; Y72-Y202 HydrophobicContact CE2-CG 4.4Å; Y72-Y202 AromaticContact CG-CD2 3.61Å; Y72-Y202 HydrophobicContact CG-CD2 3.61Å; Y72-Y202 AromaticContact CG-CE2 4Å; Y72-Y202 HydrophobicContact CG-CE2 4Å; Y72-Y202 AromaticContact CZ-CD2 3.99Å; Y72-F205 AromaticContact CD2-CD1 3.71Å; Y72-F205 HydrophobicContact CD2-CD1 3.71Å; Y72-F205 HydrophobicContact CD2-CE1 4.02Å; Y72-F205 HydrophobicContact CD2-CG 4.28Å; Y72-F205 HydrophobicContact CG-CD1 4.47Å; Y72-F205 HydrophobicContact CG-CE1 4.34Å |
| 73 | L | 90.7 | Very high | 86.3 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.8 | -72.2 | 175.7 | 0 | 0 | 0 | 111.4 | H69 W70 M76 A77 F122 L143 L146 | H69-L73 WeakPolarHBondContact O-CG 3.49Å; H69-L73 PolarHBondContact O-N 2.04Å; W70-L73 HydrophobicContact CE3-CD1 4.37Å; W70-L73 HydrophobicContact CZ3-CD1 4.49Å; W70-L73 PolarHBondContact O-N 3.45Å; L73-M76 PolarHBondContact O-N 3.24Å; L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.32Å; L73-F122 HydrophobicContact CD1-CE2 3.99Å; L73-F122 HydrophobicContact CD1-CZ 3.94Å; L73-L143 HydrophobicContact CD1-CD2 3.94Å; L73-L143 HydrophobicContact CD2-CD2 3.91Å; L73-L143 HydrophobicContact CG-CD2 3.77Å; L73-L146 HydrophobicContact CD1-CD1 4.18Å; L73-L146 HydrophobicContact CD2-CB 4Å; L73-L146 HydrophobicContact CD2-CD1 4.13Å |
| 74 | N | 90.3 | Very high | 87.7 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 174.4 | -165.8 | -87.7 | 0 | 0 | 0 | 111.2 | W70 L71 Y72 M76 A77 F78 | W70-N74 VanDerWaalsContact O-CB 3.22Å; W70-N74 WeakPolarHBondContact O-CB 3.09Å; W70-N74 PolarHBondContact O-N 3.5Å; L71-N74 WeakPolarHBondContact O-CB 3.37Å; L71-N74 PolarHBondContact O-N 3.27Å; Y72-N74 VanDerWaalsContact C-N 3.29Å; Y72-N74 PolarHBondContact O-N 2.88Å; N74-M76 PolarHBondContact O-N 3.19Å; N74-A77 PolarHBondContact O-N 3.48Å; N74-F78 WeakPolarHBondContact ND2-CE2 3.45Å; N74-F78 VanDerWaalsContact O-CD2 3.29Å; N74-F78 WeakPolarHBondContact O-CD2 3.34Å; N74-F78 PolarHBondContact O-N 3.03Å; N74-F78 WeakPolarHBondContact OD1-CD2 3.12Å; N74-F78 VanDerWaalsContact OD1-CE2 3.26Å; N74-F78 WeakPolarHBondContact OD1-CE2 3.48Å |
| 75 | F | 93.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.6 | -51.1 | 173.9 | 164.5 | -107.8 | 0 | 0 | 0 | 112.1 | L71 Y72 A77 F78 L79 I201 F205 L209 | L71-F75 WeakPolarHBondContact O-CB 3.04Å; L71-F75 PolarHBondContact O-N 3.48Å; Y72-F75 WeakPolarHBondContact O-CB 3.4Å; Y72-F75 PolarHBondContact O-N 3.46Å; F75-A77 VanDerWaalsContact C-N 3.33Å; F75-A77 PolarHBondContact O-N 3.33Å; F75-F78 PolarHBondContact O-N 2.92Å; F75-L79 HydrophobicContact CE2-CD1 3.78Å; F75-L79 HydrophobicContact CZ-CD1 3.88Å; F75-L79 WeakPolarHBondContact O-CB 3.35Å; F75-L79 PolarHBondContact O-N 2.87Å; F75-I201 HydrophobicContact CE1-CG2 3.85Å; F75-F205 HydrophobicContact CB-CD2 4.09Å; F75-F205 HydrophobicContact CD1-CB 3.71Å; F75-F205 HydrophobicContact CD1-CD2 4.23Å; F75-F205 HydrophobicContact CD1-CG 4.11Å; F75-F205 HydrophobicContact CE1-CB 3.67Å; F75-F205 HydrophobicContact CG-CB 4.24Å; F75-F205 HydrophobicContact CG-CD2 4.07Å; F75-F205 HydrophobicContact CG-CG 4.41Å; F75-F205 HydrophobicContact CZ-CB 4.16Å; F75-L209 HydrophobicContact CB-CD1 4.37Å; F75-L209 HydrophobicContact CD2-CD1 3.94Å; F75-L209 HydrophobicContact CD2-CD2 3.53Å; F75-L209 HydrophobicContact CD2-CG 3.81Å; F75-L209 HydrophobicContact CE2-CD2 3.69Å; F75-L209 HydrophobicContact CE2-CG 4.08Å; F75-L209 HydrophobicContact CG-CD1 4.41Å |
| 76 | M | 93.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 179 | -72.4 | -61.9 | -165.8 | 0 | 0 | 112.4 | Y72 L73 N74 P80 P147 Y151 I201 | Y72-M76 HydrophobicContact CD2-CG 4.49Å; Y72-M76 HydrophobicContact CE1-CG 4.25Å; Y72-M76 HydrophobicContact CE2-CE 3.53Å; Y72-M76 HydrophobicContact CE2-CG 3.98Å; Y72-M76 PolarHBondContact O-N 2.9Å; Y72-M76 VanDerWaalsContact OH-CE 3.27Å; Y72-M76 WeakPolarHBondContact OH-CE 3.17Å; L73-M76 PolarHBondContact O-N 3.24Å; N74-M76 PolarHBondContact O-N 3.19Å; M76-P80 WeakPolarHBondContact O-CD 3.4Å; M76-P147 HydrophobicContact CB-CB 4.28Å; M76-P147 HydrophobicContact CB-CG 4.21Å; M76-P147 HydrophobicContact CG-CB 4.34Å; M76-P147 HydrophobicContact CG-CG 4.05Å; M76-Y151 WeakPolarHBondContact O-CE1 3.38Å; M76-Y151 PolarHBondContact O-OH 3.18Å; M76-Y151 PolarHBondContact SD-OH 3.32Å; M76-I201 HydrophobicContact CE-CB 4.03Å; M76-I201 HydrophobicContact CE-CD1 4.26Å; M76-I201 HydrophobicContact CE-CG2 3.32Å |
| 77 | A | 90.8 | Very high | 89.9 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L73 N74 F75 P80 Y150 | L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.32Å; N74-A77 PolarHBondContact O-N 3.48Å; F75-A77 VanDerWaalsContact C-N 3.33Å; F75-A77 PolarHBondContact O-N 3.33Å; A77-P80 WeakPolarHBondContact O-CD 3.38Å; A77-Y150 VanDerWaalsContact CA-CE1 3.5Å; A77-Y150 HydrophobicContact CB-CD1 4.45Å; A77-Y150 HydrophobicContact CB-CD2 4.39Å; A77-Y150 HydrophobicContact CB-CE1 4.06Å; A77-Y150 HydrophobicContact CB-CE2 3.96Å; A77-Y150 VanDerWaalsContact O-CE1 3.29Å; A77-Y150 WeakPolarHBondContact O-CE1 3.34Å; A77-Y150 PolarHBondContact O-OH 2.77Å |
| 78 | F | 90.5 | Very high | 90.1 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 36% | 0.355 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -82.1 | -16.2 | -178.9 | -76.7 | -63 | 0 | 0 | 0 | 114.5 | N74 F75 F81 L82 | N74-F78 WeakPolarHBondContact ND2-CE2 3.45Å; N74-F78 VanDerWaalsContact O-CD2 3.29Å; N74-F78 WeakPolarHBondContact O-CD2 3.34Å; N74-F78 PolarHBondContact O-N 3.03Å; N74-F78 WeakPolarHBondContact OD1-CD2 3.12Å; N74-F78 VanDerWaalsContact OD1-CE2 3.26Å; N74-F78 WeakPolarHBondContact OD1-CE2 3.48Å; F75-F78 PolarHBondContact O-N 2.92Å; F78-F81 HydrophobicContact CD1-CB 4.48Å; F78-F81 HydrophobicContact CD1-CD1 4.1Å; F78-F81 WeakPolarHBondContact O-CB 3.34Å; F78-F81 PolarHBondContact O-N 2.95Å; F78-F81 VanDerWaalsContact O-N 3.12Å; F78-L82 WeakPolarHBondContact O-CG 3.5Å; F78-L82 PolarHBondContact O-N 2.87Å |
| 79 | L | 92 | Very high | 90 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 27% | 0.272 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54.3 | -48.8 | -178.3 | -168.2 | 86.4 | 0 | 0 | 0 | 113.2 | F75 F81 L82 H83 L190 | F75-L79 HydrophobicContact CE2-CD1 3.78Å; F75-L79 HydrophobicContact CZ-CD1 3.88Å; F75-L79 WeakPolarHBondContact O-CB 3.35Å; F75-L79 PolarHBondContact O-N 2.87Å; L79-F81 PolarHBondContact O-N 3.21Å; L79-L82 PolarHBondContact O-N 2.99Å; L79-H83 WeakPolarHBondContact O-CB 3.45Å; L79-H83 PolarHBondContact O-N 3.18Å; L79-L190 HydrophobicContact CD2-CD1 4.04Å; L79-L190 HydrophobicContact CD2-CD2 3.43Å; L79-L190 VanDerWaalsContact CD2-CD2 3.43Å; L79-L190 HydrophobicContact CD2-CG 4.37Å |
| 80 | P | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.7 | -17.2 | 31.7 | 0 | 0 | 0 | 112.3 | M76 A77 H83 H84 Y151 L186 Y187 L190 | M76-P80 WeakPolarHBondContact O-CD 3.4Å; A77-P80 WeakPolarHBondContact O-CD 3.38Å; P80-H83 PolarHBondContact O-N 2.82Å; P80-H84 WeakPolarHBondContact O-CB 3.33Å; P80-H84 PolarHBondContact O-CD2 2.81Å; P80-H84 PolarHBondContact O-N 3.21Å; P80-Y151 HydrophobicContact CG-CD1 3.93Å; P80-Y151 HydrophobicContact CG-CE1 3.55Å; P80-L186 HydrophobicContact CB-CD2 4.27Å; P80-Y187 HydrophobicContact CB-CE1 3.92Å; P80-Y187 HydrophobicContact CG-CE1 3.99Å; P80-L190 HydrophobicContact CB-CD1 4.44Å; P80-L190 HydrophobicContact CG-CD1 3.91Å |
| 81 | F | 90.7 | Very high | 89.7 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 20% | 0.202 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 178 | 172.7 | -101.6 | 0 | 0 | 0 | 111.7 | F78 L79 H84 C85 S105 A106 | F78-F81 HydrophobicContact CD1-CB 4.48Å; F78-F81 HydrophobicContact CD1-CD1 4.1Å; F78-F81 WeakPolarHBondContact O-CB 3.34Å; F78-F81 PolarHBondContact O-N 2.95Å; F78-F81 VanDerWaalsContact O-N 3.12Å; L79-F81 PolarHBondContact O-N 3.21Å; F81-H84 PolarHBondContact O-N 3.29Å; F81-C85 WeakPolarHBondContact CZ-SG 3.46Å; F81-C85 PolarHBondContact O-N 3.35Å; F81-C85 PolarHBondContact O-SG 3.3Å; F81-S105 WeakPolarHBondContact CD2-OG 2.96Å; F81-S105 WeakPolarHBondContact CE2-OG 3.42Å; F81-A106 HydrophobicContact CE2-CB 3.99Å |
| 82 | L | 89.2 | Confident | 89.5 | Confident | 66 Ų | 66 | 42.6 Ų | 42.6 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 177.4 | -70.8 | 176.1 | 0 | 0 | 0 | 111.4 | F78 L79 H84 C85 A86 | F78-L82 WeakPolarHBondContact O-CG 3.5Å; F78-L82 PolarHBondContact O-N 2.87Å; L79-L82 PolarHBondContact O-N 2.99Å; L82-H84 VanDerWaalsContact C-N 3.3Å; L82-H84 PolarHBondContact O-N 3.21Å; L82-C85 PolarHBondContact O-N 2.88Å; L82-A86 WeakPolarHBondContact O-CB 3.4Å; L82-A86 PolarHBondContact O-N 3.43Å |
| 83 | H | 90.8 | Very high | 89 | Confident | 80 Ų | 80 | 48 Ų | 48 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 174.7 | -177 | -82.5 | 0 | 0 | 0 | 111.4 | L79 P80 A86 F87 L186 | L79-H83 WeakPolarHBondContact O-CB 3.45Å; L79-H83 PolarHBondContact O-N 3.18Å; P80-H83 PolarHBondContact O-N 2.82Å; H83-A86 PolarHBondContact O-N 2.84Å; H83-F87 VanDerWaalsContact O-CB 3.27Å; H83-F87 WeakPolarHBondContact O-CB 3.36Å; H83-F87 PolarHBondContact O-N 3.07Å; H83-L186 HydrophobicContact CB-CD1 4.44Å; H83-L186 HydrophobicContact CB-CD2 3.91Å; H83-L186 WeakPolarHBondContact ND1-CD2 3.22Å |
| 84 | H | 90.5 | Very high | 88.7 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.5 | -82.7 | -45.2 | 0 | 0 | 0 | 113.5 | P80 F81 L82 A86 F87 A88 R162 A183 Y187 | P80-H84 WeakPolarHBondContact O-CB 3.33Å; P80-H84 PolarHBondContact O-CD2 2.81Å; P80-H84 PolarHBondContact O-N 3.21Å; F81-H84 PolarHBondContact O-N 3.29Å; L82-H84 VanDerWaalsContact C-N 3.3Å; L82-H84 PolarHBondContact O-N 3.21Å; H84-A86 VanDerWaalsContact C-N 3.35Å; H84-F87 PolarHBondContact O-N 3.25Å; H84-A88 VanDerWaalsContact O-CB 3.27Å; H84-A88 WeakPolarHBondContact O-CB 3.1Å; H84-A88 PolarHBondContact O-N 2.79Å; H84-R162 PolarHBondContact NE2-NH2 3.37Å; H84-A183 VanDerWaalsContact CE1-CA 3.44Å; H84-A183 WeakPolarHBondContact CE1-CA 3.24Å; H84-A183 WeakPolarHBondContact CE1-CB 3.33Å; H84-Y187 AromaticContact NE2-CE2 3.89Å |
| 85 | C | 88.6 | Confident | 88.6 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | F81 L82 A89 | F81-C85 WeakPolarHBondContact CZ-SG 3.46Å; F81-C85 PolarHBondContact O-N 3.35Å; F81-C85 PolarHBondContact O-SG 3.3Å; L82-C85 PolarHBondContact O-N 2.88Å; C85-A89 WeakPolarHBondContact O-CB 3.23Å; C85-A89 PolarHBondContact O-N 3.02Å |
| 86 | A | 86.8 | Confident | 88.2 | Confident | 46 Ų | 46 | 63 Ų | 63 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L82 H83 H84 A88 A89 M90 | L82-A86 WeakPolarHBondContact O-CB 3.4Å; L82-A86 PolarHBondContact O-N 3.43Å; H83-A86 PolarHBondContact O-N 2.84Å; H84-A86 VanDerWaalsContact C-N 3.35Å; A86-A88 PolarHBondContact O-N 3.18Å; A86-A89 PolarHBondContact O-N 3.34Å; A86-M90 HydrophobicContact CB-CE 4.17Å; A86-M90 WeakPolarHBondContact O-CE 3.25Å; A86-M90 WeakPolarHBondContact O-CG 3.47Å; A86-M90 PolarHBondContact O-N 2.8Å |
| 87 | F | 89.2 | Confident | 88 | Confident | 43 Ų | 43 | 63 Ų | 63 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 178.8 | -172.7 | -88 | 0 | 0 | 0 | 111.7 | H83 H84 A89 M90 T91 D178 A179 A182 | H83-F87 VanDerWaalsContact O-CB 3.27Å; H83-F87 WeakPolarHBondContact O-CB 3.36Å; H83-F87 PolarHBondContact O-N 3.07Å; H84-F87 PolarHBondContact O-N 3.25Å; F87-A89 VanDerWaalsContact C-N 3.33Å; F87-A89 PolarHBondContact O-N 2.89Å; F87-M90 PolarHBondContact O-N 3.12Å; F87-T91 HydrophobicContact CD1-CG2 4.2Å; F87-T91 HydrophobicContact CD2-CG2 4.15Å; F87-T91 HydrophobicContact CE1-CG2 3.82Å; F87-T91 WeakPolarHBondContact CE1-OG1 3.28Å; F87-T91 HydrophobicContact CE2-CG2 3.79Å; F87-T91 HydrophobicContact CG-CG2 4.35Å; F87-T91 HydrophobicContact CZ-CG2 3.62Å; F87-T91 WeakPolarHBondContact O-CB 3.29Å; F87-T91 PolarHBondContact O-N 2.96Å; F87-T91 PolarHBondContact O-OG1 3.48Å; F87-D178 HydrophobicContact CE1-CB 4.47Å; F87-D178 HydrophobicContact CZ-CB 4.39Å; F87-A179 HydrophobicContact CD1-CB 3.95Å; F87-A179 VanDerWaalsContact CE1-CA 3.42Å; F87-A179 HydrophobicContact CE1-CB 3.79Å; F87-A182 HydrophobicContact CD1-CB 4.23Å; F87-A182 HydrophobicContact CD2-CB 4.05Å; F87-A182 HydrophobicContact CE1-CB 3.88Å; F87-A182 HydrophobicContact CE2-CB 3.65Å; F87-A182 HydrophobicContact CG-CB 4.31Å; F87-A182 HydrophobicContact CZ-CB 3.55Å |
| 88 | A | 87.8 | Confident | 87.9 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H84 A86 M90 M92 I98 Q101 | H84-A88 VanDerWaalsContact O-CB 3.27Å; H84-A88 WeakPolarHBondContact O-CB 3.1Å; H84-A88 PolarHBondContact O-N 2.79Å; A86-A88 PolarHBondContact O-N 3.18Å; A88-M90 VanDerWaalsContact C-N 3.34Å; A88-M90 PolarHBondContact O-N 3.24Å; A88-M92 HydrophobicContact CB-SD 3.98Å; A88-M92 WeakPolarHBondContact O-CB 3.22Å; A88-M92 PolarHBondContact O-N 3.09Å; A88-I98 HydrophobicContact CB-CG2 4.35Å; A88-Q101 HydrophobicContact CB-CB 4.37Å |
| 89 | A | 84.3 | Confident | 87.9 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -32.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C85 A86 F87 | C85-A89 WeakPolarHBondContact O-CB 3.23Å; C85-A89 PolarHBondContact O-N 3.02Å; A86-A89 PolarHBondContact O-N 3.34Å; F87-A89 VanDerWaalsContact C-N 3.33Å; F87-A89 PolarHBondContact O-N 2.89Å |
| 90 | M | 85 | Confident | 87.8 | Confident | 150 Ų | 150 | 59.1 Ų | 59.1 | 74% | 0.739 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -85.7 | -33.3 | -177.8 | -69.6 | -174.5 | -68.6 | 0 | 0 | 113.8 | A86 F87 A88 | A86-M90 HydrophobicContact CB-CE 4.17Å; A86-M90 WeakPolarHBondContact O-CE 3.25Å; A86-M90 WeakPolarHBondContact O-CG 3.47Å; A86-M90 PolarHBondContact O-N 2.8Å; F87-M90 PolarHBondContact O-N 3.12Å; A88-M90 VanDerWaalsContact C-N 3.34Å; A88-M90 PolarHBondContact O-N 3.24Å |
| 91 | T | 84.6 | Confident | 87.7 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -100.2 | -29.5 | -170.7 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | F87 | F87-T91 HydrophobicContact CD1-CG2 4.2Å; F87-T91 HydrophobicContact CD2-CG2 4.15Å; F87-T91 HydrophobicContact CE1-CG2 3.82Å; F87-T91 WeakPolarHBondContact CE1-OG1 3.28Å; F87-T91 HydrophobicContact CE2-CG2 3.79Å; F87-T91 HydrophobicContact CG-CG2 4.35Å; F87-T91 HydrophobicContact CZ-CG2 3.62Å; F87-T91 WeakPolarHBondContact O-CB 3.29Å; F87-T91 PolarHBondContact O-N 2.96Å; F87-T91 PolarHBondContact O-OG1 3.48Å |
| 92 | M | 85.4 | Confident | 87.7 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | trans | -98.5 | 139.2 | -174.1 | -59.3 | 168.7 | 175.1 | 0 | 0 | 111.1 | A88 V97 I98 Q101 V176 A179 | A88-M92 HydrophobicContact CB-SD 3.98Å; A88-M92 WeakPolarHBondContact O-CB 3.22Å; A88-M92 PolarHBondContact O-N 3.09Å; M92-V97 HydrophobicContact CE-CG1 4.37Å; M92-V97 HydrophobicContact CG-CG1 4.42Å; M92-V97 HydrophobicContact SD-CG1 3.79Å; M92-I98 HydrophobicContact CB-CD1 4.4Å; M92-I98 HydrophobicContact CB-CG1 3.62Å; M92-I98 WeakPolarHBondContact O-CD1 3.46Å; M92-I98 HydrophobicContact SD-CG1 4.44Å; M92-Q101 HydrophobicContact CE-CB 4.42Å; M92-Q101 HydrophobicContact CE-CG 3.61Å; M92-Q101 HydrophobicContact SD-CB 4.38Å; M92-Q101 HydrophobicContact SD-CG 3.87Å; M92-V176 HydrophobicContact CE-CG1 4.42Å; M92-A179 HydrophobicContact CE-CB 3.21Å | ||
| 93 | S | 81.8 | Confident | 87.9 | Confident | 116 Ų | 116 | 60.6 Ų | 60.6 | 81% | 0.811 | 33% | 0.33 | S | S | * | . | trans | -95.4 | -29.3 | 179.4 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 94 | R | 86.1 | Confident | 87.9 | Confident | 137 Ų | 137 | 56.8 Ų | 56.8 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | trans | -88.4 | 116.1 | -175 | -66.8 | -177.6 | -176 | 154.7 | 10 | 110.8 | H96 V97 I98 D175 | R94-H96 VanDerWaalsContact C-N 3.26Å; R94-H96 PolarHBondContact O-N 3.38Å; R94-V97 HydrophobicContact CB-CB 4.09Å; R94-V97 HydrophobicContact CB-CG2 3.69Å; R94-V97 WeakPolarHBondContact O-CA 3.25Å; R94-V97 WeakPolarHBondContact O-CB 3.34Å; R94-V97 PolarHBondContact O-N 2.84Å; R94-I98 PolarHBondContact O-N 3.21Å; R94-D175 IonicContact CZ-OD1 3.79Å; R94-D175 IonicContact CZ-OD2 3.89Å; R94-D175 VanDerWaalsContact NH1-CG 3.31Å; R94-D175 IonicContact NH1-OD1 3.2Å; R94-D175 PolarHBondContact NH1-OD1 3.27Å; R94-D175 IonicContact NH1-OD2 2.75Å; R94-D175 PolarHBondContact NH1-OD2 2.97Å | ||
| 95 | K | 86.4 | Confident | 88 | Confident | 184 Ų | 184 | 56.5 Ų | 56.5 | 80% | 0.8 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -51.5 | -40.9 | 178.7 | -66.3 | -175.3 | 179.6 | -179.6 | 0 | 114.1 | V97 I98 G99 | K95-V97 VanDerWaalsContact C-N 3.34Å; K95-I98 PolarHBondContact O-N 3.14Å; K95-G99 PolarHBondContact O-N 3.29Å |
| 96 | H | 86.9 | Confident | 88.1 | Confident | 99 Ų | 99 | 56.6 Ų | 56.6 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.2 | 161.9 | -102.3 | 0 | 0 | 0 | 112.3 | R94 G99 S100 F169 V171 | R94-H96 VanDerWaalsContact C-N 3.26Å; R94-H96 PolarHBondContact O-N 3.38Å; H96-G99 PolarHBondContact O-N 3.45Å; H96-S100 PolarHBondContact O-N 3.37Å; H96-F169 PolarHBondContact CE1-O 3.29Å; H96-F169 AromaticContact NE2-CD1 3.71Å; H96-F169 PolarHBondContact NE2-O 2.92Å; H96-V171 WeakPolarHBondContact CE1-CG2 3.34Å |
| 97 | V | 88.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | M92 R94 K95 G99 S100 Q101 V171 D175 V176 | M92-V97 HydrophobicContact CE-CG1 4.37Å; M92-V97 HydrophobicContact CG-CG1 4.42Å; M92-V97 HydrophobicContact SD-CG1 3.79Å; R94-V97 HydrophobicContact CB-CB 4.09Å; R94-V97 HydrophobicContact CB-CG2 3.69Å; R94-V97 WeakPolarHBondContact O-CA 3.25Å; R94-V97 WeakPolarHBondContact O-CB 3.34Å; R94-V97 PolarHBondContact O-N 2.84Å; K95-V97 VanDerWaalsContact C-N 3.34Å; V97-G99 VanDerWaalsContact C-N 3.33Å; V97-G99 PolarHBondContact O-N 2.92Å; V97-S100 PolarHBondContact O-N 3.34Å; V97-S100 PolarHBondContact O-OG 3.36Å; V97-Q101 WeakPolarHBondContact O-CG 3.34Å; V97-Q101 PolarHBondContact O-N 3.48Å; V97-V171 HydrophobicContact CG1-CG1 4.13Å; V97-V171 HydrophobicContact CG2-CG1 4.13Å; V97-D175 HydrophobicContact CG1-CB 4.45Å; V97-D175 HydrophobicContact CG2-CB 4.4Å; V97-V176 HydrophobicContact CG1-CG1 3.51Å |
| 98 | I | 89.1 | Confident | 88.5 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 18% | 0.179 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53 | -51.3 | 174.3 | -61.9 | 168.3 | 0 | 0 | 0 | 110.6 | A88 M92 R94 K95 S100 Q101 I102 | A88-I98 HydrophobicContact CB-CG2 4.35Å; M92-I98 HydrophobicContact CB-CD1 4.4Å; M92-I98 HydrophobicContact CB-CG1 3.62Å; M92-I98 WeakPolarHBondContact O-CD1 3.46Å; M92-I98 HydrophobicContact SD-CG1 4.44Å; R94-I98 PolarHBondContact O-N 3.21Å; K95-I98 PolarHBondContact O-N 3.14Å; I98-S100 VanDerWaalsContact C-N 3.35Å; I98-S100 PolarHBondContact O-N 2.8Å; I98-Q101 PolarHBondContact O-N 2.93Å; I98-I102 HydrophobicContact CG2-CD1 3.71Å; I98-I102 HydrophobicContact CG2-CG1 4.38Å; I98-I102 WeakPolarHBondContact O-CG1 3.3Å; I98-I102 PolarHBondContact O-N 3.06Å |
| 99 | G | 89.5 | Confident | 88.5 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K95 H96 V97 Q101 I102 L103 | K95-G99 PolarHBondContact O-N 3.29Å; H96-G99 PolarHBondContact O-N 3.45Å; V97-G99 VanDerWaalsContact C-N 3.33Å; V97-G99 PolarHBondContact O-N 2.92Å; G99-Q101 VanDerWaalsContact C-N 3.32Å; G99-Q101 PolarHBondContact O-N 2.87Å; G99-I102 PolarHBondContact O-N 3Å; G99-L103 WeakPolarHBondContact O-CB 3.32Å; G99-L103 PolarHBondContact O-N 3.19Å |
| 100 | S | 89.4 | Confident | 88.8 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -38.8 | 176.3 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | H96 V97 I98 L103 A104 V165 | H96-S100 PolarHBondContact O-N 3.37Å; V97-S100 PolarHBondContact O-N 3.34Å; V97-S100 PolarHBondContact O-OG 3.36Å; I98-S100 VanDerWaalsContact C-N 3.35Å; I98-S100 PolarHBondContact O-N 2.8Å; S100-L103 PolarHBondContact O-N 3.25Å; S100-A104 WeakPolarHBondContact O-CB 3.49Å; S100-A104 PolarHBondContact O-N 3.08Å; S100-V165 WeakPolarHBondContact O-CG1 3.36Å |
| 101 | Q | 91 | Very high | 88.9 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75.3 | -37.6 | -178.8 | -65 | -56 | -59.1 | 0 | 0 | 112.5 | A88 M92 V97 I98 G99 L103 A104 S105 V176 | A88-Q101 HydrophobicContact CB-CB 4.37Å; M92-Q101 HydrophobicContact CE-CB 4.42Å; M92-Q101 HydrophobicContact CE-CG 3.61Å; M92-Q101 HydrophobicContact SD-CB 4.38Å; M92-Q101 HydrophobicContact SD-CG 3.87Å; V97-Q101 WeakPolarHBondContact O-CG 3.34Å; V97-Q101 PolarHBondContact O-N 3.48Å; I98-Q101 PolarHBondContact O-N 2.93Å; G99-Q101 VanDerWaalsContact C-N 3.32Å; G99-Q101 PolarHBondContact O-N 2.87Å; Q101-L103 VanDerWaalsContact C-N 3.28Å; Q101-A104 PolarHBondContact O-N 3.1Å; Q101-S105 PolarHBondContact O-N 3.4Å; Q101-S105 PolarHBondContact O-OG 2.94Å; Q101-V176 HydrophobicContact CG-CG1 4.24Å |
| 102 | I | 91.2 | Very high | 89.1 | Confident | 61 Ų | 61 | 54 Ų | 54 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 172 | -66.8 | 173.2 | 0 | 0 | 0 | 110.4 | I98 G99 S105 A106 | I98-I102 HydrophobicContact CG2-CD1 3.71Å; I98-I102 HydrophobicContact CG2-CG1 4.38Å; I98-I102 WeakPolarHBondContact O-CG1 3.3Å; I98-I102 PolarHBondContact O-N 3.06Å; G99-I102 PolarHBondContact O-N 3Å; I102-S105 WeakPolarHBondContact CA-OG 3.41Å; I102-S105 PolarHBondContact O-OG 3.45Å; I102-A106 WeakPolarHBondContact O-CB 3.31Å; I102-A106 PolarHBondContact O-N 3.45Å |
| 103 | L | 91.7 | Very high | 88.7 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 175.9 | -179.1 | 61.8 | 0 | 0 | 0 | 111.6 | G99 S100 Q101 A106 I107 F169 | G99-L103 WeakPolarHBondContact O-CB 3.32Å; G99-L103 PolarHBondContact O-N 3.19Å; S100-L103 PolarHBondContact O-N 3.25Å; Q101-L103 VanDerWaalsContact C-N 3.28Å; L103-A106 PolarHBondContact O-N 3.25Å; L103-I107 HydrophobicContact CD1-CD1 4.25Å; L103-I107 HydrophobicContact CD1-CG1 4.44Å; L103-I107 HydrophobicContact CG-CD1 4.06Å; L103-I107 WeakPolarHBondContact O-CG1 3.42Å; L103-I107 PolarHBondContact O-N 3.01Å; L103-F169 HydrophobicContact CD2-CE2 3.74Å; L103-F169 HydrophobicContact CD2-CZ 3.59Å |
| 104 | A | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S100 Q101 A106 I107 E108 V161 V165 | S100-A104 WeakPolarHBondContact O-CB 3.49Å; S100-A104 PolarHBondContact O-N 3.08Å; Q101-A104 PolarHBondContact O-N 3.1Å; A104-A106 VanDerWaalsContact C-N 3.31Å; A104-A106 PolarHBondContact O-N 3.05Å; A104-I107 PolarHBondContact O-N 3.19Å; A104-E108 WeakPolarHBondContact O-CB 3.39Å; A104-E108 VanDerWaalsContact O-CG 3.28Å; A104-E108 WeakPolarHBondContact O-CG 3.13Å; A104-E108 PolarHBondContact O-N 3.19Å; A104-V161 HydrophobicContact CB-CG1 4.14Å; A104-V165 HydrophobicContact CB-CB 4.29Å; A104-V165 HydrophobicContact CB-CG1 4.26Å; A104-V165 HydrophobicContact CB-CG2 3.97Å |
| 105 | S | 91.9 | Very high | 86.5 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -33.2 | 178.8 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | F81 Q101 I102 C109 | F81-S105 WeakPolarHBondContact CD2-OG 2.96Å; F81-S105 WeakPolarHBondContact CE2-OG 3.42Å; Q101-S105 PolarHBondContact O-N 3.4Å; Q101-S105 PolarHBondContact O-OG 2.94Å; I102-S105 WeakPolarHBondContact CA-OG 3.41Å; I102-S105 PolarHBondContact O-OG 3.45Å; S105-C109 VanDerWaalsContact O-CB 3.24Å; S105-C109 WeakPolarHBondContact O-CB 3.46Å; S105-C109 PolarHBondContact O-N 3.45Å |
| 106 | A | 91.4 | Very high | 85.4 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F81 I102 L103 A104 C109 I110 | F81-A106 HydrophobicContact CE2-CB 3.99Å; I102-A106 WeakPolarHBondContact O-CB 3.31Å; I102-A106 PolarHBondContact O-N 3.45Å; L103-A106 PolarHBondContact O-N 3.25Å; A104-A106 VanDerWaalsContact C-N 3.31Å; A104-A106 PolarHBondContact O-N 3.05Å; A106-C109 WeakPolarHBondContact O-CB 3.32Å; A106-C109 PolarHBondContact O-N 3.47Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.3Å; A106-I110 PolarHBondContact O-N 3.34Å |
| 107 | I | 92 | Very high | 84.1 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 176.2 | -67 | 166.4 | 0 | 0 | 0 | 110.4 | L103 A104 C109 I110 L111 V161 | L103-I107 HydrophobicContact CD1-CD1 4.25Å; L103-I107 HydrophobicContact CD1-CG1 4.44Å; L103-I107 HydrophobicContact CG-CD1 4.06Å; L103-I107 WeakPolarHBondContact O-CG1 3.42Å; L103-I107 PolarHBondContact O-N 3.01Å; A104-I107 PolarHBondContact O-N 3.19Å; I107-C109 VanDerWaalsContact C-N 3.32Å; I107-C109 PolarHBondContact O-N 2.8Å; I107-I110 PolarHBondContact O-N 3.5Å; I107-L111 HydrophobicContact CG2-CD1 3.73Å; I107-L111 HydrophobicContact CG2-CG 4.19Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.21Å; I107-L111 PolarHBondContact O-N 2.87Å; I107-V161 HydrophobicContact CB-CG1 4.03Å; I107-V161 HydrophobicContact CG2-CG1 3.88Å; I107-V161 HydrophobicContact CG2-CG2 3.87Å |
| 108 | E | 91.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 174.2 | -72.5 | 164 | -169.8 | 0 | 0 | 111 | A104 I110 L111 A112 A157 M158 V161 R162 | A104-E108 WeakPolarHBondContact O-CB 3.39Å; A104-E108 VanDerWaalsContact O-CG 3.28Å; A104-E108 WeakPolarHBondContact O-CG 3.13Å; A104-E108 PolarHBondContact O-N 3.19Å; E108-I110 VanDerWaalsContact C-N 3.33Å; E108-I110 PolarHBondContact O-N 3.31Å; E108-L111 PolarHBondContact O-N 3.41Å; E108-A112 VanDerWaalsContact O-CB 3.29Å; E108-A112 WeakPolarHBondContact O-CB 3.17Å; E108-A112 PolarHBondContact O-N 3.48Å; E108-A157 HydrophobicContact CG-CB 4.34Å; E108-M158 WeakPolarHBondContact OE1-CA 3.16Å; E108-V161 HydrophobicContact CG-CB 4.03Å; E108-V161 HydrophobicContact CG-CG1 4.11Å; E108-V161 HydrophobicContact CG-CG2 4.3Å; E108-R162 WeakPolarHBondContact OE1-CG 3.29Å; E108-R162 IonicContact OE1-CZ 3.65Å; E108-R162 IonicContact OE1-NE 3.62Å; E108-R162 PolarHBondContact OE1-NE 3.03Å; E108-R162 IonicContact OE1-NH2 2.86Å; E108-R162 PolarHBondContact OE1-NH2 3.01Å; E108-R162 IonicContact OE2-CZ 3.91Å; E108-R162 IonicContact OE2-NE 3.5Å; E108-R162 IonicContact OE2-NH2 2.8Å; E108-R162 PolarHBondContact OE2-NH2 2.87Å |
| 109 | C | 89.4 | Confident | 81.6 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | S105 A106 I107 G113 Y150 | S105-C109 VanDerWaalsContact O-CB 3.24Å; S105-C109 WeakPolarHBondContact O-CB 3.46Å; S105-C109 PolarHBondContact O-N 3.45Å; A106-C109 WeakPolarHBondContact O-CB 3.32Å; A106-C109 PolarHBondContact O-N 3.47Å; I107-C109 VanDerWaalsContact C-N 3.32Å; I107-C109 PolarHBondContact O-N 2.8Å; C109-G113 PolarHBondContact O-N 3.38Å; C109-Y150 WeakPolarHBondContact CA-OH 3.32Å; C109-Y150 PolarHBondContact SG-OH 3.09Å |
| 110 | I | 88.6 | Confident | 80.2 | Confident | 131 Ų | 131 | 52.8 Ų | 52.8 | 67% | 0.672 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.5 | -42.5 | 178.9 | -68.4 | 165 | 0 | 0 | 0 | 110.8 | A106 I107 E108 G113 | A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.3Å; A106-I110 PolarHBondContact O-N 3.34Å; I107-I110 PolarHBondContact O-N 3.5Å; E108-I110 VanDerWaalsContact C-N 3.33Å; E108-I110 PolarHBondContact O-N 3.31Å; I110-G113 WeakPolarHBondContact O-CA 3Å; I110-G113 PolarHBondContact O-N 3.44Å; I110-G113 VanDerWaalsContact O-N 3.12Å |
| 111 | L | 89.1 | Confident | 79 | Confident | 107 Ų | 107 | 54 Ų | 54 | 56% | 0.56 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.8 | -34.2 | -179.9 | -72.3 | 175.5 | 0 | 0 | 0 | 113 | I107 E108 A157 V161 | I107-L111 HydrophobicContact CG2-CD1 3.73Å; I107-L111 HydrophobicContact CG2-CG 4.19Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.21Å; I107-L111 PolarHBondContact O-N 2.87Å; E108-L111 PolarHBondContact O-N 3.41Å; L111-A157 HydrophobicContact CB-CB 4.33Å; L111-A157 HydrophobicContact CD1-CB 4.45Å; L111-V161 HydrophobicContact CD1-CG2 3.71Å |
| 112 | A | 87 | Confident | 77.8 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -75.3 | -15.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E108 P114 Y150 L153 S154 | E108-A112 VanDerWaalsContact O-CB 3.29Å; E108-A112 WeakPolarHBondContact O-CB 3.17Å; E108-A112 PolarHBondContact O-N 3.48Å; A112-P114 WeakPolarHBondContact O-CD 3.32Å; A112-Y150 HydrophobicContact CB-CD2 3.81Å; A112-Y150 HydrophobicContact CB-CE2 3.54Å; A112-Y150 HydrophobicContact CB-CG 4.5Å; A112-Y150 VanDerWaalsContact O-CD2 3.32Å; A112-Y150 WeakPolarHBondContact O-CD2 3.27Å; A112-L153 HydrophobicContact CB-CB 4.03Å; A112-S154 WeakPolarHBondContact CB-OG 3.24Å |
| 113 | G | 78.3 | Confident | 76.7 | Confident | 34 Ų | 34 | 58 Ų | 58 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -54.3 | 123.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | C109 I110 | C109-G113 PolarHBondContact O-N 3.38Å; I110-G113 WeakPolarHBondContact O-CA 3Å; I110-G113 PolarHBondContact O-N 3.44Å; I110-G113 VanDerWaalsContact O-N 3.12Å |
| 114 | P | 63.2 | Low | 75.9 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 136.3 | -176.2 | 18 | -24.3 | 0 | 0 | 0 | 111.8 | A112 W118 Y119 | A112-P114 WeakPolarHBondContact O-CD 3.32Å; P114-W118 HydrophobicContact CB-CB 4Å; P114-W118 HydrophobicContact CB-CG 4.28Å; P114-Y119 HydrophobicContact CB-CD2 4.3Å; P114-Y119 HydrophobicContact CB-CE1 4.46Å; P114-Y119 HydrophobicContact CB-CE2 3.84Å; P114-Y119 HydrophobicContact CG-CD2 4.09Å; P114-Y119 HydrophobicContact CG-CE1 3.95Å; P114-Y119 HydrophobicContact CG-CE2 3.17Å; P114-Y119 WeakPolarHBondContact CG-OH 3.3Å |
| 115 | A | 59.1 | Low | 75.1 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 142.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D117 W118 | A115-D117 PolarHBondContact O-N 2.96Å; A115-W118 VanDerWaalsContact O-CD1 3.29Å; A115-W118 PolarHBondContact O-N 2.88Å |
| 116 | T | 62 | Low | 74.5 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 70% | 0.699 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -48.4 | -27.8 | 177.5 | 45.6 | 0 | 0 | 0 | 0 | 113.2 | W118 Y119 | T116-W118 VanDerWaalsContact C-N 3.32Å; T116-W118 PolarHBondContact O-N 2.87Å; T116-Y119 PolarHBondContact O-N 3.29Å; T116-Y119 VanDerWaalsContact O-N 3.13Å |
| 117 | D | 59.5 | Low | 73.9 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -64.3 | -31.4 | -179.7 | -60.7 | -11.6 | 0 | 0 | 0 | 113.5 | A115 Y119 T120 | A115-D117 PolarHBondContact O-N 2.96Å; D117-Y119 PolarHBondContact O-N 3.32Å; D117-T120 WeakPolarHBondContact O-CG2 3.5Å; D117-T120 PolarHBondContact O-N 3.18Å; D117-T120 PolarHBondContact O-OG1 2.91Å |
| 118 | W | 60.9 | Low | 73.5 | Confident | 144 Ų | 144 | 67.2 Ų | 67.2 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -69.7 | -16.1 | 176.4 | -61.7 | 101 | 0 | 0 | 0 | 113.2 | P114 A115 T116 L149 | P114-W118 HydrophobicContact CB-CB 4Å; P114-W118 HydrophobicContact CB-CG 4.28Å; A115-W118 VanDerWaalsContact O-CD1 3.29Å; A115-W118 PolarHBondContact O-N 2.88Å; T116-W118 VanDerWaalsContact C-N 3.32Å; T116-W118 PolarHBondContact O-N 2.87Å; W118-L149 HydrophobicContact CE3-CD2 4.14Å |
| 119 | Y | 63.8 | Low | 72.8 | Confident | 40 Ų | 40 | 78 Ų | 78 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -106.3 | 8.7 | -178.7 | -68.9 | -42.2 | 0 | 0 | 0 | 113.2 | W70 P114 T116 D117 V121 F122 Y123 L146 | W70-Y119 HydrophobicContact CH2-CD2 4.37Å; W70-Y119 HydrophobicContact CH2-CE2 4.45Å; W70-Y119 HydrophobicContact CZ3-CE2 4.17Å; P114-Y119 HydrophobicContact CB-CD2 4.3Å; P114-Y119 HydrophobicContact CB-CE1 4.46Å; P114-Y119 HydrophobicContact CB-CE2 3.84Å; P114-Y119 HydrophobicContact CG-CD2 4.09Å; P114-Y119 HydrophobicContact CG-CE1 3.95Å; P114-Y119 HydrophobicContact CG-CE2 3.17Å; P114-Y119 WeakPolarHBondContact CG-OH 3.3Å; T116-Y119 PolarHBondContact O-N 3.29Å; T116-Y119 VanDerWaalsContact O-N 3.13Å; D117-Y119 PolarHBondContact O-N 3.32Å; Y119-V121 PolarHBondContact O-N 2.88Å; Y119-F122 AromaticContact CD1-CD2 3.67Å; Y119-F122 HydrophobicContact CD1-CD2 3.67Å; Y119-F122 AromaticContact CD1-CE2 3.38Å; Y119-F122 HydrophobicContact CD1-CE2 3.38Å; Y119-F122 HydrophobicContact CE1-CD2 4.46Å; Y119-F122 AromaticContact CE1-CE2 3.78Å; Y119-F122 HydrophobicContact CE1-CE2 3.78Å; Y119-F122 AromaticContact CG-CD2 3.93Å; Y119-F122 HydrophobicContact CG-CD2 3.93Å; Y119-F122 HydrophobicContact CG-CE2 4.07Å; Y119-F122 WeakPolarHBondContact O-CB 3.29Å; Y119-F122 PolarHBondContact O-N 3.25Å; Y119-Y123 WeakPolarHBondContact O-CD2 3.29Å; Y119-L146 HydrophobicContact CD1-CD1 3.96Å; Y119-L146 HydrophobicContact CD1-CD2 3.99Å; Y119-L146 HydrophobicContact CE1-CD1 3.56Å; Y119-L146 HydrophobicContact CE1-CD2 3.62Å; Y119-L146 HydrophobicContact CE1-CG 4.14Å |
| 120 | T | 61.5 | Low | 72.4 | Confident | 70 Ų | 70 | 82.1 Ų | 82.1 | 43% | 0.429 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -49.2 | -31.6 | 170.9 | 45.2 | 0 | 0 | 0 | 0 | 112.4 | D117 F122 Y123 | D117-T120 WeakPolarHBondContact O-CG2 3.5Å; D117-T120 PolarHBondContact O-N 3.18Å; D117-T120 PolarHBondContact O-OG1 2.91Å; T120-F122 PolarHBondContact O-N 3.44Å; T120-F122 VanDerWaalsContact O-N 3.16Å; T120-Y123 PolarHBondContact O-N 3.36Å |
| 121 | V | 62.7 | Low | 71.8 | Confident | 27 Ų | 27 | 81.9 Ų | 81.9 | 16% | 0.164 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -42.4 | -39.9 | 166.6 | 169.4 | 0 | 0 | 0 | 0 | 114.6 | Y119 Y123 E138 P142 | Y119-V121 PolarHBondContact O-N 2.88Å; V121-Y123 VanDerWaalsContact C-N 3.28Å; V121-Y123 PolarHBondContact O-N 2.89Å; V121-E138 WeakPolarHBondContact CG1-OE1 3.11Å; V121-E138 WeakPolarHBondContact CG1-OE2 3.36Å; V121-E138 WeakPolarHBondContact CG2-OE1 3.44Å; V121-P142 HydrophobicContact CG1-CB 3.77Å; V121-P142 HydrophobicContact CG1-CG 3.21Å |
| 122 | F | 67.2 | Low | 71.2 | Confident | 15 Ų | 15 | 79.4 Ų | 79.4 | 7% | 0.066 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -79.6 | -6.3 | -178.5 | -73 | -45.8 | 0 | 0 | 0 | 114.3 | P65 W70 L73 Y119 T120 P142 L143 L146 | P65-F122 HydrophobicContact CB-CD1 4.18Å; P65-F122 HydrophobicContact CB-CG 4.32Å; P65-F122 HydrophobicContact CG-CB 3.82Å; P65-F122 HydrophobicContact CG-CD1 4.17Å; P65-F122 HydrophobicContact CG-CD2 4.27Å; P65-F122 HydrophobicContact CG-CG 3.86Å; W70-F122 HydrophobicContact CH2-CD2 4.42Å; L73-F122 HydrophobicContact CD1-CE2 3.99Å; L73-F122 HydrophobicContact CD1-CZ 3.94Å; Y119-F122 AromaticContact CD1-CD2 3.67Å; Y119-F122 HydrophobicContact CD1-CD2 3.67Å; Y119-F122 AromaticContact CD1-CE2 3.38Å; Y119-F122 HydrophobicContact CD1-CE2 3.38Å; Y119-F122 HydrophobicContact CE1-CD2 4.46Å; Y119-F122 AromaticContact CE1-CE2 3.78Å; Y119-F122 HydrophobicContact CE1-CE2 3.78Å; Y119-F122 AromaticContact CG-CD2 3.93Å; Y119-F122 HydrophobicContact CG-CD2 3.93Å; Y119-F122 HydrophobicContact CG-CE2 4.07Å; Y119-F122 WeakPolarHBondContact O-CB 3.29Å; Y119-F122 PolarHBondContact O-N 3.25Å; T120-F122 PolarHBondContact O-N 3.44Å; T120-F122 VanDerWaalsContact O-N 3.16Å; F122-P142 HydrophobicContact CD1-CB 4.49Å; F122-P142 HydrophobicContact CE1-CB 3.66Å; F122-P142 HydrophobicContact CE1-CG 4.3Å; F122-P142 HydrophobicContact CZ-CB 3.89Å; F122-L143 HydrophobicContact CE1-CD2 4.47Å; F122-L143 HydrophobicContact CZ-CD2 4.18Å; F122-L146 HydrophobicContact CE1-CD1 4.47Å; F122-L146 HydrophobicContact CE2-CD1 3.56Å; F122-L146 HydrophobicContact CZ-CD1 3.34Å |
| 123 | Y | 68.7 | Low | 70.6 | Confident | 138 Ų | 138 | 81.7 Ų | 81.7 | 54% | 0.541 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -117.2 | 15.5 | -172 | -62.6 | -74.9 | 0 | 0 | 0 | 113.6 | Y119 T120 V121 | Y119-Y123 WeakPolarHBondContact O-CD2 3.29Å; T120-Y123 PolarHBondContact O-N 3.36Å; V121-Y123 VanDerWaalsContact C-N 3.28Å; V121-Y123 PolarHBondContact O-N 2.89Å |
| 124 | N | 74.7 | Confident | 70.3 | Confident | 20 Ų | 20 | 82.1 Ų | 82.1 | 11% | 0.107 | 42% | 0.42 | C | S | . | . | trans | 45.5 | 75.7 | -177.7 | -65.2 | -43.5 | 0 | 0 | 0 | 111.5 | C61 T132 I133 Y134 C135 | C61-N124 PolarHBondContact O-ND2 3.26Å; C61-N124 PolarHBondContact O-OD1 3.33Å; N124-T132 HydrophobicContact CB-CG2 3.75Å; N124-T132 VanDerWaalsContact O-CG2 3.31Å; N124-T132 WeakPolarHBondContact O-CG2 3.42Å; N124-I133 CarbonylContact C-O 3.44Å; N124-I133 WeakPolarHBondContact CA-O 3.47Å; N124-I133 WeakPolarHBondContact CB-O 3.27Å; N124-Y134 HydrophobicContact CB-CD1 4.37Å; N124-Y134 WeakPolarHBondContact OD1-CA 3.45Å; N124-C135 PolarHBondContact OD1-N 3.15Å | ||
| 125 | P | 75 | Confident | 70.5 | Confident | 50 Ų | 50 | 81.6 Ų | 81.6 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | trans | -64.3 | 145.9 | -169.2 | 26.9 | -34.3 | 0 | 0 | 0 | 112.2 | I133 | P125-I133 HydrophobicContact CG-CB 4.46Å; P125-I133 PolarHBondContact O-N 3.33Å | ||
| 126 | V | 78 | Confident | 70.5 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 109.7 | 174.9 | -170 | 0 | 0 | 0 | 0 | 109.4 | E131 | V126-E131 CarbonylContact C-O 3.55Å; V126-E131 VanDerWaalsContact CA-O 3.31Å; V126-E131 WeakPolarHBondContact CA-O 3.41Å |
| 127 | I | 78.8 | Confident | 70.2 | Confident | 70 Ų | 70 | 81 Ų | 81 | 36% | 0.359 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 135.3 | 172.9 | 52.4 | 162.7 | 0 | 0 | 0 | 110.3 | Y129 T130 E131 I133 | I127-Y129 PolarHBondContact O-N 3.01Å; I127-T130 PolarHBondContact O-N 3.35Å; I127-T130 PolarHBondContact O-OG1 2.92Å; I127-E131 HydrophobicContact CD1-CB 4.14Å; I127-E131 HydrophobicContact CG1-CB 3.89Å; I127-E131 WeakPolarHBondContact CG1-O 3.2Å; I127-E131 PolarHBondContact N-O 3.4Å; I127-E131 PolarHBondContact O-N 3.3Å; I127-I133 HydrophobicContact CD1-CD1 4.07Å; I127-I133 HydrophobicContact CD1-CG1 4.19Å; I127-I133 HydrophobicContact CG1-CD1 4.25Å; I127-I133 HydrophobicContact CG1-CG1 4.2Å; I127-I133 HydrophobicContact CG2-CD1 3.57Å; I127-I133 HydrophobicContact CG2-CG1 4.24Å |
| 128 | N | 83.7 | Confident | 70 | Confident | 140 Ų | 140 | 79.1 Ų | 79.1 | 75% | 0.749 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 19.5 | 178.8 | -68.1 | -24.2 | 0 | 0 | 0 | 115.8 | T130 | N128-T130 PolarHBondContact O-N 3.22Å; N128-T130 VanDerWaalsContact O-N 3.16Å |
| 129 | Y | 77.5 | Confident | 69.5 | Low | 227 Ų | 227 | 77.4 Ų | 77.4 | 89% | 0.89 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 13 | -171.1 | -50.9 | -82.1 | 0 | 0 | 0 | 114.9 | I127 | I127-Y129 PolarHBondContact O-N 3.01Š|
| 130 | T | 80 | Confident | 69.2 | Low | 109 Ų | 109 | 78.6 Ų | 78.6 | 67% | 0.669 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | -39.8 | -173.8 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | I127 N128 | I127-T130 PolarHBondContact O-N 3.35Å; I127-T130 PolarHBondContact O-OG1 2.92Å; N128-T130 PolarHBondContact O-N 3.22Å; N128-T130 VanDerWaalsContact O-N 3.16Å |
| 131 | E | 78 | Confident | 69.6 | Low | 126 Ų | 126 | 81.8 Ų | 81.8 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.6 | -172 | -61.9 | -177.6 | 173.1 | 0 | 0 | 110.8 | V126 I127 | V126-E131 CarbonylContact C-O 3.55Å; V126-E131 VanDerWaalsContact CA-O 3.31Å; V126-E131 WeakPolarHBondContact CA-O 3.41Å; I127-E131 HydrophobicContact CD1-CB 4.14Å; I127-E131 HydrophobicContact CG1-CB 3.89Å; I127-E131 WeakPolarHBondContact CG1-O 3.2Å; I127-E131 PolarHBondContact N-O 3.4Å; I127-E131 PolarHBondContact O-N 3.3Å |
| 132 | T | 76.6 | Confident | 70.3 | Confident | 55 Ų | 55 | 81 Ų | 81 | 34% | 0.337 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.2 | 175.6 | -60.1 | 0 | 0 | 0 | 0 | 109.5 | N124 Y134 | N124-T132 HydrophobicContact CB-CG2 3.75Å; N124-T132 VanDerWaalsContact O-CG2 3.31Å; N124-T132 WeakPolarHBondContact O-CG2 3.42Å; T132-Y134 HydrophobicContact CG2-CD1 4.41Å; T132-Y134 HydrophobicContact CG2-CE1 4.08Å; T132-Y134 HydrophobicContact CG2-CE2 4.27Å; T132-Y134 WeakPolarHBondContact O-CD2 3.42Å |
| 133 | I | 73.5 | Confident | 71.1 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 123.7 | 170.5 | -68.9 | 177 | 0 | 0 | 0 | 108.1 | N124 P125 I127 Q137 | N124-I133 CarbonylContact C-O 3.44Å; N124-I133 WeakPolarHBondContact CA-O 3.47Å; N124-I133 WeakPolarHBondContact CB-O 3.27Å; P125-I133 HydrophobicContact CG-CB 4.46Å; P125-I133 PolarHBondContact O-N 3.33Å; I127-I133 HydrophobicContact CD1-CD1 4.07Å; I127-I133 HydrophobicContact CD1-CG1 4.19Å; I127-I133 HydrophobicContact CG1-CD1 4.25Å; I127-I133 HydrophobicContact CG1-CG1 4.2Å; I127-I133 HydrophobicContact CG2-CD1 3.57Å; I127-I133 HydrophobicContact CG2-CG1 4.24Å; I133-Q137 HydrophobicContact CG2-CB 4.03Å; I133-Q137 HydrophobicContact CG2-CG 4.45Å; I133-Q137 VanDerWaalsContact CG2-OE1 3.26Å |
| 134 | Y | 72 | Confident | 72 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 17% | 0.165 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -94 | 147.6 | 178.7 | -65.8 | -82.4 | 0 | 0 | 0 | 111.3 | R60 C61 N124 T132 T136 Q137 | R60-Y134 HydrophobicContact CB-CD1 4.44Å; R60-Y134 HydrophobicContact CB-CE1 4.2Å; R60-Y134 PolarHBondContact NH1-OH 2.84Å; C61-Y134 WeakPolarHBondContact O-CD1 3.35Å; N124-Y134 HydrophobicContact CB-CD1 4.37Å; N124-Y134 WeakPolarHBondContact OD1-CA 3.45Å; T132-Y134 HydrophobicContact CG2-CD1 4.41Å; T132-Y134 HydrophobicContact CG2-CE1 4.08Å; T132-Y134 HydrophobicContact CG2-CE2 4.27Å; T132-Y134 WeakPolarHBondContact O-CD2 3.42Å; Y134-T136 PolarHBondContact O-N 3.3Å; Y134-Q137 PolarHBondContact O-N 3.34Å; Y134-Q137 VanDerWaalsContact O-N 3.11Å |
| 135 | C | 66.6 | Low | 72.5 | Confident | 31 Ų | 31 | 81.7 Ų | 81.7 | 21% | 0.209 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -10.2 | -162.4 | 71 | 0 | 0 | 0 | 0 | 118.8 | C61 N124 | C61-C135 WeakPolarHBondContact CB-SG 3.49Å; N124-C135 PolarHBondContact OD1-N 3.15Å |
| 136 | T | 60.6 | Low | 73.1 | Confident | 49 Ų | 49 | 80.1 Ų | 80.1 | 30% | 0.301 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 6.3 | 178.3 | 99.1 | 0 | 0 | 0 | 0 | 114.2 | W48 G49 Y134 E138 | W48-T136 VanDerWaalsContact CA-OG1 3.27Å; W48-T136 WeakPolarHBondContact CA-OG1 3.45Å; G49-T136 PolarHBondContact N-OG1 2.85Å; Y134-T136 PolarHBondContact O-N 3.3Å; T136-E138 PolarHBondContact O-N 2.89Å |
| 137 | Q | 55.6 | Low | 73.8 | Confident | 101 Ų | 101 | 76.3 Ų | 76.3 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -77.5 | -5.5 | 172 | -69.4 | -172.8 | -11.8 | 0 | 0 | 113 | W48 I133 Y134 | W48-Q137 HydrophobicContact CB-CG 4.3Å; I133-Q137 HydrophobicContact CG2-CB 4.03Å; I133-Q137 HydrophobicContact CG2-CG 4.45Å; I133-Q137 VanDerWaalsContact CG2-OE1 3.26Å; Y134-Q137 PolarHBondContact O-N 3.34Å; Y134-Q137 VanDerWaalsContact O-N 3.11Å |
| 138 | E | 54.5 | Low | 74.4 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -81.8 | 141.9 | 177.5 | -62.2 | -170.2 | 172.6 | 0 | 0 | 112.4 | V121 T136 V140 | V121-E138 WeakPolarHBondContact CG1-OE1 3.11Å; V121-E138 WeakPolarHBondContact CG1-OE2 3.36Å; V121-E138 WeakPolarHBondContact CG2-OE1 3.44Å; T136-E138 PolarHBondContact O-N 2.89Å; E138-V140 PolarHBondContact O-N 3.44Å; E138-V140 VanDerWaalsContact O-N 3.16Å |
| 139 | A | 50.8 | Low | 74.7 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 89% | 0.893 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -62.2 | -21.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 140 | V | 56.8 | Low | 75.3 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -142.9 | 130 | -174.2 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | E138 Y144 F145 | E138-V140 PolarHBondContact O-N 3.44Å; E138-V140 VanDerWaalsContact O-N 3.16Å; V140-Y144 HydrophobicContact CG1-CD1 3.51Å; V140-Y144 HydrophobicContact CG1-CE1 4.22Å; V140-Y144 HydrophobicContact CG1-CG 4.49Å; V140-F145 HydrophobicContact CG1-CB 3.9Å |
| 141 | Y | 70.6 | Confident | 75.9 | Confident | 137 Ų | 137 | 54.8 Ų | 54.8 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | trans | -58.5 | 134 | -179.4 | -169.8 | -113.6 | 0 | 0 | 0 | 112 | L143 Y144 F145 | Y141-L143 HydrophobicContact CD1-CB 3.79Å; Y141-L143 HydrophobicContact CD1-CG 4.37Å; Y141-L143 HydrophobicContact CE1-CB 3.52Å; Y141-L143 HydrophobicContact CE1-CD1 3.64Å; Y141-L143 HydrophobicContact CE1-CG 3.73Å; Y141-L143 PolarHBondContact O-N 2.88Å; Y141-Y144 WeakPolarHBondContact O-CA 3.5Å; Y141-Y144 WeakPolarHBondContact O-CB 3.36Å; Y141-Y144 PolarHBondContact O-N 2.82Å; Y141-F145 PolarHBondContact O-N 2.99Å | ||
| 142 | P | 77.3 | Confident | 76.5 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 8% | 0.078 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | -172.8 | -26.2 | 35.6 | 0 | 0 | 0 | 112.9 | V121 F122 Y144 F145 L146 | V121-P142 HydrophobicContact CG1-CB 3.77Å; V121-P142 HydrophobicContact CG1-CG 3.21Å; F122-P142 HydrophobicContact CD1-CB 4.49Å; F122-P142 HydrophobicContact CE1-CB 3.66Å; F122-P142 HydrophobicContact CE1-CG 4.3Å; F122-P142 HydrophobicContact CZ-CB 3.89Å; P142-Y144 PolarHBondContact O-N 3.12Å; P142-F145 PolarHBondContact O-N 2.87Å; P142-L146 HydrophobicContact CB-CD1 4Å; P142-L146 VanDerWaalsContact O-CB 3.23Å; P142-L146 WeakPolarHBondContact O-CB 3.28Å; P142-L146 WeakPolarHBondContact O-CD1 3.44Å; P142-L146 WeakPolarHBondContact O-CG 3.5Å; P142-L146 PolarHBondContact O-N 3.34Å |
| 143 | L | 83.8 | Confident | 77.2 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.3 | -15 | 179 | -56.3 | 174 | 0 | 0 | 0 | 113.1 | H69 Y72 L73 F122 Y141 P147 Y202 | H69-L143 HydrophobicContact CB-CD1 4.09Å; H69-L143 HydrophobicContact CB-CD2 4.11Å; Y72-L143 HydrophobicContact CD1-CB 4.41Å; Y72-L143 HydrophobicContact CD1-CD2 4.17Å; Y72-L143 HydrophobicContact CE1-CB 4.07Å; Y72-L143 WeakPolarHBondContact CE1-O 3.12Å; Y72-L143 PolarHBondContact OH-O 2.94Å; L73-L143 HydrophobicContact CD1-CD2 3.94Å; L73-L143 HydrophobicContact CD2-CD2 3.91Å; L73-L143 HydrophobicContact CG-CD2 3.77Å; F122-L143 HydrophobicContact CE1-CD2 4.47Å; F122-L143 HydrophobicContact CZ-CD2 4.18Å; Y141-L143 HydrophobicContact CD1-CB 3.79Å; Y141-L143 HydrophobicContact CD1-CG 4.37Å; Y141-L143 HydrophobicContact CE1-CB 3.52Å; Y141-L143 HydrophobicContact CE1-CD1 3.64Å; Y141-L143 HydrophobicContact CE1-CG 3.73Å; Y141-L143 PolarHBondContact O-N 2.88Å; L143-P147 WeakPolarHBondContact O-CD 3.29Å; L143-Y202 HydrophobicContact CD1-CE2 3.74Å |
| 144 | Y | 86.7 | Confident | 78.1 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 31% | 0.306 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -84.2 | -49.4 | 169.1 | -179.4 | -104.6 | 0 | 0 | 0 | 111.1 | V140 Y141 P142 F148 H194 C198 | V140-Y144 HydrophobicContact CG1-CD1 3.51Å; V140-Y144 HydrophobicContact CG1-CE1 4.22Å; V140-Y144 HydrophobicContact CG1-CG 4.49Å; Y141-Y144 WeakPolarHBondContact O-CA 3.5Å; Y141-Y144 WeakPolarHBondContact O-CB 3.36Å; Y141-Y144 PolarHBondContact O-N 2.82Å; P142-Y144 PolarHBondContact O-N 3.12Å; Y144-F148 AromaticContact CD1-CE2 3.91Å; Y144-F148 HydrophobicContact CD1-CE2 3.91Å; Y144-F148 HydrophobicContact CD2-CE2 4.13Å; Y144-F148 AromaticContact CE1-CE2 3.61Å; Y144-F148 HydrophobicContact CE1-CE2 3.61Å; Y144-F148 HydrophobicContact CE1-CZ 4.31Å; Y144-F148 AromaticContact CE2-CE2 3.83Å; Y144-F148 HydrophobicContact CE2-CE2 3.83Å; Y144-F148 HydrophobicContact CE2-CZ 4.05Å; Y144-F148 HydrophobicContact CG-CE2 4.19Å; Y144-F148 AromaticContact CZ-CE2 3.58Å; Y144-F148 AromaticContact CZ-CZ 3.86Å; Y144-F148 WeakPolarHBondContact O-CD2 3.38Å; Y144-F148 WeakPolarHBondContact O-CE2 3.39Å; Y144-H194 PolarHBondContact O-NE2 3.15Å; Y144-C198 HydrophobicContact CD2-CB 3.53Å; Y144-C198 WeakPolarHBondContact CD2-SG 3.28Å; Y144-C198 HydrophobicContact CE2-CB 3.78Å; Y144-C198 VanDerWaalsContact CE2-SG 3.51Å |
| 145 | F | 87.3 | Confident | 79 | Confident | 103 Ų | 103 | 51.2 Ų | 51.2 | 45% | 0.452 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.2 | -42 | -174.7 | -178.4 | -107 | 0 | 0 | 0 | 113.9 | V140 Y141 P142 F148 L149 | V140-F145 HydrophobicContact CG1-CB 3.9Å; Y141-F145 PolarHBondContact O-N 2.99Å; P142-F145 PolarHBondContact O-N 2.87Å; F145-F148 WeakPolarHBondContact O-CB 3.32Å; F145-F148 PolarHBondContact O-N 2.94Å; F145-L149 HydrophobicContact CE1-CB 4.16Å; F145-L149 HydrophobicContact CE1-CD2 4.18Å; F145-L149 HydrophobicContact CZ-CB 4.49Å; F145-L149 PolarHBondContact O-N 3.26Å |
| 146 | L | 87.3 | Confident | 80.2 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | -170.1 | -71.9 | 166.7 | 0 | 0 | 0 | 114.3 | L73 Y119 F122 P142 F148 L149 Y150 | L73-L146 HydrophobicContact CD1-CD1 4.18Å; L73-L146 HydrophobicContact CD2-CB 4Å; L73-L146 HydrophobicContact CD2-CD1 4.13Å; Y119-L146 HydrophobicContact CD1-CD1 3.96Å; Y119-L146 HydrophobicContact CD1-CD2 3.99Å; Y119-L146 HydrophobicContact CE1-CD1 3.56Å; Y119-L146 HydrophobicContact CE1-CD2 3.62Å; Y119-L146 HydrophobicContact CE1-CG 4.14Å; F122-L146 HydrophobicContact CE1-CD1 4.47Å; F122-L146 HydrophobicContact CE2-CD1 3.56Å; F122-L146 HydrophobicContact CZ-CD1 3.34Å; P142-L146 HydrophobicContact CB-CD1 4Å; P142-L146 VanDerWaalsContact O-CB 3.23Å; P142-L146 WeakPolarHBondContact O-CB 3.28Å; P142-L146 WeakPolarHBondContact O-CD1 3.44Å; P142-L146 WeakPolarHBondContact O-CG 3.5Å; P142-L146 PolarHBondContact O-N 3.34Å; L146-F148 VanDerWaalsContact C-N 3.27Å; L146-F148 PolarHBondContact O-N 3.09Å; L146-L149 PolarHBondContact O-N 2.88Å; L146-Y150 WeakPolarHBondContact O-CB 3.29Å; L146-Y150 PolarHBondContact O-N 3.04Å |
| 147 | P | 91.9 | Very high | 81.7 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.4 | -37.6 | 173 | -27.6 | 36.5 | 0 | 0 | 0 | 113.4 | Y72 M76 L143 Y150 Y151 | Y72-P147 HydrophobicContact CE1-CG 4.38Å; M76-P147 HydrophobicContact CB-CB 4.28Å; M76-P147 HydrophobicContact CB-CG 4.21Å; M76-P147 HydrophobicContact CG-CB 4.34Å; M76-P147 HydrophobicContact CG-CG 4.05Å; L143-P147 WeakPolarHBondContact O-CD 3.29Å; P147-Y150 PolarHBondContact O-N 3.29Å; P147-Y151 HydrophobicContact CB-CE2 4.28Å; P147-Y151 WeakPolarHBondContact O-CB 3.47Å; P147-Y151 WeakPolarHBondContact O-CD2 3.46Å; P147-Y151 PolarHBondContact O-N 3.33Å |
| 148 | F | 91.8 | Very high | 83.3 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 17% | 0.167 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | 176.3 | -62.3 | -69 | 0 | 0 | 0 | 112.1 | Y144 F145 L146 Y150 Y151 L152 I191 H194 A195 | Y144-F148 AromaticContact CD1-CE2 3.91Å; Y144-F148 HydrophobicContact CD1-CE2 3.91Å; Y144-F148 HydrophobicContact CD2-CE2 4.13Å; Y144-F148 AromaticContact CE1-CE2 3.61Å; Y144-F148 HydrophobicContact CE1-CE2 3.61Å; Y144-F148 HydrophobicContact CE1-CZ 4.31Å; Y144-F148 AromaticContact CE2-CE2 3.83Å; Y144-F148 HydrophobicContact CE2-CE2 3.83Å; Y144-F148 HydrophobicContact CE2-CZ 4.05Å; Y144-F148 HydrophobicContact CG-CE2 4.19Å; Y144-F148 AromaticContact CZ-CE2 3.58Å; Y144-F148 AromaticContact CZ-CZ 3.86Å; Y144-F148 WeakPolarHBondContact O-CD2 3.38Å; Y144-F148 WeakPolarHBondContact O-CE2 3.39Å; F145-F148 WeakPolarHBondContact O-CB 3.32Å; F145-F148 PolarHBondContact O-N 2.94Å; L146-F148 VanDerWaalsContact C-N 3.27Å; L146-F148 PolarHBondContact O-N 3.09Å; F148-Y150 VanDerWaalsContact C-N 3.32Å; F148-Y150 PolarHBondContact O-N 3.25Å; F148-Y151 PolarHBondContact O-N 3.48Å; F148-L152 WeakPolarHBondContact O-CB 3.06Å; F148-L152 PolarHBondContact O-N 2.93Å; F148-I191 HydrophobicContact CD1-CB 4.35Å; F148-I191 HydrophobicContact CD1-CG1 4.25Å; F148-I191 HydrophobicContact CD1-CG2 3.84Å; F148-I191 HydrophobicContact CE1-CB 4.47Å; F148-I191 HydrophobicContact CE1-CG2 3.87Å; F148-I191 WeakPolarHBondContact CE1-O 3.38Å; F148-H194 AromaticContact CD2-CD2 3.98Å; F148-H194 HydrophobicContact CE1-CB 4.38Å; F148-H194 AromaticContact CE1-CD2 3.82Å; F148-H194 AromaticContact CE2-CD2 3.49Å; F148-H194 VanDerWaalsContact CE2-CD2 3.49Å; F148-H194 WeakPolarHBondContact CE2-CD2 3.38Å; F148-H194 AromaticContact CE2-NE2 3.88Å; F148-H194 HydrophobicContact CZ-CB 4.45Å; F148-H194 AromaticContact CZ-CD2 3.4Å; F148-H194 VanDerWaalsContact CZ-CD2 3.4Å; F148-H194 WeakPolarHBondContact CZ-CD2 3.29Å; F148-A195 HydrophobicContact CE1-CB 4.04Å; F148-A195 HydrophobicContact CZ-CB 3.88Å |
| 149 | L | 88.7 | Confident | 85 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 177.6 | -179.7 | 61.8 | 0 | 0 | 0 | 110.5 | W118 F145 L146 Y151 L152 L153 | W118-L149 HydrophobicContact CE3-CD2 4.14Å; F145-L149 HydrophobicContact CE1-CB 4.16Å; F145-L149 HydrophobicContact CE1-CD2 4.18Å; F145-L149 HydrophobicContact CZ-CB 4.49Å; F145-L149 PolarHBondContact O-N 3.26Å; L146-L149 PolarHBondContact O-N 2.88Å; L149-Y151 PolarHBondContact O-N 3.21Å; L149-L152 PolarHBondContact O-N 3.31Å; L149-L153 HydrophobicContact CD1-CD1 4.27Å; L149-L153 HydrophobicContact CD1-CG 4.23Å; L149-L153 HydrophobicContact CG-CD1 4.12Å; L149-L153 HydrophobicContact CG-CG 4.47Å; L149-L153 WeakPolarHBondContact O-CB 3.32Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 2.81Å |
| 150 | Y | 91.1 | Very high | 87 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 176.9 | -180 | -93.9 | 0 | 0 | 0 | 112.1 | A77 C109 A112 L146 P147 F148 L152 L153 S154 | A77-Y150 VanDerWaalsContact CA-CE1 3.5Å; A77-Y150 HydrophobicContact CB-CD1 4.45Å; A77-Y150 HydrophobicContact CB-CD2 4.39Å; A77-Y150 HydrophobicContact CB-CE1 4.06Å; A77-Y150 HydrophobicContact CB-CE2 3.96Å; A77-Y150 VanDerWaalsContact O-CE1 3.29Å; A77-Y150 WeakPolarHBondContact O-CE1 3.34Å; A77-Y150 PolarHBondContact O-OH 2.77Å; C109-Y150 WeakPolarHBondContact CA-OH 3.32Å; C109-Y150 PolarHBondContact SG-OH 3.09Å; A112-Y150 HydrophobicContact CB-CD2 3.81Å; A112-Y150 HydrophobicContact CB-CE2 3.54Å; A112-Y150 HydrophobicContact CB-CG 4.5Å; A112-Y150 VanDerWaalsContact O-CD2 3.32Å; A112-Y150 WeakPolarHBondContact O-CD2 3.27Å; L146-Y150 WeakPolarHBondContact O-CB 3.29Å; L146-Y150 PolarHBondContact O-N 3.04Å; P147-Y150 PolarHBondContact O-N 3.29Å; F148-Y150 VanDerWaalsContact C-N 3.32Å; F148-Y150 PolarHBondContact O-N 3.25Å; Y150-L152 PolarHBondContact O-N 2.96Å; Y150-L153 PolarHBondContact O-N 3.29Å; Y150-S154 WeakPolarHBondContact CE1-OG 3.49Å; Y150-S154 WeakPolarHBondContact O-CB 3.17Å; Y150-S154 PolarHBondContact O-N 3.02Å; Y150-S154 PolarHBondContact O-OG 3.36Å |
| 151 | Y | 93 | Very high | 88.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 177.6 | -66.3 | -23.3 | 0 | 0 | 0 | 112.7 | M76 P80 P147 F148 L149 S154 L155 Y187 L190 I191 | M76-Y151 WeakPolarHBondContact O-CE1 3.38Å; M76-Y151 PolarHBondContact O-OH 3.18Å; M76-Y151 PolarHBondContact SD-OH 3.32Å; P80-Y151 HydrophobicContact CG-CD1 3.93Å; P80-Y151 HydrophobicContact CG-CE1 3.55Å; P147-Y151 HydrophobicContact CB-CE2 4.28Å; P147-Y151 WeakPolarHBondContact O-CB 3.47Å; P147-Y151 WeakPolarHBondContact O-CD2 3.46Å; P147-Y151 PolarHBondContact O-N 3.33Å; F148-Y151 PolarHBondContact O-N 3.48Å; L149-Y151 PolarHBondContact O-N 3.21Å; Y151-S154 PolarHBondContact O-N 3.4Å; Y151-L155 WeakPolarHBondContact O-CB 3.36Å; Y151-L155 PolarHBondContact O-N 3.11Å; Y151-Y187 HydrophobicContact CD1-CD1 4.14Å; Y151-Y187 HydrophobicContact CD1-CE1 4.19Å; Y151-Y187 HydrophobicContact CG-CD1 4.24Å; Y151-L190 HydrophobicContact CD2-CB 4.26Å; Y151-L190 HydrophobicContact CE1-CD1 4.35Å; Y151-L190 HydrophobicContact CE2-CB 3.89Å; Y151-I191 HydrophobicContact CD2-CG1 3.92Å; Y151-I191 HydrophobicContact CG-CG1 4.45Å |
| 152 | L | 91.1 | Very high | 89.8 | Confident | 96 Ų | 96 | 41.6 Ų | 41.6 | 50% | 0.503 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65 | -47.9 | 175.3 | -178.6 | 64.7 | 0 | 0 | 0 | 111.4 | F148 L149 Y150 S154 L155 V156 | F148-L152 WeakPolarHBondContact O-CB 3.06Å; F148-L152 PolarHBondContact O-N 2.93Å; L149-L152 PolarHBondContact O-N 3.31Å; Y150-L152 PolarHBondContact O-N 2.96Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 3.15Å; L152-L155 PolarHBondContact O-N 3.36Å; L152-V156 WeakPolarHBondContact O-CG2 3.44Å; L152-V156 PolarHBondContact O-N 2.83Å |
| 153 | L | 90.9 | Very high | 90.5 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.4 | -69.3 | 176.7 | 0 | 0 | 0 | 111.6 | A112 L149 Y150 V156 A157 | A112-L153 HydrophobicContact CB-CB 4.03Å; L149-L153 HydrophobicContact CD1-CD1 4.27Å; L149-L153 HydrophobicContact CD1-CG 4.23Å; L149-L153 HydrophobicContact CG-CD1 4.12Å; L149-L153 HydrophobicContact CG-CG 4.47Å; L149-L153 WeakPolarHBondContact O-CB 3.32Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 2.81Å; Y150-L153 PolarHBondContact O-N 3.29Å; L153-V156 PolarHBondContact O-N 2.86Å; L153-A157 VanDerWaalsContact O-CB 3.3Å; L153-A157 WeakPolarHBondContact O-CB 3.3Å; L153-A157 PolarHBondContact O-N 3.12Å |
| 154 | S | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 174.5 | -62.4 | 0 | 0 | 0 | 0 | 112 | A112 Y150 Y151 L152 A157 M158 Y187 | A112-S154 WeakPolarHBondContact CB-OG 3.24Å; Y150-S154 WeakPolarHBondContact CE1-OG 3.49Å; Y150-S154 WeakPolarHBondContact O-CB 3.17Å; Y150-S154 PolarHBondContact O-N 3.02Å; Y150-S154 PolarHBondContact O-OG 3.36Å; Y151-S154 PolarHBondContact O-N 3.4Å; L152-S154 VanDerWaalsContact C-N 3.31Å; L152-S154 PolarHBondContact O-N 3.15Å; S154-A157 PolarHBondContact O-N 3.03Å; S154-M158 WeakPolarHBondContact O-CB 3.44Å; S154-M158 PolarHBondContact O-N 2.92Å; S154-Y187 WeakPolarHBondContact CB-OH 3.26Å |
| 155 | L | 90.7 | Very high | 91.2 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 176.8 | -175.4 | 68 | 0 | 0 | 0 | 111.7 | Y151 L152 M158 I159 L184 Y187 | Y151-L155 WeakPolarHBondContact O-CB 3.36Å; Y151-L155 PolarHBondContact O-N 3.11Å; L152-L155 PolarHBondContact O-N 3.36Å; L155-M158 HydrophobicContact CD1-CE 4.17Å; L155-M158 WeakPolarHBondContact O-CB 3.22Å; L155-M158 PolarHBondContact O-N 3.22Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 3.44Å; L155-L184 HydrophobicContact CD1-CD1 4.04Å; L155-Y187 HydrophobicContact CD1-CD2 4.41Å |
| 156 | V | 91.5 | Very high | 91.4 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -45.8 | 174.5 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L152 L153 M158 I159 F160 | L152-V156 WeakPolarHBondContact O-CG2 3.44Å; L152-V156 PolarHBondContact O-N 2.83Å; L153-V156 PolarHBondContact O-N 2.86Å; V156-M158 VanDerWaalsContact C-N 3.27Å; V156-M158 PolarHBondContact O-N 3.13Å; V156-I159 WeakPolarHBondContact O-CB 3.36Å; V156-I159 PolarHBondContact O-N 3.44Å; V156-F160 HydrophobicContact CG1-CD2 4.45Å; V156-F160 HydrophobicContact CG1-CE2 3.98Å; V156-F160 WeakPolarHBondContact O-CD2 3.35Å |
| 157 | A | 92 | Very high | 91.7 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E108 L111 L153 S154 I159 F160 V161 | E108-A157 HydrophobicContact CG-CB 4.34Å; L111-A157 HydrophobicContact CB-CB 4.33Å; L111-A157 HydrophobicContact CD1-CB 4.45Å; L153-A157 VanDerWaalsContact O-CB 3.3Å; L153-A157 WeakPolarHBondContact O-CB 3.3Å; L153-A157 PolarHBondContact O-N 3.12Å; S154-A157 PolarHBondContact O-N 3.03Å; A157-I159 VanDerWaalsContact C-N 3.29Å; A157-I159 PolarHBondContact O-N 3.26Å; A157-F160 PolarHBondContact O-N 2.9Å; A157-V161 HydrophobicContact CB-CG2 4.45Å; A157-V161 WeakPolarHBondContact O-CB 3.38Å; A157-V161 VanDerWaalsContact O-CG2 3.25Å; A157-V161 WeakPolarHBondContact O-CG2 3.41Å; A157-V161 PolarHBondContact O-N 3.41Å |
| 158 | M | 90.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.054 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.4 | -41.4 | 177.7 | -170.9 | -163.4 | -58.6 | 0 | 0 | 113.3 | E108 S154 L155 V156 F160 R162 A183 Y187 | E108-M158 WeakPolarHBondContact OE1-CA 3.16Å; S154-M158 WeakPolarHBondContact O-CB 3.44Å; S154-M158 PolarHBondContact O-N 2.92Å; L155-M158 HydrophobicContact CD1-CE 4.17Å; L155-M158 WeakPolarHBondContact O-CB 3.22Å; L155-M158 PolarHBondContact O-N 3.22Å; V156-M158 VanDerWaalsContact C-N 3.27Å; V156-M158 PolarHBondContact O-N 3.13Å; M158-F160 PolarHBondContact O-N 3.47Å; M158-R162 VanDerWaalsContact CG-CD 3.46Å; M158-R162 HydrophobicContact CG-CG 3.87Å; M158-R162 WeakPolarHBondContact O-CG 3.4Å; M158-R162 PolarHBondContact O-N 2.98Å; M158-A183 HydrophobicContact CE-CB 3.41Å; M158-A183 VanDerWaalsContact CE-CB 3.41Å; M158-A183 HydrophobicContact SD-CB 3.58Å; M158-A183 VanDerWaalsContact SD-CB 3.58Å; M158-Y187 HydrophobicContact CE-CD2 3.4Å; M158-Y187 HydrophobicContact CE-CE2 3.11Å |
| 159 | I | 90.7 | Very high | 91.8 | Very high | 111 Ų | 111 | 53.9 Ų | 53.9 | 57% | 0.569 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.7 | -32.4 | -179.8 | -67.5 | 167.6 | 0 | 0 | 0 | 111 | L155 V156 A157 P163 | L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 3.44Å; V156-I159 WeakPolarHBondContact O-CB 3.36Å; V156-I159 PolarHBondContact O-N 3.44Å; A157-I159 VanDerWaalsContact C-N 3.29Å; A157-I159 PolarHBondContact O-N 3.26Å; I159-P163 VanDerWaalsContact O-CD 3.25Å; I159-P163 WeakPolarHBondContact O-CD 3.2Å; I159-P163 VanDerWaalsContact O-CG 3.29Å; I159-P163 WeakPolarHBondContact O-CG 3.45Å |
| 160 | F | 92.4 | Very high | 92 | Very high | 144 Ų | 144 | 59.2 Ų | 59.2 | 63% | 0.632 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -98.5 | -44.8 | -178.7 | -59.4 | -71.7 | 0 | 0 | 0 | 113.1 | V156 A157 M158 A164 | V156-F160 HydrophobicContact CG1-CD2 4.45Å; V156-F160 HydrophobicContact CG1-CE2 3.98Å; V156-F160 WeakPolarHBondContact O-CD2 3.35Å; A157-F160 PolarHBondContact O-N 2.9Å; M158-F160 PolarHBondContact O-N 3.47Å; F160-A164 WeakPolarHBondContact O-CB 3.47Å; F160-A164 PolarHBondContact O-N 3.4Å |
| 161 | V | 93.5 | Very high | 91.9 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -43 | -173.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | A104 I107 E108 L111 A157 A164 V165 | A104-V161 HydrophobicContact CB-CG1 4.14Å; I107-V161 HydrophobicContact CB-CG1 4.03Å; I107-V161 HydrophobicContact CG2-CG1 3.88Å; I107-V161 HydrophobicContact CG2-CG2 3.87Å; E108-V161 HydrophobicContact CG-CB 4.03Å; E108-V161 HydrophobicContact CG-CG1 4.11Å; E108-V161 HydrophobicContact CG-CG2 4.3Å; L111-V161 HydrophobicContact CD1-CG2 3.71Å; A157-V161 HydrophobicContact CB-CG2 4.45Å; A157-V161 WeakPolarHBondContact O-CB 3.38Å; A157-V161 VanDerWaalsContact O-CG2 3.25Å; A157-V161 WeakPolarHBondContact O-CG2 3.41Å; A157-V161 PolarHBondContact O-N 3.41Å; V161-A164 PolarHBondContact O-N 2.85Å; V161-V165 HydrophobicContact CG1-CG2 4.12Å; V161-V165 WeakPolarHBondContact O-CB 3.42Å; V161-V165 VanDerWaalsContact O-CG2 3.32Å; V161-V165 WeakPolarHBondContact O-CG2 3.3Å; V161-V165 PolarHBondContact O-N 3.48Å |
| 162 | R | 91.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 2% | 0.023 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.6 | -52.3 | -176.3 | -60.7 | -166.1 | 178.8 | -127.6 | 6.5 | 112.4 | H84 E108 M158 A164 V165 L166 | H84-R162 PolarHBondContact NE2-NH2 3.37Å; E108-R162 WeakPolarHBondContact OE1-CG 3.29Å; E108-R162 IonicContact OE1-CZ 3.65Å; E108-R162 IonicContact OE1-NE 3.62Å; E108-R162 PolarHBondContact OE1-NE 3.03Å; E108-R162 IonicContact OE1-NH2 2.86Å; E108-R162 PolarHBondContact OE1-NH2 3.01Å; E108-R162 IonicContact OE2-CZ 3.91Å; E108-R162 IonicContact OE2-NE 3.5Å; E108-R162 IonicContact OE2-NH2 2.8Å; E108-R162 PolarHBondContact OE2-NH2 2.87Å; M158-R162 VanDerWaalsContact CG-CD 3.46Å; M158-R162 HydrophobicContact CG-CG 3.87Å; M158-R162 WeakPolarHBondContact O-CG 3.4Å; M158-R162 PolarHBondContact O-N 2.98Å; R162-A164 PolarHBondContact O-N 3.42Å; R162-V165 PolarHBondContact O-N 2.94Å; R162-L166 VanDerWaalsContact O-CG 3.28Å; R162-L166 WeakPolarHBondContact O-CG 3.29Å; R162-L166 PolarHBondContact O-N 3.28Å |
| 163 | P | 92.1 | Very high | 91.4 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.6 | -39.7 | 175 | -25.9 | 36.3 | 0 | 0 | 0 | 112.9 | I159 L166 Y167 | I159-P163 VanDerWaalsContact O-CD 3.25Å; I159-P163 WeakPolarHBondContact O-CD 3.2Å; I159-P163 VanDerWaalsContact O-CG 3.29Å; I159-P163 WeakPolarHBondContact O-CG 3.45Å; P163-L166 PolarHBondContact O-N 3.45Å; P163-Y167 WeakPolarHBondContact O-CB 3.48Å; P163-Y167 PolarHBondContact O-N 3.48Å |
| 164 | A | 93.8 | Very high | 91.2 | Very high | 59 Ų | 59 | 71 Ų | 71 | 49% | 0.488 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F160 V161 R162 Y167 A168 | F160-A164 WeakPolarHBondContact O-CB 3.47Å; F160-A164 PolarHBondContact O-N 3.4Å; V161-A164 PolarHBondContact O-N 2.85Å; R162-A164 PolarHBondContact O-N 3.42Å; A164-Y167 PolarHBondContact O-N 3Å; A164-A168 VanDerWaalsContact O-CB 3.29Å; A164-A168 WeakPolarHBondContact O-CB 3.45Å; A164-A168 PolarHBondContact O-N 3.3Å |
| 165 | V | 92.7 | Very high | 91 | Very high | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | S100 A104 V161 R162 Y167 A168 F169 | S100-V165 WeakPolarHBondContact O-CG1 3.36Å; A104-V165 HydrophobicContact CB-CB 4.29Å; A104-V165 HydrophobicContact CB-CG1 4.26Å; A104-V165 HydrophobicContact CB-CG2 3.97Å; V161-V165 HydrophobicContact CG1-CG2 4.12Å; V161-V165 WeakPolarHBondContact O-CB 3.42Å; V161-V165 VanDerWaalsContact O-CG2 3.32Å; V161-V165 WeakPolarHBondContact O-CG2 3.3Å; V161-V165 PolarHBondContact O-N 3.48Å; R162-V165 PolarHBondContact O-N 2.94Å; V165-Y167 VanDerWaalsContact C-N 3.29Å; V165-Y167 PolarHBondContact O-N 3.18Å; V165-A168 PolarHBondContact O-N 3.46Å; V165-F169 HydrophobicContact CG1-CD2 3.73Å; V165-F169 HydrophobicContact CG1-CE2 4.17Å; V165-F169 WeakPolarHBondContact O-CB 3.4Å; V165-F169 WeakPolarHBondContact O-CD2 3.46Å; V165-F169 PolarHBondContact O-N 2.98Å |
| 166 | L | 91.7 | Very high | 90.8 | Very high | 24 Ų | 24 | 71.9 Ų | 71.9 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.2 | -63.8 | 178.6 | 0 | 0 | 0 | 111.8 | R162 P163 N170 V171 V176 I180 | R162-L166 VanDerWaalsContact O-CG 3.28Å; R162-L166 WeakPolarHBondContact O-CG 3.29Å; R162-L166 PolarHBondContact O-N 3.28Å; P163-L166 PolarHBondContact O-N 3.45Å; L166-N170 WeakPolarHBondContact O-CA 3.42Å; L166-N170 PolarHBondContact O-N 3.35Å; L166-N170 VanDerWaalsContact O-N 3.08Å; L166-V171 HydrophobicContact CD2-CB 3.75Å; L166-V171 HydrophobicContact CD2-CG1 3.78Å; L166-V171 PolarHBondContact O-N 3.36Å; L166-V176 HydrophobicContact CD1-CG2 3.8Å; L166-V176 HydrophobicContact CD2-CB 4.1Å; L166-V176 HydrophobicContact CD2-CG1 3.83Å; L166-V176 HydrophobicContact CD2-CG2 3.47Å; L166-V176 VanDerWaalsContact CD2-CG2 3.47Å; L166-V176 HydrophobicContact CG-CG2 4.27Å; L166-I180 HydrophobicContact CD1-CD1 4.09Å |
| 167 | Y | 93.1 | Very high | 90.6 | Very high | 199 Ų | 199 | 70 Ų | 70 | 78% | 0.78 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.8 | -49.7 | 175 | -178.6 | -101 | 0 | 0 | 0 | 111.7 | P163 A164 V165 F169 N170 | P163-Y167 WeakPolarHBondContact O-CB 3.48Å; P163-Y167 PolarHBondContact O-N 3.48Å; A164-Y167 PolarHBondContact O-N 3Å; V165-Y167 VanDerWaalsContact C-N 3.29Å; V165-Y167 PolarHBondContact O-N 3.18Å; Y167-F169 VanDerWaalsContact C-N 3.31Å; Y167-F169 PolarHBondContact O-N 3.08Å; Y167-N170 PolarHBondContact O-N 2.94Å |
| 168 | A | 94 | Very high | 90.4 | Very high | 70 Ų | 70 | 74.7 Ų | 74.7 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.7 | -35.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A164 V165 | A164-A168 VanDerWaalsContact O-CB 3.29Å; A164-A168 WeakPolarHBondContact O-CB 3.45Å; A164-A168 PolarHBondContact O-N 3.3Å; V165-A168 PolarHBondContact O-N 3.46Å |
| 169 | F | 91.9 | Very high | 90.2 | Very high | 78 Ų | 78 | 74.3 Ų | 74.3 | 34% | 0.342 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 5.2 | -178.1 | -72.7 | -85.1 | 0 | 0 | 0 | 113.6 | H96 L103 V165 Y167 V171 | H96-F169 PolarHBondContact CE1-O 3.29Å; H96-F169 AromaticContact NE2-CD1 3.71Å; H96-F169 PolarHBondContact NE2-O 2.92Å; L103-F169 HydrophobicContact CD2-CE2 3.74Å; L103-F169 HydrophobicContact CD2-CZ 3.59Å; V165-F169 HydrophobicContact CG1-CD2 3.73Å; V165-F169 HydrophobicContact CG1-CE2 4.17Å; V165-F169 WeakPolarHBondContact O-CB 3.4Å; V165-F169 WeakPolarHBondContact O-CD2 3.46Å; V165-F169 PolarHBondContact O-N 2.98Å; Y167-F169 VanDerWaalsContact C-N 3.31Å; Y167-F169 PolarHBondContact O-N 3.08Å; F169-V171 HydrophobicContact CB-CG2 3.82Å; F169-V171 PolarHBondContact O-N 3.41Å |
| 170 | N | 91.5 | Very high | 89.9 | Confident | 144 Ų | 144 | 71.2 Ų | 71.2 | 77% | 0.77 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38.9 | -175.8 | -68.6 | -55.7 | 0 | 0 | 0 | 113.2 | L166 Y167 | L166-N170 WeakPolarHBondContact O-CA 3.42Å; L166-N170 PolarHBondContact O-N 3.35Å; L166-N170 VanDerWaalsContact O-N 3.08Å; Y167-N170 PolarHBondContact O-N 2.94Å |
| 171 | V | 89.2 | Confident | 89.8 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | trans | -84.9 | 129.8 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 109 | H96 V97 L166 F169 D175 V176 | H96-V171 WeakPolarHBondContact CE1-CG2 3.34Å; V97-V171 HydrophobicContact CG1-CG1 4.13Å; V97-V171 HydrophobicContact CG2-CG1 4.13Å; L166-V171 HydrophobicContact CD2-CB 3.75Å; L166-V171 HydrophobicContact CD2-CG1 3.78Å; L166-V171 PolarHBondContact O-N 3.36Å; F169-V171 HydrophobicContact CB-CG2 3.82Å; F169-V171 PolarHBondContact O-N 3.41Å; V171-D175 HydrophobicContact CG1-CB 4.41Å; V171-V176 HydrophobicContact CG1-CG1 3.45Å; V171-V176 VanDerWaalsContact CG1-CG1 3.45Å | ||
| 172 | K | 88.4 | Confident | 89.6 | Confident | 140 Ų | 140 | 70.8 Ų | 70.8 | 61% | 0.609 | 37% | 0.366 | S | S | * | . | trans | -68.9 | 139.2 | 177.2 | -63.8 | -175.8 | 178.7 | -174.7 | 0 | 109.9 | D174 D175 | K172-D174 PolarHBondContact O-N 3.29Å; K172-D175 WeakPolarHBondContact O-CB 3.49Å; K172-D175 PolarHBondContact O-N 2.96Å | ||
| 173 | K | 86.5 | Confident | 89.3 | Confident | 144 Ų | 144 | 70.5 Ų | 70.5 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54.1 | -38.9 | 176.2 | -175.6 | -179.5 | 174.9 | -177.5 | 0 | 112.2 | D175 V176 S177 | K173-D175 VanDerWaalsContact C-N 3.26Å; K173-D175 PolarHBondContact O-N 3.22Å; K173-V176 VanDerWaalsContact O-CG2 3.3Å; K173-V176 WeakPolarHBondContact O-CG2 3.44Å; K173-V176 PolarHBondContact O-N 2.97Å; K173-S177 WeakPolarHBondContact O-CB 3.49Å; K173-S177 PolarHBondContact O-N 3.4Å |
| 174 | D | 87 | Confident | 89.2 | Confident | 130 Ų | 130 | 71.1 Ų | 71.1 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.8 | -33.4 | -179 | -55.4 | -28.5 | 0 | 0 | 0 | 112.2 | K172 V176 S177 | K172-D174 PolarHBondContact O-N 3.29Å; D174-V176 VanDerWaalsContact C-N 3.25Å; D174-V176 PolarHBondContact O-N 2.98Å; D174-S177 PolarHBondContact O-OG 2.82Å |
| 175 | D | 85.8 | Confident | 89 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.5 | -16.7 | -179.3 | -65.3 | -37.1 | 0 | 0 | 0 | 113.1 | R94 V97 V171 K172 K173 | R94-D175 IonicContact CZ-OD1 3.79Å; R94-D175 IonicContact CZ-OD2 3.89Å; R94-D175 VanDerWaalsContact NH1-CG 3.31Å; R94-D175 IonicContact NH1-OD1 3.2Å; R94-D175 PolarHBondContact NH1-OD1 3.27Å; R94-D175 IonicContact NH1-OD2 2.75Å; R94-D175 PolarHBondContact NH1-OD2 2.97Å; V97-D175 HydrophobicContact CG1-CB 4.45Å; V97-D175 HydrophobicContact CG2-CB 4.4Å; V171-D175 HydrophobicContact CG1-CB 4.41Å; K172-D175 WeakPolarHBondContact O-CB 3.49Å; K172-D175 PolarHBondContact O-N 2.96Å; K173-D175 VanDerWaalsContact C-N 3.26Å; K173-D175 PolarHBondContact O-N 3.22Å |
| 176 | V | 87.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -124.8 | -7 | -172.9 | -66.2 | 0 | 0 | 0 | 0 | 114.2 | M92 V97 Q101 L166 V171 K173 D174 D178 A179 I180 | M92-V176 HydrophobicContact CE-CG1 4.42Å; V97-V176 HydrophobicContact CG1-CG1 3.51Å; Q101-V176 HydrophobicContact CG-CG1 4.24Å; L166-V176 HydrophobicContact CD1-CG2 3.8Å; L166-V176 HydrophobicContact CD2-CB 4.1Å; L166-V176 HydrophobicContact CD2-CG1 3.83Å; L166-V176 HydrophobicContact CD2-CG2 3.47Å; L166-V176 VanDerWaalsContact CD2-CG2 3.47Å; L166-V176 HydrophobicContact CG-CG2 4.27Å; V171-V176 HydrophobicContact CG1-CG1 3.45Å; V171-V176 VanDerWaalsContact CG1-CG1 3.45Å; K173-V176 VanDerWaalsContact O-CG2 3.3Å; K173-V176 WeakPolarHBondContact O-CG2 3.44Å; K173-V176 PolarHBondContact O-N 2.97Å; D174-V176 VanDerWaalsContact C-N 3.25Å; D174-V176 PolarHBondContact O-N 2.98Å; V176-D178 VanDerWaalsContact C-N 3.26Å; V176-D178 PolarHBondContact O-N 3.15Å; V176-A179 PolarHBondContact O-N 3.36Å; V176-I180 HydrophobicContact CG2-CD1 3.89Å; V176-I180 PolarHBondContact O-N 3.33Å; V176-I180 VanDerWaalsContact O-N 3.11Å |
| 177 | S | 88.2 | Confident | 89.1 | Confident | 28 Ų | 28 | 76.3 Ų | 76.3 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -52.9 | -45.4 | -173 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | K173 D174 A179 I180 Y181 | K173-S177 WeakPolarHBondContact O-CB 3.49Å; K173-S177 PolarHBondContact O-N 3.4Å; D174-S177 PolarHBondContact O-OG 2.82Å; S177-A179 VanDerWaalsContact C-N 3.31Å; S177-A179 PolarHBondContact O-N 2.93Å; S177-I180 PolarHBondContact O-N 3.26Å; S177-I180 VanDerWaalsContact O-N 3.15Å; S177-Y181 WeakPolarHBondContact O-CD2 3.46Å; S177-Y181 PolarHBondContact O-N 2.85Å |
| 178 | D | 87.2 | Confident | 89.1 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.3 | -41.4 | 176.6 | -65.2 | -20.8 | 0 | 0 | 0 | 113.2 | F87 V176 A182 | F87-D178 HydrophobicContact CE1-CB 4.47Å; F87-D178 HydrophobicContact CZ-CB 4.39Å; V176-D178 VanDerWaalsContact C-N 3.26Å; V176-D178 PolarHBondContact O-N 3.15Å; D178-A182 VanDerWaalsContact O-CB 3.26Å; D178-A182 WeakPolarHBondContact O-CB 3.4Å; D178-A182 PolarHBondContact O-N 3.23Å |
| 179 | A | 86 | Confident | 89.2 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.8 | -33.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F87 M92 V176 S177 A183 | F87-A179 HydrophobicContact CD1-CB 3.95Å; F87-A179 VanDerWaalsContact CE1-CA 3.42Å; F87-A179 HydrophobicContact CE1-CB 3.79Å; M92-A179 HydrophobicContact CE-CB 3.21Å; V176-A179 PolarHBondContact O-N 3.36Å; S177-A179 VanDerWaalsContact C-N 3.31Å; S177-A179 PolarHBondContact O-N 2.93Å; A179-A183 WeakPolarHBondContact O-CB 3.5Å; A179-A183 PolarHBondContact O-N 2.86Å |
| 180 | I | 85.3 | Confident | 89.3 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.9 | -46 | 174.5 | -62.1 | 170.1 | 0 | 0 | 0 | 109.6 | L166 V176 S177 A183 L184 | L166-I180 HydrophobicContact CD1-CD1 4.09Å; V176-I180 HydrophobicContact CG2-CD1 3.89Å; V176-I180 PolarHBondContact O-N 3.33Å; V176-I180 VanDerWaalsContact O-N 3.11Å; S177-I180 PolarHBondContact O-N 3.26Å; S177-I180 VanDerWaalsContact O-N 3.15Å; I180-A183 WeakPolarHBondContact O-CB 3.27Å; I180-A183 PolarHBondContact O-N 3.43Å; I180-L184 PolarHBondContact O-N 3.04Å |
| 181 | Y | 88.8 | Confident | 89.5 | Confident | 130 Ų | 130 | 62 Ų | 62 | 51% | 0.51 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.9 | -72.9 | -63.5 | 0 | 0 | 0 | 111.9 | S177 A183 L184 Y185 | S177-Y181 WeakPolarHBondContact O-CD2 3.46Å; S177-Y181 PolarHBondContact O-N 2.85Å; Y181-A183 VanDerWaalsContact C-N 3.27Å; Y181-A183 PolarHBondContact O-N 3.22Å; Y181-L184 PolarHBondContact O-N 3.48Å; Y181-L184 VanDerWaalsContact O-N 3.15Å; Y181-Y185 WeakPolarHBondContact O-CD2 3.26Å; Y181-Y185 PolarHBondContact O-N 2.99Å |
| 182 | A | 88.8 | Confident | 89.8 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.9 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F87 D178 Y185 L186 | F87-A182 HydrophobicContact CD1-CB 4.23Å; F87-A182 HydrophobicContact CD2-CB 4.05Å; F87-A182 HydrophobicContact CE1-CB 3.88Å; F87-A182 HydrophobicContact CE2-CB 3.65Å; F87-A182 HydrophobicContact CG-CB 4.31Å; F87-A182 HydrophobicContact CZ-CB 3.55Å; D178-A182 VanDerWaalsContact O-CB 3.26Å; D178-A182 WeakPolarHBondContact O-CB 3.4Å; D178-A182 PolarHBondContact O-N 3.23Å; A182-Y185 PolarHBondContact O-N 3.49Å; A182-L186 VanDerWaalsContact O-CB 3.24Å; A182-L186 WeakPolarHBondContact O-CB 3.39Å; A182-L186 PolarHBondContact O-N 2.84Å |
| 183 | A | 86 | Confident | 90.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -49 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H84 M158 A179 I180 Y181 Y185 L186 Y187 | H84-A183 VanDerWaalsContact CE1-CA 3.44Å; H84-A183 WeakPolarHBondContact CE1-CA 3.24Å; H84-A183 WeakPolarHBondContact CE1-CB 3.33Å; M158-A183 HydrophobicContact CE-CB 3.41Å; M158-A183 VanDerWaalsContact CE-CB 3.41Å; M158-A183 HydrophobicContact SD-CB 3.58Å; M158-A183 VanDerWaalsContact SD-CB 3.58Å; A179-A183 WeakPolarHBondContact O-CB 3.5Å; A179-A183 PolarHBondContact O-N 2.86Å; I180-A183 WeakPolarHBondContact O-CB 3.27Å; I180-A183 PolarHBondContact O-N 3.43Å; Y181-A183 VanDerWaalsContact C-N 3.27Å; Y181-A183 PolarHBondContact O-N 3.22Å; A183-Y185 PolarHBondContact O-N 3.27Å; A183-L186 WeakPolarHBondContact O-CB 3.12Å; A183-L186 PolarHBondContact O-N 3.02Å; A183-L186 VanDerWaalsContact O-N 3.09Å; A183-Y187 VanDerWaalsContact O-CD2 3.29Å; A183-Y187 WeakPolarHBondContact O-CD2 3.26Å; A183-Y187 PolarHBondContact O-N 3.04Å |
| 184 | L | 89.2 | Confident | 90.5 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -31.5 | -177.8 | -171.3 | 62.3 | 0 | 0 | 0 | 112.8 | L155 I180 Y181 P188 | L155-L184 HydrophobicContact CD1-CD1 4.04Å; I180-L184 PolarHBondContact O-N 3.04Å; Y181-L184 PolarHBondContact O-N 3.48Å; Y181-L184 VanDerWaalsContact O-N 3.15Å; L184-P188 WeakPolarHBondContact O-CD 3.33Å; L184-P188 WeakPolarHBondContact O-CG 3.07Å |
| 185 | Y | 91.5 | Very high | 90.9 | Very high | 175 Ų | 175 | 52.1 Ų | 52.1 | 69% | 0.686 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -82.5 | -31.8 | 173 | -74.3 | -67 | 0 | 0 | 0 | 113.5 | Y181 A182 A183 A189 | Y181-Y185 WeakPolarHBondContact O-CD2 3.26Å; Y181-Y185 PolarHBondContact O-N 2.99Å; A182-Y185 PolarHBondContact O-N 3.49Å; A183-Y185 PolarHBondContact O-N 3.27Å; Y185-A189 WeakPolarHBondContact O-CB 3.34Å; Y185-A189 PolarHBondContact O-N 3.36Å |
| 186 | L | 93 | Very high | 91.3 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -50.9 | -178.3 | 179 | 69.5 | 0 | 0 | 0 | 112.2 | P80 H83 A182 A183 A189 L190 | P80-L186 HydrophobicContact CB-CD2 4.27Å; H83-L186 HydrophobicContact CB-CD1 4.44Å; H83-L186 HydrophobicContact CB-CD2 3.91Å; H83-L186 WeakPolarHBondContact ND1-CD2 3.22Å; A182-L186 VanDerWaalsContact O-CB 3.24Å; A182-L186 WeakPolarHBondContact O-CB 3.39Å; A182-L186 PolarHBondContact O-N 2.84Å; A183-L186 WeakPolarHBondContact O-CB 3.12Å; A183-L186 PolarHBondContact O-N 3.02Å; A183-L186 VanDerWaalsContact O-N 3.09Å; L186-A189 PolarHBondContact O-N 3.42Å; L186-L190 HydrophobicContact CD1-CD1 4.04Å; L186-L190 HydrophobicContact CD1-CD2 4.47Å; L186-L190 HydrophobicContact CD1-CG 4.04Å; L186-L190 HydrophobicContact CD2-CD1 4.42Å; L186-L190 HydrophobicContact CG-CD1 3.89Å; L186-L190 HydrophobicContact CG-CG 4.22Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 2.87Å |
| 187 | Y | 92.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -50.1 | -174.5 | -75.3 | -85.2 | 0 | 0 | 0 | 113.1 | P80 H84 Y151 S154 L155 M158 A183 A189 L190 I191 | P80-Y187 HydrophobicContact CB-CE1 3.92Å; P80-Y187 HydrophobicContact CG-CE1 3.99Å; H84-Y187 AromaticContact NE2-CE2 3.89Å; Y151-Y187 HydrophobicContact CD1-CD1 4.14Å; Y151-Y187 HydrophobicContact CD1-CE1 4.19Å; Y151-Y187 HydrophobicContact CG-CD1 4.24Å; S154-Y187 WeakPolarHBondContact CB-OH 3.26Å; L155-Y187 HydrophobicContact CD1-CD2 4.41Å; M158-Y187 HydrophobicContact CE-CD2 3.4Å; M158-Y187 HydrophobicContact CE-CE2 3.11Å; A183-Y187 VanDerWaalsContact O-CD2 3.29Å; A183-Y187 WeakPolarHBondContact O-CD2 3.26Å; A183-Y187 PolarHBondContact O-N 3.04Å; Y187-A189 VanDerWaalsContact C-N 3.29Å; Y187-A189 PolarHBondContact O-N 2.75Å; Y187-L190 PolarHBondContact O-N 3.07Å; Y187-I191 VanDerWaalsContact O-CG1 3.29Å; Y187-I191 WeakPolarHBondContact O-CG1 3.4Å; Y187-I191 PolarHBondContact O-N 3.29Å |
| 188 | P | 93.4 | Very high | 92 | Very high | 61 Ų | 61 | 58.3 Ų | 58.3 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 174 | -25.2 | 35.6 | 0 | 0 | 0 | 113 | L184 I191 V192 | L184-P188 WeakPolarHBondContact O-CD 3.33Å; L184-P188 WeakPolarHBondContact O-CG 3.07Å; P188-I191 PolarHBondContact O-N 2.92Å; P188-V192 WeakPolarHBondContact O-CG2 3.3Å; P188-V192 PolarHBondContact O-N 2.91Å |
| 189 | A | 94.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 48% | 0.479 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y185 L186 Y187 I191 V192 L193 | Y185-A189 WeakPolarHBondContact O-CB 3.34Å; Y185-A189 PolarHBondContact O-N 3.36Å; L186-A189 PolarHBondContact O-N 3.42Å; Y187-A189 VanDerWaalsContact C-N 3.29Å; Y187-A189 PolarHBondContact O-N 2.75Å; A189-I191 VanDerWaalsContact C-N 3.35Å; A189-V192 PolarHBondContact O-N 2.69Å; A189-L193 VanDerWaalsContact O-CB 3.27Å; A189-L193 WeakPolarHBondContact O-CB 3.27Å; A189-L193 PolarHBondContact O-N 3.25Å |
| 190 | L | 95.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 175.4 | -70.5 | -179.5 | 0 | 0 | 0 | 112.3 | L79 P80 Y151 L186 Y187 L193 H194 | L79-L190 HydrophobicContact CD2-CD1 4.04Å; L79-L190 HydrophobicContact CD2-CD2 3.43Å; L79-L190 VanDerWaalsContact CD2-CD2 3.43Å; L79-L190 HydrophobicContact CD2-CG 4.37Å; P80-L190 HydrophobicContact CB-CD1 4.44Å; P80-L190 HydrophobicContact CG-CD1 3.91Å; Y151-L190 HydrophobicContact CD2-CB 4.26Å; Y151-L190 HydrophobicContact CE1-CD1 4.35Å; Y151-L190 HydrophobicContact CE2-CB 3.89Å; L186-L190 HydrophobicContact CD1-CD1 4.04Å; L186-L190 HydrophobicContact CD1-CD2 4.47Å; L186-L190 HydrophobicContact CD1-CG 4.04Å; L186-L190 HydrophobicContact CD2-CD1 4.42Å; L186-L190 HydrophobicContact CG-CD1 3.89Å; L186-L190 HydrophobicContact CG-CG 4.22Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 2.87Å; Y187-L190 PolarHBondContact O-N 3.07Å; L190-L193 PolarHBondContact O-N 3.3Å; L190-H194 VanDerWaalsContact O-CB 3.3Å; L190-H194 WeakPolarHBondContact O-CB 3.47Å; L190-H194 PolarHBondContact O-N 2.68Å |
| 191 | I | 94.4 | Very high | 93.1 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 174.5 | -73 | 167.2 | 0 | 0 | 0 | 110.2 | F148 Y151 Y187 P188 A189 L193 H194 A195 | F148-I191 HydrophobicContact CD1-CB 4.35Å; F148-I191 HydrophobicContact CD1-CG1 4.25Å; F148-I191 HydrophobicContact CD1-CG2 3.84Å; F148-I191 HydrophobicContact CE1-CB 4.47Å; F148-I191 HydrophobicContact CE1-CG2 3.87Å; F148-I191 WeakPolarHBondContact CE1-O 3.38Å; Y151-I191 HydrophobicContact CD2-CG1 3.92Å; Y151-I191 HydrophobicContact CG-CG1 4.45Å; Y187-I191 VanDerWaalsContact O-CG1 3.29Å; Y187-I191 WeakPolarHBondContact O-CG1 3.4Å; Y187-I191 PolarHBondContact O-N 3.29Å; P188-I191 PolarHBondContact O-N 2.92Å; A189-I191 VanDerWaalsContact C-N 3.35Å; I191-L193 VanDerWaalsContact C-N 3.34Å; I191-L193 PolarHBondContact O-N 3.4Å; I191-H194 PolarHBondContact O-N 2.86Å; I191-A195 VanDerWaalsContact O-CB 3.3Å; I191-A195 WeakPolarHBondContact O-CB 3.42Å; I191-A195 PolarHBondContact O-N 3.2Å |
| 192 | V | 96 | Very high | 93.3 | Very high | 93 Ų | 93 | 55.2 Ų | 55.2 | 56% | 0.564 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | P188 A189 H194 A195 V196 | P188-V192 WeakPolarHBondContact O-CG2 3.3Å; P188-V192 PolarHBondContact O-N 2.91Å; A189-V192 PolarHBondContact O-N 2.69Å; V192-H194 PolarHBondContact O-N 2.99Å; V192-A195 PolarHBondContact O-N 3.4Å; V192-V196 WeakPolarHBondContact O-CG2 3.41Å; V192-V196 PolarHBondContact O-N 3.32Å; V192-V196 VanDerWaalsContact O-N 3.09Å |
| 193 | L | 95.4 | Very high | 93.4 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 177.8 | -173.5 | 71.7 | 0 | 0 | 0 | 111.4 | A189 L190 I191 V196 L197 I201 | A189-L193 VanDerWaalsContact O-CB 3.27Å; A189-L193 WeakPolarHBondContact O-CB 3.27Å; A189-L193 PolarHBondContact O-N 3.25Å; L190-L193 PolarHBondContact O-N 3.3Å; I191-L193 VanDerWaalsContact C-N 3.34Å; I191-L193 PolarHBondContact O-N 3.4Å; L193-V196 PolarHBondContact O-N 3.36Å; L193-L197 HydrophobicContact CD1-CD1 3.64Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 PolarHBondContact O-N 3.19Å; L193-I201 HydrophobicContact CG-CD1 4.2Å |
| 194 | H | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 177.4 | -175.5 | 52.5 | 0 | 0 | 0 | 111.9 | Y72 Y144 F148 L190 I191 V192 V196 C198 | Y72-H194 PolarHBondContact OH-CE1 2.69Å; Y144-H194 PolarHBondContact O-NE2 3.15Å; F148-H194 AromaticContact CD2-CD2 3.98Å; F148-H194 HydrophobicContact CE1-CB 4.38Å; F148-H194 AromaticContact CE1-CD2 3.82Å; F148-H194 AromaticContact CE2-CD2 3.49Å; F148-H194 VanDerWaalsContact CE2-CD2 3.49Å; F148-H194 WeakPolarHBondContact CE2-CD2 3.38Å; F148-H194 AromaticContact CE2-NE2 3.88Å; F148-H194 HydrophobicContact CZ-CB 4.45Å; F148-H194 AromaticContact CZ-CD2 3.4Å; F148-H194 VanDerWaalsContact CZ-CD2 3.4Å; F148-H194 WeakPolarHBondContact CZ-CD2 3.29Å; L190-H194 VanDerWaalsContact O-CB 3.3Å; L190-H194 WeakPolarHBondContact O-CB 3.47Å; L190-H194 PolarHBondContact O-N 2.68Å; I191-H194 PolarHBondContact O-N 2.86Å; V192-H194 PolarHBondContact O-N 2.99Å; H194-V196 VanDerWaalsContact C-N 3.3Å; H194-V196 PolarHBondContact O-N 3.06Å; H194-C198 VanDerWaalsContact CE1-CB 3.5Å; H194-C198 WeakPolarHBondContact CE1-CB 3.27Å; H194-C198 VanDerWaalsContact O-CA 3.32Å; H194-C198 WeakPolarHBondContact O-CA 3.48Å; H194-C198 WeakPolarHBondContact O-CB 3.42Å; H194-C198 PolarHBondContact O-N 2.96Å |
| 195 | A | 94.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F148 I191 V192 | F148-A195 HydrophobicContact CE1-CB 4.04Å; F148-A195 HydrophobicContact CZ-CB 3.88Å; I191-A195 VanDerWaalsContact O-CB 3.3Å; I191-A195 WeakPolarHBondContact O-CB 3.42Å; I191-A195 PolarHBondContact O-N 3.2Å; V192-A195 PolarHBondContact O-N 3.4Å |
| 196 | V | 95.7 | Very high | 94.3 | Very high | 110 Ų | 110 | 46.5 Ų | 46.5 | 67% | 0.667 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -88.5 | -36.8 | -177.7 | 180 | 0 | 0 | 0 | 0 | 112.1 | V192 L193 H194 | V192-V196 WeakPolarHBondContact O-CG2 3.41Å; V192-V196 PolarHBondContact O-N 3.32Å; V192-V196 VanDerWaalsContact O-N 3.09Å; L193-V196 PolarHBondContact O-N 3.36Å; H194-V196 VanDerWaalsContact C-N 3.3Å; H194-V196 PolarHBondContact O-N 3.06Å |
| 197 | L | 95.7 | Very high | 94.4 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 37% | 0.366 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -115.7 | 13.5 | -168.9 | -57.6 | -179.5 | 0 | 0 | 0 | 114.2 | L193 G199 V200 I201 | L193-L197 HydrophobicContact CD1-CD1 3.64Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 PolarHBondContact O-N 3.19Å; L197-G199 VanDerWaalsContact C-N 3.31Å; L197-G199 PolarHBondContact O-N 3.49Å; L197-G199 VanDerWaalsContact O-N 3.12Å; L197-V200 HydrophobicContact CB-CB 4.41Å; L197-V200 CarbonylContact O-C 3.46Å; L197-V200 WeakPolarHBondContact O-CA 3.25Å; L197-V200 WeakPolarHBondContact O-CB 3.21Å; L197-V200 PolarHBondContact O-N 3.43Å; L197-I201 HydrophobicContact CB-CD1 4.05Å; L197-I201 HydrophobicContact CB-CG1 4.06Å; L197-I201 WeakPolarHBondContact O-CG1 3.31Å; L197-I201 PolarHBondContact O-N 2.98Å |
| 198 | C | 93.6 | Very high | 94.5 | Very high | 36 Ų | 36 | 55 Ų | 55 | 24% | 0.243 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -46.4 | -48.8 | -174.4 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | Y144 H194 I201 Y202 | Y144-C198 HydrophobicContact CD2-CB 3.53Å; Y144-C198 WeakPolarHBondContact CD2-SG 3.28Å; Y144-C198 HydrophobicContact CE2-CB 3.78Å; Y144-C198 VanDerWaalsContact CE2-SG 3.51Å; H194-C198 VanDerWaalsContact CE1-CB 3.5Å; H194-C198 WeakPolarHBondContact CE1-CB 3.27Å; H194-C198 VanDerWaalsContact O-CA 3.32Å; H194-C198 WeakPolarHBondContact O-CA 3.48Å; H194-C198 WeakPolarHBondContact O-CB 3.42Å; H194-C198 PolarHBondContact O-N 2.96Å; C198-I201 PolarHBondContact O-N 3.41Å; C198-Y202 WeakPolarHBondContact O-CB 3.36Å; C198-Y202 PolarHBondContact O-N 3.02Å |
| 199 | G | 90.9 | Very high | 94.5 | Very high | 46 Ų | 46 | 53 Ų | 53 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L197 S203 | L197-G199 VanDerWaalsContact C-N 3.31Å; L197-G199 PolarHBondContact O-N 3.49Å; L197-G199 VanDerWaalsContact O-N 3.12Å; G199-S203 PolarHBondContact O-N 3.48Å; G199-S203 VanDerWaalsContact O-N 3.09Å; G199-S203 PolarHBondContact O-OG 2.98Å |
| 200 | V | 94.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 53% | 0.533 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 174.5 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | L197 S203 A204 | L197-V200 HydrophobicContact CB-CB 4.41Å; L197-V200 CarbonylContact O-C 3.46Å; L197-V200 WeakPolarHBondContact O-CA 3.25Å; L197-V200 WeakPolarHBondContact O-CB 3.21Å; L197-V200 PolarHBondContact O-N 3.43Å; V200-S203 PolarHBondContact O-N 2.97Å; V200-S203 PolarHBondContact O-OG 3.17Å; V200-A204 WeakPolarHBondContact O-CB 3.38Å; V200-A204 PolarHBondContact O-N 3.43Å |
| 201 | I | 95.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 58.3 Ų | 58.3 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 178.8 | -57.7 | 163.9 | 0 | 0 | 0 | 110.1 | F75 M76 L193 L197 C198 S203 A204 F205 | F75-I201 HydrophobicContact CE1-CG2 3.85Å; M76-I201 HydrophobicContact CE-CB 4.03Å; M76-I201 HydrophobicContact CE-CD1 4.26Å; M76-I201 HydrophobicContact CE-CG2 3.32Å; L193-I201 HydrophobicContact CG-CD1 4.2Å; L197-I201 HydrophobicContact CB-CD1 4.05Å; L197-I201 HydrophobicContact CB-CG1 4.06Å; L197-I201 WeakPolarHBondContact O-CG1 3.31Å; L197-I201 PolarHBondContact O-N 2.98Å; C198-I201 PolarHBondContact O-N 3.41Å; I201-S203 VanDerWaalsContact C-N 3.28Å; I201-S203 PolarHBondContact O-N 3.26Å; I201-A204 PolarHBondContact O-N 3.46Å; I201-F205 WeakPolarHBondContact O-CB 3.4Å; I201-F205 PolarHBondContact O-N 3.21Å |
| 202 | Y | 93.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 24% | 0.239 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 178.3 | 179 | -102.7 | 0 | 0 | 0 | 112.5 | Y68 H69 Y72 L143 C198 F205 | Y68-Y202 AromaticContact CD1-CE2 3.98Å; Y68-Y202 HydrophobicContact CD1-CE2 3.98Å; Y68-Y202 AromaticContact CD1-CZ 3.76Å; Y68-Y202 WeakPolarHBondContact CD1-OH 3.36Å; Y68-Y202 HydrophobicContact CE1-CD1 4.5Å; Y68-Y202 HydrophobicContact CE1-CD2 4.3Å; Y68-Y202 AromaticContact CE1-CE1 3.87Å; Y68-Y202 HydrophobicContact CE1-CE1 3.87Å; Y68-Y202 AromaticContact CE1-CE2 3.62Å; Y68-Y202 HydrophobicContact CE1-CE2 3.62Å; Y68-Y202 AromaticContact CE1-CZ 3.39Å; Y68-Y202 WeakPolarHBondContact CE1-OH 3.39Å; Y68-Y202 PolarHBondContact OH-O 3.26Å; H69-Y202 PolarHBondContact CD2-OH 3.09Å; H69-Y202 PolarHBondContact NE2-OH 2.69Å; Y72-Y202 AromaticContact CD1-CD2 3.83Å; Y72-Y202 HydrophobicContact CD1-CD2 3.83Å; Y72-Y202 HydrophobicContact CD1-CE2 4.15Å; Y72-Y202 AromaticContact CD2-CD2 3.64Å; Y72-Y202 HydrophobicContact CD2-CD2 3.64Å; Y72-Y202 HydrophobicContact CD2-CE2 4.43Å; Y72-Y202 HydrophobicContact CD2-CG 4.48Å; Y72-Y202 HydrophobicContact CE1-CD2 4.02Å; Y72-Y202 AromaticContact CE2-CD2 3.82Å; Y72-Y202 HydrophobicContact CE2-CD2 3.82Å; Y72-Y202 HydrophobicContact CE2-CG 4.4Å; Y72-Y202 AromaticContact CG-CD2 3.61Å; Y72-Y202 HydrophobicContact CG-CD2 3.61Å; Y72-Y202 AromaticContact CG-CE2 4Å; Y72-Y202 HydrophobicContact CG-CE2 4Å; Y72-Y202 AromaticContact CZ-CD2 3.99Å; L143-Y202 HydrophobicContact CD1-CE2 3.74Å; C198-Y202 WeakPolarHBondContact O-CB 3.36Å; C198-Y202 PolarHBondContact O-N 3.02Å; Y202-F205 WeakPolarHBondContact O-CD1 3.47Å |
| 203 | S | 92.2 | Very high | 94.1 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -82 | -31.3 | 177.3 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | G199 V200 I201 | G199-S203 PolarHBondContact O-N 3.48Å; G199-S203 VanDerWaalsContact O-N 3.09Å; G199-S203 PolarHBondContact O-OG 2.98Å; V200-S203 PolarHBondContact O-N 2.97Å; V200-S203 PolarHBondContact O-OG 3.17Å; I201-S203 VanDerWaalsContact C-N 3.28Å; I201-S203 PolarHBondContact O-N 3.26Å |
| 204 | A | 95.3 | Very high | 94 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -95.6 | -18.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V200 I201 P206 F207 V208 | V200-A204 WeakPolarHBondContact O-CB 3.38Å; V200-A204 PolarHBondContact O-N 3.43Å; I201-A204 PolarHBondContact O-N 3.46Å; A204-P206 VanDerWaalsContact C-N 3.29Å; A204-P206 WeakPolarHBondContact O-CD 3.49Å; A204-P206 VanDerWaalsContact O-N 3.13Å; A204-F207 PolarHBondContact O-N 2.9Å; A204-V208 WeakPolarHBondContact O-CG2 3.41Å; A204-V208 PolarHBondContact O-N 3.48Å |
| 205 | F | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52.2 | -36.8 | -175.2 | 86.8 | -88.9 | 0 | 0 | 0 | 114.5 | Y68 L71 Y72 F75 I201 Y202 F207 V208 L209 S259 | Y68-F205 HydrophobicContact CD1-CE1 4.43Å; Y68-F205 HydrophobicContact CD2-CZ 4.43Å; Y68-F205 AromaticContact CE1-CE1 3.72Å; Y68-F205 HydrophobicContact CE1-CE1 3.72Å; Y68-F205 HydrophobicContact CE1-CZ 4.38Å; Y68-F205 AromaticContact CE2-CE1 3.91Å; Y68-F205 HydrophobicContact CE2-CE1 3.91Å; Y68-F205 HydrophobicContact CE2-CZ 4.07Å; Y68-F205 AromaticContact CZ-CE1 3.44Å; Y68-F205 VanDerWaalsContact CZ-CE1 3.44Å; L71-F205 HydrophobicContact CB-CE2 4.49Å; L71-F205 HydrophobicContact CB-CZ 4.46Å; Y72-F205 AromaticContact CD2-CD1 3.71Å; Y72-F205 HydrophobicContact CD2-CD1 3.71Å; Y72-F205 HydrophobicContact CD2-CE1 4.02Å; Y72-F205 HydrophobicContact CD2-CG 4.28Å; Y72-F205 HydrophobicContact CG-CD1 4.47Å; Y72-F205 HydrophobicContact CG-CE1 4.34Å; F75-F205 HydrophobicContact CB-CD2 4.09Å; F75-F205 HydrophobicContact CD1-CB 3.71Å; F75-F205 HydrophobicContact CD1-CD2 4.23Å; F75-F205 HydrophobicContact CD1-CG 4.11Å; F75-F205 HydrophobicContact CE1-CB 3.67Å; F75-F205 HydrophobicContact CG-CB 4.24Å; F75-F205 HydrophobicContact CG-CD2 4.07Å; F75-F205 HydrophobicContact CG-CG 4.41Å; F75-F205 HydrophobicContact CZ-CB 4.16Å; I201-F205 WeakPolarHBondContact O-CB 3.4Å; I201-F205 PolarHBondContact O-N 3.21Å; Y202-F205 WeakPolarHBondContact O-CD1 3.47Å; F205-F207 VanDerWaalsContact C-N 3.28Å; F205-F207 PolarHBondContact O-N 3.41Å; F205-V208 PolarHBondContact O-N 2.95Å; F205-L209 HydrophobicContact CD2-CD1 3.86Å; F205-L209 HydrophobicContact CD2-CG 4.44Å; F205-L209 HydrophobicContact CE2-CD1 4.3Å; F205-L209 WeakPolarHBondContact O-CB 3.44Å; F205-L209 WeakPolarHBondContact O-CG 3.29Å; F205-L209 PolarHBondContact O-N 2.9Å; F205-S259 VanDerWaalsContact CE2-OG 3.31Å; F205-S259 WeakPolarHBondContact CE2-OG 3.38Å; F205-S259 WeakPolarHBondContact CZ-OG 3.28Å |
| 206 | P | 94.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -37.9 | -178.7 | -20.7 | 35.6 | 0 | 0 | 0 | 111.3 | Y68 A204 L210 I260 | Y68-P206 HydrophobicContact CE2-CG 3.93Å; A204-P206 VanDerWaalsContact C-N 3.29Å; A204-P206 WeakPolarHBondContact O-CD 3.49Å; A204-P206 VanDerWaalsContact O-N 3.13Å; P206-L210 VanDerWaalsContact O-CB 3.32Å; P206-L210 WeakPolarHBondContact O-CB 3.4Å; P206-L210 PolarHBondContact O-N 3.45Å; P206-I260 HydrophobicContact CB-CD1 4.32Å; P206-I260 HydrophobicContact CB-CG1 3.5Å |
| 207 | F | 94.5 | Very high | 93.7 | Very high | 124 Ų | 124 | 52.5 Ų | 52.5 | 54% | 0.544 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.9 | -38.1 | 177.6 | -54.7 | -70.5 | 0 | 0 | 0 | 111.8 | A204 F205 L210 F211 I260 | A204-F207 PolarHBondContact O-N 2.9Å; F205-F207 VanDerWaalsContact C-N 3.28Å; F205-F207 PolarHBondContact O-N 3.41Å; F207-L210 PolarHBondContact O-N 3.47Å; F207-F211 VanDerWaalsContact O-CB 3.3Å; F207-F211 WeakPolarHBondContact O-CB 3.46Å; F207-F211 PolarHBondContact O-N 3.2Å; F207-I260 HydrophobicContact CD1-CD1 4.09Å; F207-I260 HydrophobicContact CD1-CG1 4.43Å; F207-I260 HydrophobicContact CE1-CD1 4.18Å; F207-I260 HydrophobicContact CE1-CG1 4.2Å |
| 208 | V | 94.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 174 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | A204 F205 F211 A212 | A204-V208 WeakPolarHBondContact O-CG2 3.41Å; A204-V208 PolarHBondContact O-N 3.48Å; F205-V208 PolarHBondContact O-N 2.95Å; V208-F211 PolarHBondContact O-N 3.18Å; V208-A212 VanDerWaalsContact O-CB 3.25Å; V208-A212 WeakPolarHBondContact O-CB 3.3Å; V208-A212 PolarHBondContact O-N 3.28Å |
| 209 | L | 94 | Very high | 93.4 | Very high | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.1 | -75.3 | -175.6 | 0 | 0 | 0 | 112 | F75 F205 A212 A213 I252 D255 A256 | F75-L209 HydrophobicContact CB-CD1 4.37Å; F75-L209 HydrophobicContact CD2-CD1 3.94Å; F75-L209 HydrophobicContact CD2-CD2 3.53Å; F75-L209 HydrophobicContact CD2-CG 3.81Å; F75-L209 HydrophobicContact CE2-CD2 3.69Å; F75-L209 HydrophobicContact CE2-CG 4.08Å; F75-L209 HydrophobicContact CG-CD1 4.41Å; F205-L209 HydrophobicContact CD2-CD1 3.86Å; F205-L209 HydrophobicContact CD2-CG 4.44Å; F205-L209 HydrophobicContact CE2-CD1 4.3Å; F205-L209 WeakPolarHBondContact O-CB 3.44Å; F205-L209 WeakPolarHBondContact O-CG 3.29Å; F205-L209 PolarHBondContact O-N 2.9Å; L209-A212 PolarHBondContact O-N 2.99Å; L209-A213 VanDerWaalsContact O-CB 3.32Å; L209-A213 WeakPolarHBondContact O-CB 3.43Å; L209-A213 PolarHBondContact O-N 3.01Å; L209-I252 HydrophobicContact CB-CG2 4.31Å; L209-I252 HydrophobicContact CD2-CG2 4Å; L209-D255 HydrophobicContact CD1-CB 4.46Å; L209-A256 HydrophobicContact CB-CB 3.8Å |
| 210 | L | 93.1 | Very high | 93.4 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 177.9 | -179 | 62.6 | 0 | 0 | 0 | 111.2 | P206 F207 A213 I214 Y253 A256 I260 | P206-L210 VanDerWaalsContact O-CB 3.32Å; P206-L210 WeakPolarHBondContact O-CB 3.4Å; P206-L210 PolarHBondContact O-N 3.45Å; F207-L210 PolarHBondContact O-N 3.47Å; L210-A213 PolarHBondContact O-N 3Å; L210-I214 HydrophobicContact CD1-CD1 4.11Å; L210-I214 HydrophobicContact CG-CD1 4.04Å; L210-I214 VanDerWaalsContact O-CG1 3.31Å; L210-I214 WeakPolarHBondContact O-CG1 3.25Å; L210-I214 PolarHBondContact O-N 2.94Å; L210-Y253 HydrophobicContact CD1-CD2 3.94Å; L210-Y253 HydrophobicContact CD1-CE2 3.53Å; L210-A256 HydrophobicContact CB-CB 3.95Å; L210-I260 HydrophobicContact CB-CD1 4.32Å; L210-I260 HydrophobicContact CD2-CD1 3.74Å |
| 211 | F | 93.8 | Very high | 93.3 | Very high | 146 Ų | 146 | 49.4 Ų | 49.4 | 64% | 0.64 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 178.8 | -178.4 | -101.5 | 0 | 0 | 0 | 111.3 | F207 V208 A213 I214 C215 | F207-F211 VanDerWaalsContact O-CB 3.3Å; F207-F211 WeakPolarHBondContact O-CB 3.46Å; F207-F211 PolarHBondContact O-N 3.2Å; V208-F211 PolarHBondContact O-N 3.18Å; F211-A213 VanDerWaalsContact C-N 3.35Å; F211-A213 PolarHBondContact O-N 3.45Å; F211-I214 PolarHBondContact O-N 3Å; F211-C215 VanDerWaalsContact CZ-SG 3.56Å; F211-C215 PolarHBondContact O-N 2.85Å; F211-C215 PolarHBondContact O-SG 3.22Å; F211-C215 VanDerWaalsContact O-SG 3.41Å |
| 212 | A | 92.9 | Very high | 93 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 28% | 0.281 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V208 L209 I214 C215 L216 | V208-A212 VanDerWaalsContact O-CB 3.25Å; V208-A212 WeakPolarHBondContact O-CB 3.3Å; V208-A212 PolarHBondContact O-N 3.28Å; L209-A212 PolarHBondContact O-N 2.99Å; A212-I214 PolarHBondContact O-N 3.37Å; A212-C215 PolarHBondContact O-N 3.48Å; A212-L216 VanDerWaalsContact O-CB 3.25Å; A212-L216 WeakPolarHBondContact O-CB 3.32Å; A212-L216 WeakPolarHBondContact O-CD1 3.35Å; A212-L216 WeakPolarHBondContact O-CG 3.34Å; A212-L216 PolarHBondContact O-N 3.36Å |
| 213 | A | 93.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L209 L210 F211 N217 I252 Y253 | L209-A213 VanDerWaalsContact O-CB 3.32Å; L209-A213 WeakPolarHBondContact O-CB 3.43Å; L209-A213 PolarHBondContact O-N 3.01Å; L210-A213 PolarHBondContact O-N 3Å; F211-A213 VanDerWaalsContact C-N 3.35Å; F211-A213 PolarHBondContact O-N 3.45Å; A213-N217 WeakPolarHBondContact O-CB 3.41Å; A213-N217 PolarHBondContact O-N 2.88Å; A213-I252 HydrophobicContact CB-CB 4.37Å; A213-I252 HydrophobicContact CB-CG2 3.87Å; A213-Y253 HydrophobicContact CB-CD2 3.81Å; A213-Y253 HydrophobicContact CB-CG 4.36Å |
| 214 | I | 92.9 | Very high | 92.7 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 176.8 | -67.3 | 167.5 | 0 | 0 | 0 | 110.4 | L210 F211 A212 N217 A218 Y253 P279 | L210-I214 HydrophobicContact CD1-CD1 4.11Å; L210-I214 HydrophobicContact CG-CD1 4.04Å; L210-I214 VanDerWaalsContact O-CG1 3.31Å; L210-I214 WeakPolarHBondContact O-CG1 3.25Å; L210-I214 PolarHBondContact O-N 2.94Å; F211-I214 PolarHBondContact O-N 3Å; A212-I214 PolarHBondContact O-N 3.37Å; I214-N217 PolarHBondContact O-N 3.01Å; I214-A218 PolarHBondContact O-N 3.17Å; I214-Y253 HydrophobicContact CD1-CE2 4.46Å; I214-Y253 HydrophobicContact CG1-CD2 4.48Å; I214-Y253 HydrophobicContact CG1-CE2 3.92Å; I214-P279 HydrophobicContact CG1-CG 4.36Å |
| 215 | C | 92.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 56 Ų | 56 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 179 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | F211 A212 N217 A218 I219 | F211-C215 VanDerWaalsContact CZ-SG 3.56Å; F211-C215 PolarHBondContact O-N 2.85Å; F211-C215 PolarHBondContact O-SG 3.22Å; F211-C215 VanDerWaalsContact O-SG 3.41Å; A212-C215 PolarHBondContact O-N 3.48Å; C215-N217 VanDerWaalsContact C-N 3.33Å; C215-N217 PolarHBondContact O-N 2.78Å; C215-A218 PolarHBondContact O-N 2.81Å; C215-I219 VanDerWaalsContact O-CG1 3.3Å; C215-I219 WeakPolarHBondContact O-CG1 3.28Å; C215-I219 PolarHBondContact O-N 3.45Å |
| 216 | L | 92.8 | Very high | 91.8 | Very high | 85 Ų | 85 | 62 Ų | 62 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 179.4 | -69.6 | 168.1 | 0 | 0 | 0 | 111.7 | A212 I219 H220 L249 | A212-L216 VanDerWaalsContact O-CB 3.25Å; A212-L216 WeakPolarHBondContact O-CB 3.32Å; A212-L216 WeakPolarHBondContact O-CD1 3.35Å; A212-L216 WeakPolarHBondContact O-CG 3.34Å; A212-L216 PolarHBondContact O-N 3.36Å; L216-I219 PolarHBondContact O-N 2.89Å; L216-H220 VanDerWaalsContact O-CB 3.27Å; L216-H220 WeakPolarHBondContact O-CB 3.32Å; L216-H220 PolarHBondContact O-N 3.02Å; L216-L249 HydrophobicContact CB-CD2 3.45Å; L216-L249 VanDerWaalsContact CB-CD2 3.45Å; L216-L249 HydrophobicContact CD1-CD2 4.45Å |
| 217 | N | 92.6 | Very high | 91.5 | Very high | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 173.1 | -173.1 | 33.3 | 0 | 0 | 0 | 111.5 | A213 I214 C215 I219 H220 L221 L249 T280 | A213-N217 WeakPolarHBondContact O-CB 3.41Å; A213-N217 PolarHBondContact O-N 2.88Å; I214-N217 PolarHBondContact O-N 3.01Å; C215-N217 VanDerWaalsContact C-N 3.33Å; C215-N217 PolarHBondContact O-N 2.78Å; N217-I219 PolarHBondContact O-N 2.75Å; N217-H220 PolarHBondContact O-N 3.27Å; N217-L221 VanDerWaalsContact O-CG 3.3Å; N217-L221 WeakPolarHBondContact O-CG 3.32Å; N217-L221 PolarHBondContact O-N 2.91Å; N217-L249 HydrophobicContact CB-CD1 4.11Å; N217-L249 HydrophobicContact CB-CD2 4.47Å; N217-T280 PolarHBondContact ND2-OG1 3.34Å |
| 218 | A | 91.6 | Very high | 91.2 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 35% | 0.347 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I214 C215 L221 A222 | I214-A218 PolarHBondContact O-N 3.17Å; C215-A218 PolarHBondContact O-N 2.81Å; A218-L221 PolarHBondContact O-N 2.95Å; A218-A222 VanDerWaalsContact O-CB 3.28Å; A218-A222 WeakPolarHBondContact O-CB 3.33Å; A218-A222 PolarHBondContact O-N 3.45Å |
| 219 | I | 90.8 | Very high | 90.9 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.7 | -68 | 165.3 | 0 | 0 | 0 | 110.5 | C215 L216 N217 L221 A222 L223 | C215-I219 VanDerWaalsContact O-CG1 3.3Å; C215-I219 WeakPolarHBondContact O-CG1 3.28Å; C215-I219 PolarHBondContact O-N 3.45Å; L216-I219 PolarHBondContact O-N 2.89Å; N217-I219 PolarHBondContact O-N 2.75Å; I219-L221 VanDerWaalsContact C-N 3.32Å; I219-L221 PolarHBondContact O-N 3.43Å; I219-A222 PolarHBondContact O-N 2.86Å; I219-L223 HydrophobicContact CG2-CD1 3.86Å; I219-L223 HydrophobicContact CG2-CG 4.36Å; I219-L223 VanDerWaalsContact O-CG 3.27Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 2.89Å |
| 220 | H | 91.4 | Very high | 90.7 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | -179.9 | -178.9 | 59.6 | 0 | 0 | 0 | 111.7 | L216 N217 L223 Y224 L249 | L216-H220 VanDerWaalsContact O-CB 3.27Å; L216-H220 WeakPolarHBondContact O-CB 3.32Å; L216-H220 PolarHBondContact O-N 3.02Å; N217-H220 PolarHBondContact O-N 3.27Å; H220-L223 PolarHBondContact O-N 2.85Å; H220-Y224 AromaticContact CD2-CE2 3.93Å; H220-Y224 AromaticContact CE1-CE2 3.89Å; H220-Y224 AromaticContact NE2-CE2 3.57Å; H220-Y224 AromaticContact NE2-CZ 3.81Å; H220-Y224 PolarHBondContact NE2-OH 3.31Å; H220-Y224 VanDerWaalsContact NE2-OH 3.14Å; H220-Y224 WeakPolarHBondContact O-CD2 3.44Å; H220-Y224 VanDerWaalsContact O-CE2 3.26Å; H220-Y224 WeakPolarHBondContact O-CE2 3.21Å; H220-L249 HydrophobicContact CB-CD1 4.18Å |
| 221 | L | 91.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 178.2 | -65.2 | 171.2 | 0 | 0 | 0 | 112.6 | N217 A218 I219 L223 Y224 Q227 I232 T280 Y283 | N217-L221 VanDerWaalsContact O-CG 3.3Å; N217-L221 WeakPolarHBondContact O-CG 3.32Å; N217-L221 PolarHBondContact O-N 2.91Å; A218-L221 PolarHBondContact O-N 2.95Å; I219-L221 VanDerWaalsContact C-N 3.32Å; I219-L221 PolarHBondContact O-N 3.43Å; L221-L223 VanDerWaalsContact C-N 3.26Å; L221-L223 PolarHBondContact O-N 3.35Å; L221-Y224 PolarHBondContact O-N 3.25Å; L221-Q227 PolarHBondContact O-NE2 3.42Å; L221-I232 HydrophobicContact CD2-CG2 3.92Å; L221-T280 HydrophobicContact CD1-CG2 4.05Å; L221-T280 HydrophobicContact CD2-CG2 4.48Å; L221-Y283 HydrophobicContact CB-CD1 3.73Å; L221-Y283 HydrophobicContact CB-CD2 4.28Å; L221-Y283 HydrophobicContact CB-CE1 3.6Å; L221-Y283 HydrophobicContact CB-CE2 4.15Å; L221-Y283 HydrophobicContact CB-CG 4.09Å; L221-Y283 HydrophobicContact CD1-CD1 3.77Å; L221-Y283 HydrophobicContact CD1-CD2 4.38Å; L221-Y283 HydrophobicContact CD1-CG 3.71Å; L221-Y283 HydrophobicContact CG-CD1 4.31Å |
| 222 | A | 90.4 | Very high | 90.5 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.5 | -27 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A218 I219 Y224 Q227 Y283 | A218-A222 VanDerWaalsContact O-CB 3.28Å; A218-A222 WeakPolarHBondContact O-CB 3.33Å; A218-A222 PolarHBondContact O-N 3.45Å; I219-A222 PolarHBondContact O-N 2.86Å; A222-Y224 VanDerWaalsContact C-N 3.27Å; A222-Y224 PolarHBondContact O-N 2.98Å; A222-Q227 PolarHBondContact O-NE2 2.73Å; A222-Y283 VanDerWaalsContact CA-OH 3.3Å; A222-Y283 WeakPolarHBondContact CA-OH 3.42Å; A222-Y283 PolarHBondContact N-OH 3.13Å |
| 223 | L | 89.6 | Confident | 90.3 | Very high | 135 Ų | 135 | 64 Ų | 64 | 71% | 0.707 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.4 | 179 | -69.1 | 172.8 | 0 | 0 | 0 | 114.2 | I219 H220 L221 | I219-L223 HydrophobicContact CG2-CD1 3.86Å; I219-L223 HydrophobicContact CG2-CG 4.36Å; I219-L223 VanDerWaalsContact O-CG 3.27Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 2.89Å; H220-L223 PolarHBondContact O-N 2.85Å; L221-L223 VanDerWaalsContact C-N 3.26Å; L221-L223 PolarHBondContact O-N 3.35Å |
| 224 | Y | 89.7 | Confident | 90.2 | Very high | 15 Ų | 15 | 70.2 Ų | 70.2 | 6% | 0.059 | 38% | 0.382 | C | S | . | . | trans | -70 | 137.4 | 174 | -80.5 | -114.4 | 0 | 0 | 0 | 110.4 | H220 L221 A222 E226 Q227 I232 S235 A236 N242 | H220-Y224 AromaticContact CD2-CE2 3.93Å; H220-Y224 AromaticContact CE1-CE2 3.89Å; H220-Y224 AromaticContact NE2-CE2 3.57Å; H220-Y224 AromaticContact NE2-CZ 3.81Å; H220-Y224 PolarHBondContact NE2-OH 3.31Å; H220-Y224 VanDerWaalsContact NE2-OH 3.14Å; H220-Y224 WeakPolarHBondContact O-CD2 3.44Å; H220-Y224 VanDerWaalsContact O-CE2 3.26Å; H220-Y224 WeakPolarHBondContact O-CE2 3.21Å; L221-Y224 PolarHBondContact O-N 3.25Å; A222-Y224 VanDerWaalsContact C-N 3.27Å; A222-Y224 PolarHBondContact O-N 2.98Å; Y224-E226 VanDerWaalsContact C-N 3.32Å; Y224-E226 PolarHBondContact O-N 3.1Å; Y224-Q227 PolarHBondContact O-NE2 3.39Å; Y224-I232 HydrophobicContact CD1-CG1 4.43Å; Y224-I232 HydrophobicContact CD1-CG2 4.38Å; Y224-I232 HydrophobicContact CE1-CG2 4.47Å; Y224-I232 HydrophobicContact CG-CG1 4.4Å; Y224-S235 WeakPolarHBondContact CE1-OG 3.32Å; Y224-A236 WeakPolarHBondContact OH-CA 3.49Å; Y224-N242 WeakPolarHBondContact CE1-ND2 3.18Å; Y224-N242 WeakPolarHBondContact OH-CB 3.31Å; Y224-N242 PolarHBondContact OH-ND2 3.48Å | ||
| 225 | P | 84.8 | Confident | 90.1 | Very high | 122 Ų | 122 | 68.8 Ų | 68.8 | 79% | 0.792 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -67.3 | -34 | -178.8 | 25.5 | -33.9 | 0 | 0 | 0 | 112.7 | ||
| 226 | E | 86 | Confident | 89.9 | Confident | 128 Ų | 128 | 67.8 Ų | 67.8 | 60% | 0.598 | 37% | 0.374 | S | S | * | . | trans | -106.3 | 106.8 | -177.9 | -71.4 | -73 | 175.4 | 0 | 0 | 110 | Y224 S228 A231 I232 | Y224-E226 VanDerWaalsContact C-N 3.32Å; Y224-E226 PolarHBondContact O-N 3.1Å; E226-S228 PolarHBondContact O-N 3.3Å; E226-S228 VanDerWaalsContact O-N 3.07Å; E226-A231 HydrophobicContact CB-CB 3.67Å; E226-A231 HydrophobicContact CG-CB 4.49Å; E226-I232 WeakPolarHBondContact O-CG1 3.49Å | ||
| 227 | Q | 88.2 | Confident | 89.7 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | trans | -84.7 | 37.7 | -176.5 | -66.5 | -66.1 | -41.8 | 0 | 0 | 113.2 | L221 A222 Y224 Y283 I287 | L221-Q227 PolarHBondContact O-NE2 3.42Å; A222-Q227 PolarHBondContact O-NE2 2.73Å; Y224-Q227 PolarHBondContact O-NE2 3.39Å; Q227-Y283 PolarHBondContact OE1-OH 3.09Å; Q227-I287 VanDerWaalsContact C-CD1 3.5Å; Q227-I287 HydrophobicContact CB-CD1 3.93Å; Q227-I287 HydrophobicContact CB-CG1 4.27Å; Q227-I287 WeakPolarHBondContact O-CD1 3.23Å; Q227-I287 VanDerWaalsContact OE1-CD1 3.26Å | ||
| 228 | S | 88.5 | Confident | 89.6 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -107.3 | 137.9 | 172.6 | 74.7 | 0 | 0 | 0 | 0 | 111.3 | E226 K230 A231 I232 | E226-S228 PolarHBondContact O-N 3.3Å; E226-S228 VanDerWaalsContact O-N 3.07Å; S228-K230 VanDerWaalsContact C-N 3.26Å; S228-K230 PolarHBondContact O-N 3.48Å; S228-K230 VanDerWaalsContact O-N 3.14Å; S228-A231 PolarHBondContact O-N 2.83Å; S228-A231 WeakPolarHBondContact OG-CB 3.32Å; S228-A231 PolarHBondContact OG-N 3.39Å; S228-I232 WeakPolarHBondContact O-CG1 3.07Å; S228-I232 PolarHBondContact O-N 2.95Å |
| 229 | P | 88.1 | Confident | 89.5 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 40% | 0.396 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.9 | -39.9 | -174.6 | -28.4 | 33.3 | 0 | 0 | 0 | 114.1 | L233 L284 I287 | P229-L233 WeakPolarHBondContact O-CB 3.37Å; P229-L233 PolarHBondContact O-N 3.03Å; P229-L233 VanDerWaalsContact O-N 3.07Å; P229-L284 HydrophobicContact CB-CD2 4.19Å; P229-I287 HydrophobicContact CG-CG2 3.98Å |
| 230 | K | 89.8 | Confident | 89.5 | Confident | 185 Ų | 185 | 85.8 Ų | 85.8 | 80% | 0.804 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69 | -38.7 | 178.4 | -65.7 | -177.4 | -179.6 | 178.7 | 0 | 112.2 | S228 K234 | S228-K230 VanDerWaalsContact C-N 3.26Å; S228-K230 PolarHBondContact O-N 3.48Å; S228-K230 VanDerWaalsContact O-N 3.14Å; K230-K234 VanDerWaalsContact O-CB 3.29Å; K230-K234 WeakPolarHBondContact O-CB 3.44Å; K230-K234 PolarHBondContact O-N 3.35Å |
| 231 | A | 90.1 | Very high | 89.2 | Confident | 28 Ų | 28 | 91.3 Ų | 91.3 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E226 S228 K234 S235 | E226-A231 HydrophobicContact CB-CB 3.67Å; E226-A231 HydrophobicContact CG-CB 4.49Å; S228-A231 PolarHBondContact O-N 2.83Å; S228-A231 WeakPolarHBondContact OG-CB 3.32Å; S228-A231 PolarHBondContact OG-N 3.39Å; A231-K234 PolarHBondContact O-N 3.4Å; A231-S235 VanDerWaalsContact O-CB 3.25Å; A231-S235 WeakPolarHBondContact O-CB 3.11Å; A231-S235 PolarHBondContact O-N 3.41Å |
| 232 | I | 91.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 92 Ų | 92 | 2% | 0.021 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -57.8 | -52.9 | 175.3 | -67.3 | 176 | 0 | 0 | 0 | 109.8 | L221 Y224 E226 S228 K234 S235 A236 Y283 L284 I287 | L221-I232 HydrophobicContact CD2-CG2 3.92Å; Y224-I232 HydrophobicContact CD1-CG1 4.43Å; Y224-I232 HydrophobicContact CD1-CG2 4.38Å; Y224-I232 HydrophobicContact CE1-CG2 4.47Å; Y224-I232 HydrophobicContact CG-CG1 4.4Å; E226-I232 WeakPolarHBondContact O-CG1 3.49Å; S228-I232 WeakPolarHBondContact O-CG1 3.07Å; S228-I232 PolarHBondContact O-N 2.95Å; I232-K234 PolarHBondContact O-N 3.28Å; I232-S235 PolarHBondContact O-N 3.42Å; I232-S235 VanDerWaalsContact O-N 3.15Å; I232-A236 WeakPolarHBondContact O-CB 3.48Å; I232-A236 PolarHBondContact O-N 2.94Å; I232-Y283 HydrophobicContact CD1-CE1 4.26Å; I232-L284 HydrophobicContact CB-CD2 4.25Å; I232-L284 HydrophobicContact CD1-CD2 4.24Å; I232-L284 HydrophobicContact CG2-CD2 4.1Å; I232-I287 HydrophobicContact CD1-CD1 3.28Å |
| 233 | L | 90.2 | Very high | 89 | Confident | 99 Ų | 99 | 94.1 Ų | 94.1 | 52% | 0.518 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | -180 | -173.3 | 63.5 | 0 | 0 | 0 | 111.2 | P229 S235 A236 W237 | P229-L233 WeakPolarHBondContact O-CB 3.37Å; P229-L233 PolarHBondContact O-N 3.03Å; P229-L233 VanDerWaalsContact O-N 3.07Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 2.91Å; L233-A236 PolarHBondContact O-N 3.48Å; L233-W237 VanDerWaalsContact O-CD1 3.22Å; L233-W237 PolarHBondContact O-N 3.3Å |
| 234 | K | 91.2 | Very high | 89 | Confident | 132 Ų | 132 | 90 Ų | 90 | 57% | 0.574 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61 | -37.9 | 177.5 | -176.2 | 178.6 | 178.3 | -177.7 | 0 | 112.7 | K230 A231 I232 K238 | K230-K234 VanDerWaalsContact O-CB 3.29Å; K230-K234 WeakPolarHBondContact O-CB 3.44Å; K230-K234 PolarHBondContact O-N 3.35Å; A231-K234 PolarHBondContact O-N 3.4Å; I232-K234 PolarHBondContact O-N 3.28Å; K234-K238 HydrophobicContact CG-CD 4.15Å; K234-K238 VanDerWaalsContact O-CG 3.25Å; K234-K238 WeakPolarHBondContact O-CG 3.16Å; K234-K238 PolarHBondContact O-N 3.49Å |
| 235 | S | 90.1 | Very high | 88.9 | Confident | 41 Ų | 41 | 91 Ų | 91 | 29% | 0.287 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76 | -36.6 | -179.1 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | Y224 A231 I232 L233 W237 K238 S239 N242 | Y224-S235 WeakPolarHBondContact CE1-OG 3.32Å; A231-S235 VanDerWaalsContact O-CB 3.25Å; A231-S235 WeakPolarHBondContact O-CB 3.11Å; A231-S235 PolarHBondContact O-N 3.41Å; I232-S235 PolarHBondContact O-N 3.42Å; I232-S235 VanDerWaalsContact O-N 3.15Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 2.91Å; S235-W237 VanDerWaalsContact C-N 3.27Å; S235-W237 PolarHBondContact O-N 2.78Å; S235-K238 PolarHBondContact O-N 2.91Å; S235-S239 PolarHBondContact O-N 3.33Å; S235-N242 PolarHBondContact O-ND2 3.3Å; S235-N242 PolarHBondContact OG-ND2 3.04Å |
| 236 | A | 88.7 | Confident | 89 | Confident | 24 Ų | 24 | 87.4 Ų | 87.4 | 20% | 0.198 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -56.9 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y224 I232 L233 | Y224-A236 WeakPolarHBondContact OH-CA 3.49Å; I232-A236 WeakPolarHBondContact O-CB 3.48Å; I232-A236 PolarHBondContact O-N 2.94Å; L233-A236 PolarHBondContact O-N 3.48Å |
| 237 | W | 89.9 | Confident | 89.1 | Confident | 200 Ų | 200 | 84 Ų | 84 | 76% | 0.758 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -83.8 | -18.4 | -179.2 | -72.4 | 82.2 | 0 | 0 | 0 | 114.8 | L233 S235 | L233-W237 VanDerWaalsContact O-CD1 3.22Å; L233-W237 PolarHBondContact O-N 3.3Å; S235-W237 VanDerWaalsContact C-N 3.27Å; S235-W237 PolarHBondContact O-N 2.78Å |
| 238 | K | 90.5 | Very high | 89.2 | Confident | 153 Ų | 153 | 83.9 Ų | 83.9 | 67% | 0.665 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -91.3 | -35.8 | -175.1 | -78.8 | -175.7 | 176.9 | -148.7 | 0 | 114 | K234 S235 | K234-K238 HydrophobicContact CG-CD 4.15Å; K234-K238 VanDerWaalsContact O-CG 3.25Å; K234-K238 WeakPolarHBondContact O-CG 3.16Å; K234-K238 PolarHBondContact O-N 3.49Å; S235-K238 PolarHBondContact O-N 2.91Å |
| 239 | S | 89.2 | Confident | 89.3 | Confident | 42 Ų | 42 | 82.5 Ų | 82.5 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | trans | -88.1 | 127.1 | -176.1 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | S235 Q241 N242 L243 | S235-S239 PolarHBondContact O-N 3.33Å; S239-Q241 PolarHBondContact O-N 3Å; S239-Q241 PolarHBondContact OG-N 3.28Å; S239-N242 WeakPolarHBondContact CB-ND2 3.25Å; S239-N242 PolarHBondContact O-N 2.84Å; S239-N242 VanDerWaalsContact O-N 3.15Å; S239-L243 PolarHBondContact O-N 3.38Å | ||
| 240 | R | 89.5 | Confident | 89.4 | Confident | 227 Ų | 227 | 83.8 Ų | 83.8 | 86% | 0.857 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59 | -35.3 | 175.5 | -66.7 | -174.2 | -178.9 | -169.7 | 0.2 | 112.4 | L243 A244 | R240-L243 PolarHBondContact O-N 3.27Å; R240-A244 WeakPolarHBondContact O-CB 3.29Å; R240-A244 PolarHBondContact O-N 3.44Å |
| 241 | Q | 86.9 | Confident | 89.4 | Confident | 148 Ų | 148 | 80.1 Ų | 80.1 | 69% | 0.692 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.1 | -39.3 | 177.8 | -177.6 | 178 | -4 | 0 | 0 | 111.6 | S239 A244 S245 | S239-Q241 PolarHBondContact O-N 3Å; S239-Q241 PolarHBondContact OG-N 3.28Å; Q241-A244 PolarHBondContact O-N 3.43Å; Q241-S245 WeakPolarHBondContact O-CB 3.5Å; Q241-S245 PolarHBondContact O-N 3.03Å; Q241-S245 PolarHBondContact O-OG 2.96Å |
| 242 | N | 89 | Confident | 89.5 | Confident | 23 Ų | 23 | 79.9 Ų | 79.9 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 176.3 | -66.6 | -8.2 | 0 | 0 | 0 | 110.6 | Y224 S235 S239 A244 S245 A246 | Y224-N242 WeakPolarHBondContact CE1-ND2 3.18Å; Y224-N242 WeakPolarHBondContact OH-CB 3.31Å; Y224-N242 PolarHBondContact OH-ND2 3.48Å; S235-N242 PolarHBondContact O-ND2 3.3Å; S235-N242 PolarHBondContact OG-ND2 3.04Å; S239-N242 WeakPolarHBondContact CB-ND2 3.25Å; S239-N242 PolarHBondContact O-N 2.84Å; S239-N242 VanDerWaalsContact O-N 3.15Å; N242-A244 VanDerWaalsContact C-N 3.35Å; N242-A244 PolarHBondContact O-N 3.3Å; N242-S245 PolarHBondContact O-N 2.91Å; N242-A246 VanDerWaalsContact O-CB 3.28Å; N242-A246 WeakPolarHBondContact O-CB 3.47Å; N242-A246 PolarHBondContact O-N 3.26Å |
| 243 | L | 88.6 | Confident | 89.5 | Confident | 96 Ų | 96 | 81 Ų | 81 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 175.1 | -171.4 | 66.1 | 0 | 0 | 0 | 111.7 | S239 R240 A246 S247 | S239-L243 PolarHBondContact O-N 3.38Å; R240-L243 PolarHBondContact O-N 3.27Å; L243-A246 PolarHBondContact O-N 2.87Å; L243-S247 WeakPolarHBondContact O-CB 3.42Å; L243-S247 PolarHBondContact O-N 3.42Å; L243-S247 PolarHBondContact O-OG 2.83Å |
| 244 | A | 88.3 | Confident | 89.5 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R240 Q241 N242 S247 T248 | R240-A244 WeakPolarHBondContact O-CB 3.29Å; R240-A244 PolarHBondContact O-N 3.44Å; Q241-A244 PolarHBondContact O-N 3.43Å; N242-A244 VanDerWaalsContact C-N 3.35Å; N242-A244 PolarHBondContact O-N 3.3Å; A244-S247 WeakPolarHBondContact CA-OG 3.42Å; A244-S247 PolarHBondContact O-OG 2.9Å; A244-T248 WeakPolarHBondContact O-CB 3.33Å; A244-T248 PolarHBondContact O-N 3.28Å; A244-T248 PolarHBondContact O-OG1 2.91Å |
| 245 | S | 87.6 | Confident | 89.4 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 26% | 0.259 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 175.9 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | Q241 N242 S247 T248 L249 | Q241-S245 WeakPolarHBondContact O-CB 3.5Å; Q241-S245 PolarHBondContact O-N 3.03Å; Q241-S245 PolarHBondContact O-OG 2.96Å; N242-S245 PolarHBondContact O-N 2.91Å; S245-S247 PolarHBondContact O-N 3.42Å; S245-T248 PolarHBondContact O-N 3.47Å; S245-L249 WeakPolarHBondContact O-CB 3.23Å; S245-L249 VanDerWaalsContact O-CG 3.29Å; S245-L249 WeakPolarHBondContact O-CG 3.41Å; S245-L249 PolarHBondContact O-N 3.26Å |
| 246 | A | 88.4 | Confident | 89.5 | Confident | 46 Ų | 46 | 71 Ų | 71 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N242 L243 L249 L250 | N242-A246 VanDerWaalsContact O-CB 3.28Å; N242-A246 WeakPolarHBondContact O-CB 3.47Å; N242-A246 PolarHBondContact O-N 3.26Å; L243-A246 PolarHBondContact O-N 2.87Å; A246-L249 PolarHBondContact O-N 3.46Å; A246-L250 VanDerWaalsContact O-CB 3.27Å; A246-L250 WeakPolarHBondContact O-CB 3.26Å; A246-L250 PolarHBondContact O-N 3.28Å |
| 247 | S | 88.4 | Confident | 89.6 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 176 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | L243 A244 S245 L250 L251 | L243-S247 WeakPolarHBondContact O-CB 3.42Å; L243-S247 PolarHBondContact O-N 3.42Å; L243-S247 PolarHBondContact O-OG 2.83Å; A244-S247 WeakPolarHBondContact CA-OG 3.42Å; A244-S247 PolarHBondContact O-OG 2.9Å; S245-S247 PolarHBondContact O-N 3.42Å; S247-L250 PolarHBondContact O-N 2.84Å; S247-L251 WeakPolarHBondContact O-CG 3.38Å; S247-L251 PolarHBondContact O-N 2.98Å |
| 248 | T | 88.6 | Confident | 89.5 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 39% | 0.387 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | A244 S245 L250 L251 I252 | A244-T248 WeakPolarHBondContact O-CB 3.33Å; A244-T248 PolarHBondContact O-N 3.28Å; A244-T248 PolarHBondContact O-OG1 2.91Å; S245-T248 PolarHBondContact O-N 3.47Å; T248-L250 VanDerWaalsContact C-N 3.32Å; T248-L250 PolarHBondContact O-N 3.46Å; T248-L251 PolarHBondContact O-N 3.29Å; T248-I252 HydrophobicContact CG2-CD1 4.07Å; T248-I252 WeakPolarHBondContact O-CG1 3.37Å; T248-I252 PolarHBondContact O-N 3.14Å |
| 249 | L | 91.4 | Very high | 89.5 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.1 | -71.7 | 168.9 | 0 | 0 | 0 | 112.2 | L216 N217 H220 S245 A246 L251 I252 Y253 | L216-L249 HydrophobicContact CB-CD2 3.45Å; L216-L249 VanDerWaalsContact CB-CD2 3.45Å; L216-L249 HydrophobicContact CD1-CD2 4.45Å; N217-L249 HydrophobicContact CB-CD1 4.11Å; N217-L249 HydrophobicContact CB-CD2 4.47Å; H220-L249 HydrophobicContact CB-CD1 4.18Å; S245-L249 WeakPolarHBondContact O-CB 3.23Å; S245-L249 VanDerWaalsContact O-CG 3.29Å; S245-L249 WeakPolarHBondContact O-CG 3.41Å; S245-L249 PolarHBondContact O-N 3.26Å; A246-L249 PolarHBondContact O-N 3.46Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-I252 PolarHBondContact O-N 3.12Å; L249-Y253 VanDerWaalsContact O-CB 3.26Å; L249-Y253 WeakPolarHBondContact O-CB 3.38Å; L249-Y253 PolarHBondContact O-N 3.42Å |
| 250 | L | 90.3 | Very high | 89.5 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 47% | 0.466 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.9 | 179 | 63.4 | 0 | 0 | 0 | 111.7 | A246 S247 T248 T254 L276 | A246-L250 VanDerWaalsContact O-CB 3.27Å; A246-L250 WeakPolarHBondContact O-CB 3.26Å; A246-L250 PolarHBondContact O-N 3.28Å; S247-L250 PolarHBondContact O-N 2.84Å; T248-L250 VanDerWaalsContact C-N 3.32Å; T248-L250 PolarHBondContact O-N 3.46Å; L250-T254 WeakPolarHBondContact O-CB 3.45Å; L250-T254 PolarHBondContact O-N 3.47Å; L250-T254 PolarHBondContact O-OG1 3.49Å; L250-L276 HydrophobicContact CD1-CB 4.24Å; L250-L276 HydrophobicContact CD1-CD1 3.52Å; L250-L276 HydrophobicContact CD1-CD2 4.05Å; L250-L276 HydrophobicContact CD1-CG 4.12Å |
| 251 | L | 90 | Very high | 89 | Confident | 108 Ų | 108 | 46.7 Ų | 46.7 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.4 | -51.4 | 176.5 | -70.7 | 171.2 | 0 | 0 | 0 | 110.9 | S247 T248 L249 Y253 T254 D255 | S247-L251 WeakPolarHBondContact O-CG 3.38Å; S247-L251 PolarHBondContact O-N 2.98Å; T248-L251 PolarHBondContact O-N 3.29Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L251-Y253 VanDerWaalsContact C-N 3.3Å; L251-Y253 PolarHBondContact O-N 3.27Å; L251-T254 WeakPolarHBondContact O-CB 3.27Å; L251-T254 PolarHBondContact O-N 2.97Å; L251-T254 VanDerWaalsContact O-N 3.13Å; L251-D255 PolarHBondContact O-N 3.39Å |
| 252 | I | 91.8 | Very high | 88.1 | Confident | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 179.4 | -63.6 | 169.7 | 0 | 0 | 0 | 111.2 | L209 A213 T248 L249 D255 A256 | L209-I252 HydrophobicContact CB-CG2 4.31Å; L209-I252 HydrophobicContact CD2-CG2 4Å; A213-I252 HydrophobicContact CB-CB 4.37Å; A213-I252 HydrophobicContact CB-CG2 3.87Å; T248-I252 HydrophobicContact CG2-CD1 4.07Å; T248-I252 WeakPolarHBondContact O-CG1 3.37Å; T248-I252 PolarHBondContact O-N 3.14Å; L249-I252 PolarHBondContact O-N 3.12Å; I252-D255 PolarHBondContact O-N 3.14Å; I252-A256 WeakPolarHBondContact O-CB 3.19Å; I252-A256 PolarHBondContact O-N 2.98Å |
| 253 | Y | 91.4 | Very high | 86.7 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 11% | 0.106 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.6 | -36 | -179.2 | -164.2 | -80.7 | 0 | 0 | 0 | 111.7 | L210 A213 I214 L249 L251 A256 I257 F275 L276 P279 | L210-Y253 HydrophobicContact CD1-CD2 3.94Å; L210-Y253 HydrophobicContact CD1-CE2 3.53Å; A213-Y253 HydrophobicContact CB-CD2 3.81Å; A213-Y253 HydrophobicContact CB-CG 4.36Å; I214-Y253 HydrophobicContact CD1-CE2 4.46Å; I214-Y253 HydrophobicContact CG1-CD2 4.48Å; I214-Y253 HydrophobicContact CG1-CE2 3.92Å; L249-Y253 VanDerWaalsContact O-CB 3.26Å; L249-Y253 WeakPolarHBondContact O-CB 3.38Å; L249-Y253 PolarHBondContact O-N 3.42Å; L251-Y253 VanDerWaalsContact C-N 3.3Å; L251-Y253 PolarHBondContact O-N 3.27Å; Y253-A256 PolarHBondContact O-N 3.49Å; Y253-I257 HydrophobicContact CD1-CD1 3.68Å; Y253-I257 HydrophobicContact CD1-CG1 4.09Å; Y253-I257 HydrophobicContact CE1-CD1 3.23Å; Y253-I257 HydrophobicContact CE1-CG1 3.97Å; Y253-I257 WeakPolarHBondContact O-CB 3.34Å; Y253-I257 WeakPolarHBondContact O-CG1 3.17Å; Y253-I257 PolarHBondContact O-N 3.25Å; Y253-F275 PolarHBondContact OH-O 3.18Å; Y253-F275 VanDerWaalsContact OH-O 3.12Å; Y253-L276 HydrophobicContact CD1-CD2 3.27Å; Y253-L276 HydrophobicContact CD1-CG 4.48Å; Y253-L276 HydrophobicContact CE1-CD2 3.77Å; Y253-L276 HydrophobicContact CG-CD2 4.3Å; Y253-P279 HydrophobicContact CE2-CG 3.84Å |
| 254 | T | 89.7 | Confident | 85.3 | Confident | 22 Ų | 22 | 47 Ų | 47 | 14% | 0.135 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 173.2 | -65.4 | 0 | 0 | 0 | 0 | 111 | L250 L251 A256 I257 L258 F273 | L250-T254 WeakPolarHBondContact O-CB 3.45Å; L250-T254 PolarHBondContact O-N 3.47Å; L250-T254 PolarHBondContact O-OG1 3.49Å; L251-T254 WeakPolarHBondContact O-CB 3.27Å; L251-T254 PolarHBondContact O-N 2.97Å; L251-T254 VanDerWaalsContact O-N 3.13Å; T254-A256 VanDerWaalsContact C-N 3.29Å; T254-A256 PolarHBondContact O-N 3.15Å; T254-I257 PolarHBondContact O-N 3.06Å; T254-L258 HydrophobicContact CG2-CD1 3.66Å; T254-L258 HydrophobicContact CG2-CG 4.16Å; T254-L258 WeakPolarHBondContact O-CB 3.27Å; T254-L258 VanDerWaalsContact O-CG 3.29Å; T254-L258 WeakPolarHBondContact O-CG 3.48Å; T254-L258 PolarHBondContact O-N 3.28Å; T254-F273 HydrophobicContact CG2-CE1 3.55Å; T254-F273 HydrophobicContact CG2-CZ 4.02Å |
| 255 | D | 90.3 | Very high | 84.2 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 178.5 | -69.2 | -17 | 0 | 0 | 0 | 111.3 | L71 L209 L251 I252 S259 | L71-D255 HydrophobicContact CD2-CB 4.16Å; L209-D255 HydrophobicContact CD1-CB 4.46Å; L251-D255 PolarHBondContact O-N 3.39Å; I252-D255 PolarHBondContact O-N 3.14Å; D255-S259 VanDerWaalsContact O-CB 3.25Å; D255-S259 WeakPolarHBondContact O-CB 3.3Å; D255-S259 PolarHBondContact O-N 2.94Å; D255-S259 PolarHBondContact O-OG 3.49Å |
| 256 | A | 92 | Very high | 83.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -49.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L209 L210 I252 Y253 T254 S259 I260 | L209-A256 HydrophobicContact CB-CB 3.8Å; L210-A256 HydrophobicContact CB-CB 3.95Å; I252-A256 WeakPolarHBondContact O-CB 3.19Å; I252-A256 PolarHBondContact O-N 2.98Å; Y253-A256 PolarHBondContact O-N 3.49Å; T254-A256 VanDerWaalsContact C-N 3.29Å; T254-A256 PolarHBondContact O-N 3.15Å; A256-S259 PolarHBondContact O-N 3.39Å; A256-I260 VanDerWaalsContact O-CG1 3.32Å; A256-I260 WeakPolarHBondContact O-CG1 3.32Å; A256-I260 PolarHBondContact O-N 2.92Å |
| 257 | I | 89.7 | Confident | 82.6 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -43 | 179.5 | -79 | -169.7 | 0 | 0 | 0 | 112 | Y253 T254 S259 I260 S261 A272 F275 L276 | Y253-I257 HydrophobicContact CD1-CD1 3.68Å; Y253-I257 HydrophobicContact CD1-CG1 4.09Å; Y253-I257 HydrophobicContact CE1-CD1 3.23Å; Y253-I257 HydrophobicContact CE1-CG1 3.97Å; Y253-I257 WeakPolarHBondContact O-CB 3.34Å; Y253-I257 WeakPolarHBondContact O-CG1 3.17Å; Y253-I257 PolarHBondContact O-N 3.25Å; T254-I257 PolarHBondContact O-N 3.06Å; I257-S259 PolarHBondContact O-N 3.23Å; I257-I260 PolarHBondContact O-N 3.36Å; I257-S261 VanDerWaalsContact O-CB 3.28Å; I257-S261 WeakPolarHBondContact O-CB 3.3Å; I257-S261 PolarHBondContact O-N 3.38Å; I257-S261 PolarHBondContact O-OG 3.47Å; I257-A272 WeakPolarHBondContact CD1-O 3.5Å; I257-A272 HydrophobicContact CG2-CB 3.27Å; I257-F275 HydrophobicContact CD1-CB 4.38Å; I257-L276 HydrophobicContact CD1-CD2 4.38Å |
| 258 | L | 88.5 | Confident | 81.6 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.1 | -72.5 | 175.3 | 0 | 0 | 0 | 110.9 | M67 L71 T254 S261 A262 T269 F273 | M67-L258 HydrophobicContact CE-CB 3.93Å; M67-L258 HydrophobicContact CE-CD2 4.13Å; M67-L258 HydrophobicContact SD-CD2 4.46Å; L71-L258 HydrophobicContact CD1-CB 3.63Å; T254-L258 HydrophobicContact CG2-CD1 3.66Å; T254-L258 HydrophobicContact CG2-CG 4.16Å; T254-L258 WeakPolarHBondContact O-CB 3.27Å; T254-L258 VanDerWaalsContact O-CG 3.29Å; T254-L258 WeakPolarHBondContact O-CG 3.48Å; T254-L258 PolarHBondContact O-N 3.28Å; L258-S261 PolarHBondContact O-OG 3.18Å; L258-A262 PolarHBondContact O-N 2.94Å; L258-T269 HydrophobicContact CD2-CG2 3.5Å; L258-T269 VanDerWaalsContact CD2-CG2 3.5Å; L258-F273 HydrophobicContact CD2-CZ 4.27Å |
| 259 | S | 90.1 | Very high | 80.8 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.8 | -38.9 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | Y68 L71 F205 D255 A256 I257 | Y68-S259 VanDerWaalsContact CD2-O 3.29Å; Y68-S259 WeakPolarHBondContact CD2-O 3.34Å; Y68-S259 VanDerWaalsContact CE2-O 3.3Å; Y68-S259 WeakPolarHBondContact CE2-O 3.25Å; L71-S259 WeakPolarHBondContact CB-OG 3.1Å; L71-S259 VanDerWaalsContact CD1-OG 3.28Å; L71-S259 WeakPolarHBondContact CD1-OG 3.45Å; F205-S259 VanDerWaalsContact CE2-OG 3.31Å; F205-S259 WeakPolarHBondContact CE2-OG 3.38Å; F205-S259 WeakPolarHBondContact CZ-OG 3.28Å; D255-S259 VanDerWaalsContact O-CB 3.25Å; D255-S259 WeakPolarHBondContact O-CB 3.3Å; D255-S259 PolarHBondContact O-N 2.94Å; D255-S259 PolarHBondContact O-OG 3.49Å; A256-S259 PolarHBondContact O-N 3.39Å; I257-S259 PolarHBondContact O-N 3.23Å |
| 260 | I | 88.5 | Confident | 80.2 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 35% | 0.354 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.9 | -43.4 | 176.5 | -69.9 | 168.1 | 0 | 0 | 0 | 111.1 | P206 F207 L210 A256 I257 | P206-I260 HydrophobicContact CB-CD1 4.32Å; P206-I260 HydrophobicContact CB-CG1 3.5Å; F207-I260 HydrophobicContact CD1-CD1 4.09Å; F207-I260 HydrophobicContact CD1-CG1 4.43Å; F207-I260 HydrophobicContact CE1-CD1 4.18Å; F207-I260 HydrophobicContact CE1-CG1 4.2Å; L210-I260 HydrophobicContact CB-CD1 4.32Å; L210-I260 HydrophobicContact CD2-CD1 3.74Å; A256-I260 VanDerWaalsContact O-CG1 3.32Å; A256-I260 WeakPolarHBondContact O-CG1 3.32Å; A256-I260 PolarHBondContact O-N 2.92Å; I257-I260 PolarHBondContact O-N 3.36Å |
| 261 | S | 79.8 | Confident | 79.7 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -55.1 | -176.3 | 53.1 | 0 | 0 | 0 | 0 | 108.5 | I257 L258 L263 | I257-S261 VanDerWaalsContact O-CB 3.28Å; I257-S261 WeakPolarHBondContact O-CB 3.3Å; I257-S261 PolarHBondContact O-N 3.38Å; I257-S261 PolarHBondContact O-OG 3.47Å; L258-S261 PolarHBondContact O-OG 3.18Å; S261-L263 WeakPolarHBondContact O-CA 3.34Å; S261-L263 WeakPolarHBondContact O-CG 3.27Å; S261-L263 PolarHBondContact O-N 3.42Å |
| 262 | A | 66.9 | Low | 79.2 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | trans | 42 | 22 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L258 | L258-A262 PolarHBondContact O-N 2.94Š| ||
| 263 | L | 60.7 | Low | 78.7 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 41% | 0.414 | 33% | 0.331 | S | S | . | . | trans | -86.7 | 129.7 | -163.3 | -87.6 | 162.9 | 0 | 0 | 0 | 105.5 | S261 T265 W268 | S261-L263 WeakPolarHBondContact O-CA 3.34Å; S261-L263 WeakPolarHBondContact O-CG 3.27Å; S261-L263 PolarHBondContact O-N 3.42Å; L263-T265 PolarHBondContact O-N 3.5Å; L263-W268 HydrophobicContact CB-CB 3.94Å; L263-W268 HydrophobicContact CB-CG 4.27Å; L263-W268 HydrophobicContact CD1-CB 3.43Å; L263-W268 VanDerWaalsContact CD1-CB 3.43Å; L263-W268 HydrophobicContact CD1-CD2 4.05Å; L263-W268 HydrophobicContact CD1-CG 3.54Å; L263-W268 HydrophobicContact CG-CB 4.24Å; L263-W268 HydrophobicContact CG-CG 4.3Å | ||
| 264 | P | 59.4 | Low | 78.3 | Confident | 124 Ų | 124 | 70.1 Ų | 70.1 | 81% | 0.805 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -65.2 | -14.4 | -170.6 | 22.3 | -32.2 | 0 | 0 | 0 | 113.6 | ||
| 265 | T | 65.3 | Low | 78 | Confident | 63 Ų | 63 | 74.7 Ų | 74.7 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -110.9 | 135.1 | -175.2 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | L263 W267 W268 | L263-T265 PolarHBondContact O-N 3.5Å; T265-W267 PolarHBondContact O-N 3.33Å; T265-W267 VanDerWaalsContact O-N 3.09Å; T265-W268 PolarHBondContact O-N 2.93Å |
| 266 | P | 68.6 | Low | 77.8 | Confident | 73 Ų | 73 | 74.7 Ų | 74.7 | 47% | 0.474 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -20.8 | -175 | 22.1 | -32.2 | 0 | 0 | 0 | 113.9 | T269 Y270 | P266-T269 WeakPolarHBondContact O-CB 3.46Å; P266-T269 PolarHBondContact O-N 3.13Å; P266-Y270 HydrophobicContact CB-CE2 4.23Å; P266-Y270 WeakPolarHBondContact O-CD2 3.28Å; P266-Y270 WeakPolarHBondContact O-CE2 3.3Å; P266-Y270 PolarHBondContact O-N 2.86Å |
| 267 | W | 72.4 | Confident | 77.5 | Confident | 191 Ų | 191 | 77.5 Ų | 77.5 | 72% | 0.723 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.6 | -38.6 | -176.4 | -60.1 | -1.6 | 0 | 0 | 0 | 112.4 | T265 T269 Y270 F271 | T265-W267 PolarHBondContact O-N 3.33Å; T265-W267 VanDerWaalsContact O-N 3.09Å; W267-T269 VanDerWaalsContact C-N 3.27Å; W267-T269 PolarHBondContact O-N 2.82Å; W267-Y270 PolarHBondContact O-N 3.4Å; W267-F271 WeakPolarHBondContact O-CD2 3.14Å; W267-F271 PolarHBondContact O-N 3.19Å; W267-F271 VanDerWaalsContact O-N 3.14Å |
| 268 | W | 68.5 | Low | 77.5 | Confident | 143 Ų | 143 | 79.9 Ų | 79.9 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 176.5 | -69.2 | 117.8 | 0 | 0 | 0 | 112.1 | L263 T265 Y270 F271 A272 | L263-W268 HydrophobicContact CB-CB 3.94Å; L263-W268 HydrophobicContact CB-CG 4.27Å; L263-W268 HydrophobicContact CD1-CB 3.43Å; L263-W268 VanDerWaalsContact CD1-CB 3.43Å; L263-W268 HydrophobicContact CD1-CD2 4.05Å; L263-W268 HydrophobicContact CD1-CG 3.54Å; L263-W268 HydrophobicContact CG-CB 4.24Å; L263-W268 HydrophobicContact CG-CG 4.3Å; T265-W268 PolarHBondContact O-N 2.93Å; W268-Y270 VanDerWaalsContact C-N 3.33Å; W268-Y270 PolarHBondContact O-N 3.5Å; W268-F271 PolarHBondContact O-N 3.34Å; W268-A272 WeakPolarHBondContact O-CB 3.24Å; W268-A272 PolarHBondContact O-N 2.83Å |
| 269 | T | 72.5 | Confident | 77.6 | Confident | 32 Ų | 32 | 79.6 Ų | 79.6 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.2 | -45.8 | 0 | 0 | 0 | 0 | 111.1 | L258 P266 W267 A272 F273 | L258-T269 HydrophobicContact CD2-CG2 3.5Å; L258-T269 VanDerWaalsContact CD2-CG2 3.5Å; P266-T269 WeakPolarHBondContact O-CB 3.46Å; P266-T269 PolarHBondContact O-N 3.13Å; W267-T269 VanDerWaalsContact C-N 3.27Å; W267-T269 PolarHBondContact O-N 2.82Å; T269-A272 PolarHBondContact O-N 3.39Å; T269-F273 HydrophobicContact CG2-CD2 4.26Å; T269-F273 HydrophobicContact CG2-CE2 3.69Å; T269-F273 HydrophobicContact CG2-CZ 4.41Å; T269-F273 WeakPolarHBondContact O-CD2 3.44Å; T269-F273 PolarHBondContact O-N 3.29Å; T269-F273 VanDerWaalsContact O-N 3.1Å |
| 270 | Y | 78.5 | Confident | 77.7 | Confident | 165 Ų | 165 | 81.7 Ų | 81.7 | 65% | 0.647 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 176.1 | -60.5 | -56.6 | 0 | 0 | 0 | 113.1 | P266 W267 W268 A272 F273 L274 | P266-Y270 HydrophobicContact CB-CE2 4.23Å; P266-Y270 WeakPolarHBondContact O-CD2 3.28Å; P266-Y270 WeakPolarHBondContact O-CE2 3.3Å; P266-Y270 PolarHBondContact O-N 2.86Å; W267-Y270 PolarHBondContact O-N 3.4Å; W268-Y270 VanDerWaalsContact C-N 3.33Å; W268-Y270 PolarHBondContact O-N 3.5Å; Y270-A272 VanDerWaalsContact C-N 3.31Å; Y270-A272 PolarHBondContact O-N 3.15Å; Y270-F273 PolarHBondContact O-N 3.32Å; Y270-L274 PolarHBondContact O-N 3.33Å |
| 271 | F | 80.1 | Confident | 77.8 | Confident | 124 Ų | 124 | 82.6 Ų | 82.6 | 54% | 0.544 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 175 | -76.4 | -65 | 0 | 0 | 0 | 112.1 | W267 W268 F273 L274 F275 | W267-F271 WeakPolarHBondContact O-CD2 3.14Å; W267-F271 PolarHBondContact O-N 3.19Å; W267-F271 VanDerWaalsContact O-N 3.14Å; W268-F271 PolarHBondContact O-N 3.34Å; F271-F273 VanDerWaalsContact C-N 3.26Å; F271-F273 PolarHBondContact O-N 3.17Å; F271-L274 VanDerWaalsContact O-CB 3.23Å; F271-L274 WeakPolarHBondContact O-CB 3.29Å; F271-L274 PolarHBondContact O-N 3.37Å; F271-F275 WeakPolarHBondContact O-CD2 3.26Å |
| 272 | A | 78.2 | Confident | 78.4 | Confident | 18 Ų | 18 | 87.9 Ų | 87.9 | 15% | 0.149 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.3 | -34.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | I257 W268 T269 Y270 L274 F275 | I257-A272 WeakPolarHBondContact CD1-O 3.5Å; I257-A272 HydrophobicContact CG2-CB 3.27Å; W268-A272 WeakPolarHBondContact O-CB 3.24Å; W268-A272 PolarHBondContact O-N 2.83Å; T269-A272 PolarHBondContact O-N 3.39Å; Y270-A272 VanDerWaalsContact C-N 3.31Å; Y270-A272 PolarHBondContact O-N 3.15Å; A272-L274 PolarHBondContact O-N 3.23Å; A272-F275 WeakPolarHBondContact O-CB 3.34Å; A272-F275 PolarHBondContact O-N 3.46Å |
| 273 | F | 82.5 | Confident | 79.6 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 31% | 0.307 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.8 | -24.3 | 172.2 | -73.9 | -57 | 0 | 0 | 0 | 114.2 | T254 L258 T269 Y270 F271 F275 L276 | T254-F273 HydrophobicContact CG2-CE1 3.55Å; T254-F273 HydrophobicContact CG2-CZ 4.02Å; L258-F273 HydrophobicContact CD2-CZ 4.27Å; T269-F273 HydrophobicContact CG2-CD2 4.26Å; T269-F273 HydrophobicContact CG2-CE2 3.69Å; T269-F273 HydrophobicContact CG2-CZ 4.41Å; T269-F273 WeakPolarHBondContact O-CD2 3.44Å; T269-F273 PolarHBondContact O-N 3.29Å; T269-F273 VanDerWaalsContact O-N 3.1Å; Y270-F273 PolarHBondContact O-N 3.32Å; F271-F273 VanDerWaalsContact C-N 3.26Å; F271-F273 PolarHBondContact O-N 3.17Å; F273-F275 PolarHBondContact O-N 3.42Å; F273-L276 HydrophobicContact CB-CD1 4.2Å; F273-L276 HydrophobicContact CD1-CD1 3.5Å; F273-L276 HydrophobicContact CD1-CD2 4.31Å; F273-L276 HydrophobicContact CD1-CG 4.03Å; F273-L276 HydrophobicContact CE1-CD1 4.34Å; F273-L276 HydrophobicContact CG-CD1 4.32Å; F273-L276 WeakPolarHBondContact O-CB 3.25Å; F273-L276 WeakPolarHBondContact O-CG 3.47Å; F273-L276 PolarHBondContact O-N 2.96Å |
| 274 | L | 83 | Confident | 81 | Confident | 123 Ų | 123 | 84.7 Ų | 84.7 | 64% | 0.644 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21 | 172.4 | -173.1 | 60.6 | 0 | 0 | 0 | 112.3 | Y270 F271 A272 P277 | Y270-L274 PolarHBondContact O-N 3.33Å; F271-L274 VanDerWaalsContact O-CB 3.23Å; F271-L274 WeakPolarHBondContact O-CB 3.29Å; F271-L274 PolarHBondContact O-N 3.37Å; A272-L274 PolarHBondContact O-N 3.23Å; L274-P277 WeakPolarHBondContact O-CD 3.25Å |
| 275 | F | 83.1 | Confident | 82.6 | Confident | 118 Ų | 118 | 84.5 Ų | 84.5 | 52% | 0.518 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.8 | 176 | -69.3 | -86.8 | 0 | 0 | 0 | 113.8 | Y253 I257 F271 A272 F273 V278 | Y253-F275 PolarHBondContact OH-O 3.18Å; Y253-F275 VanDerWaalsContact OH-O 3.12Å; I257-F275 HydrophobicContact CD1-CB 4.38Å; F271-F275 WeakPolarHBondContact O-CD2 3.26Å; A272-F275 WeakPolarHBondContact O-CB 3.34Å; A272-F275 PolarHBondContact O-N 3.46Å; F273-F275 PolarHBondContact O-N 3.42Å; F275-V278 HydrophobicContact CB-CG2 4.49Å; F275-V278 HydrophobicContact CD1-CG2 4.14Å; F275-V278 WeakPolarHBondContact O-CB 3.4Å; F275-V278 PolarHBondContact O-N 2.8Å |
| 276 | L | 84.7 | Confident | 83.8 | Confident | 39 Ų | 39 | 83.3 Ų | 83.3 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -50.1 | 177.2 | -64.4 | 175.4 | 0 | 0 | 0 | 113.7 | L250 Y253 I257 F273 V278 P279 | L250-L276 HydrophobicContact CD1-CB 4.24Å; L250-L276 HydrophobicContact CD1-CD1 3.52Å; L250-L276 HydrophobicContact CD1-CD2 4.05Å; L250-L276 HydrophobicContact CD1-CG 4.12Å; Y253-L276 HydrophobicContact CD1-CD2 3.27Å; Y253-L276 HydrophobicContact CD1-CG 4.48Å; Y253-L276 HydrophobicContact CE1-CD2 3.77Å; Y253-L276 HydrophobicContact CG-CD2 4.3Å; I257-L276 HydrophobicContact CD1-CD2 4.38Å; F273-L276 HydrophobicContact CB-CD1 4.2Å; F273-L276 HydrophobicContact CD1-CD1 3.5Å; F273-L276 HydrophobicContact CD1-CD2 4.31Å; F273-L276 HydrophobicContact CD1-CG 4.03Å; F273-L276 HydrophobicContact CE1-CD1 4.34Å; F273-L276 HydrophobicContact CG-CD1 4.32Å; F273-L276 WeakPolarHBondContact O-CB 3.25Å; F273-L276 WeakPolarHBondContact O-CG 3.47Å; F273-L276 PolarHBondContact O-N 2.96Å; L276-V278 VanDerWaalsContact C-N 3.29Å; L276-V278 PolarHBondContact O-N 3.43Å; L276-P279 WeakPolarHBondContact O-CD 3.48Å |
| 277 | P | 87.1 | Confident | 84.7 | Confident | 59 Ų | 59 | 80.2 Ų | 80.2 | 38% | 0.383 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -9.9 | -178.5 | 32.9 | -39.2 | 0 | 0 | 0 | 113.6 | L274 T280 I281 | L274-P277 WeakPolarHBondContact O-CD 3.25Å; P277-T280 PolarHBondContact O-N 3.12Å; P277-T280 VanDerWaalsContact O-N 3.13Å; P277-I281 HydrophobicContact CB-CD1 3.88Å; P277-I281 HydrophobicContact CB-CG1 4.35Å; P277-I281 HydrophobicContact CG-CD1 4.13Å; P277-I281 WeakPolarHBondContact O-CG1 3.36Å; P277-I281 PolarHBondContact O-N 3.44Å |
| 278 | V | 89.4 | Confident | 85.2 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.7 | -46.9 | -171.3 | 171 | 0 | 0 | 0 | 0 | 112.7 | F275 L276 T280 I281 F282 | F275-V278 HydrophobicContact CB-CG2 4.49Å; F275-V278 HydrophobicContact CD1-CG2 4.14Å; F275-V278 WeakPolarHBondContact O-CB 3.4Å; F275-V278 PolarHBondContact O-N 2.8Å; L276-V278 VanDerWaalsContact C-N 3.29Å; L276-V278 PolarHBondContact O-N 3.43Å; V278-T280 VanDerWaalsContact C-N 3.3Å; V278-T280 PolarHBondContact O-N 3.02Å; V278-I281 PolarHBondContact O-N 3.31Å; V278-F282 VanDerWaalsContact O-CB 3.29Å; V278-F282 WeakPolarHBondContact O-CB 3.33Å; V278-F282 PolarHBondContact O-N 3.5Å |
| 279 | P | 90.9 | Very high | 85.9 | Confident | 23 Ų | 23 | 79 Ų | 79 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60 | -39.4 | 177.6 | -24.3 | 34.9 | 0 | 0 | 0 | 112.9 | I214 Y253 L276 F282 Y283 | I214-P279 HydrophobicContact CG1-CG 4.36Å; Y253-P279 HydrophobicContact CE2-CG 3.84Å; L276-P279 WeakPolarHBondContact O-CD 3.48Å; P279-F282 PolarHBondContact O-N 3.22Å; P279-Y283 WeakPolarHBondContact O-CB 3.12Å; P279-Y283 PolarHBondContact O-N 2.77Å |
| 280 | T | 91.1 | Very high | 86.2 | Confident | 45 Ų | 45 | 81.7 Ų | 81.7 | 28% | 0.276 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | N217 L221 P277 V278 F282 Y283 L284 | N217-T280 PolarHBondContact ND2-OG1 3.34Å; L221-T280 HydrophobicContact CD1-CG2 4.05Å; L221-T280 HydrophobicContact CD2-CG2 4.48Å; P277-T280 PolarHBondContact O-N 3.12Å; P277-T280 VanDerWaalsContact O-N 3.13Å; V278-T280 VanDerWaalsContact C-N 3.3Å; V278-T280 PolarHBondContact O-N 3.02Å; T280-F282 VanDerWaalsContact C-N 3.33Å; T280-F282 PolarHBondContact O-N 2.86Å; T280-Y283 PolarHBondContact O-N 2.93Å; T280-L284 HydrophobicContact CG2-CD1 4.18Å; T280-L284 WeakPolarHBondContact O-CB 3.46Å; T280-L284 VanDerWaalsContact O-CG 3.24Å; T280-L284 WeakPolarHBondContact O-CG 3.42Å; T280-L284 PolarHBondContact O-N 3.29Å |
| 281 | I | 91.5 | Very high | 85.9 | Confident | 88 Ų | 88 | 76 Ų | 76 | 45% | 0.451 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.2 | -68.1 | 167.5 | 0 | 0 | 0 | 109.8 | P277 V278 Y283 L284 L285 | P277-I281 HydrophobicContact CB-CD1 3.88Å; P277-I281 HydrophobicContact CB-CG1 4.35Å; P277-I281 HydrophobicContact CG-CD1 4.13Å; P277-I281 WeakPolarHBondContact O-CG1 3.36Å; P277-I281 PolarHBondContact O-N 3.44Å; V278-I281 PolarHBondContact O-N 3.31Å; I281-Y283 VanDerWaalsContact C-N 3.35Å; I281-Y283 PolarHBondContact O-N 3.19Å; I281-L284 PolarHBondContact O-N 3.07Å; I281-L285 HydrophobicContact CG2-CD1 3.94Å; I281-L285 HydrophobicContact CG2-CG 4.34Å; I281-L285 VanDerWaalsContact O-CG 3.31Å; I281-L285 WeakPolarHBondContact O-CG 3.31Å; I281-L285 PolarHBondContact O-N 2.92Å |
| 282 | F | 91.9 | Very high | 85.6 | Confident | 133 Ų | 133 | 74.8 Ų | 74.8 | 58% | 0.583 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.9 | -45.4 | 177.6 | -179.2 | -98.3 | 0 | 0 | 0 | 111.7 | V278 P279 T280 L284 L285 T286 | V278-F282 VanDerWaalsContact O-CB 3.29Å; V278-F282 WeakPolarHBondContact O-CB 3.33Å; V278-F282 PolarHBondContact O-N 3.5Å; P279-F282 PolarHBondContact O-N 3.22Å; T280-F282 VanDerWaalsContact C-N 3.33Å; T280-F282 PolarHBondContact O-N 2.86Å; F282-L284 PolarHBondContact O-N 3.07Å; F282-L285 PolarHBondContact O-N 3.42Å; F282-T286 HydrophobicContact CD1-CG2 4.47Å; F282-T286 HydrophobicContact CD2-CG2 4.4Å; F282-T286 HydrophobicContact CE1-CG2 4.06Å; F282-T286 HydrophobicContact CE2-CG2 3.99Å; F282-T286 HydrophobicContact CZ-CG2 3.8Å; F282-T286 WeakPolarHBondContact O-CB 3.47Å; F282-T286 WeakPolarHBondContact O-CG2 3.29Å; F282-T286 PolarHBondContact O-N 3.04Å; F282-T286 PolarHBondContact O-OG1 3.07Å |
| 283 | Y | 92.1 | Very high | 85.3 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 15% | 0.153 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 173.8 | -175.1 | -85.3 | 0 | 0 | 0 | 111.6 | L221 A222 Q227 I232 P279 T280 I281 L285 T286 I287 | L221-Y283 HydrophobicContact CB-CD1 3.73Å; L221-Y283 HydrophobicContact CB-CD2 4.28Å; L221-Y283 HydrophobicContact CB-CE1 3.6Å; L221-Y283 HydrophobicContact CB-CE2 4.15Å; L221-Y283 HydrophobicContact CB-CG 4.09Å; L221-Y283 HydrophobicContact CD1-CD1 3.77Å; L221-Y283 HydrophobicContact CD1-CD2 4.38Å; L221-Y283 HydrophobicContact CD1-CG 3.71Å; L221-Y283 HydrophobicContact CG-CD1 4.31Å; A222-Y283 VanDerWaalsContact CA-OH 3.3Å; A222-Y283 WeakPolarHBondContact CA-OH 3.42Å; A222-Y283 PolarHBondContact N-OH 3.13Å; Q227-Y283 PolarHBondContact OE1-OH 3.09Å; I232-Y283 HydrophobicContact CD1-CE1 4.26Å; P279-Y283 WeakPolarHBondContact O-CB 3.12Å; P279-Y283 PolarHBondContact O-N 2.77Å; T280-Y283 PolarHBondContact O-N 2.93Å; I281-Y283 VanDerWaalsContact C-N 3.35Å; I281-Y283 PolarHBondContact O-N 3.19Å; Y283-L285 VanDerWaalsContact C-N 3.27Å; Y283-L285 PolarHBondContact O-N 2.86Å; Y283-T286 PolarHBondContact O-N 3.13Å; Y283-T286 VanDerWaalsContact O-N 3.12Å; Y283-T286 PolarHBondContact O-OG1 3.22Å; Y283-I287 HydrophobicContact CE1-CB 4.43Å; Y283-I287 HydrophobicContact CE1-CD1 3.87Å; Y283-I287 HydrophobicContact CE1-CG1 4.21Å; Y283-I287 WeakPolarHBondContact O-CB 3.45Å; Y283-I287 PolarHBondContact O-N 3.34Å |
| 284 | L | 91.4 | Very high | 84.5 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 22% | 0.215 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.8 | -29.4 | -179.8 | -68.6 | 173.2 | 0 | 0 | 0 | 113.5 | P229 I232 T280 I281 F282 I287 | P229-L284 HydrophobicContact CB-CD2 4.19Å; I232-L284 HydrophobicContact CB-CD2 4.25Å; I232-L284 HydrophobicContact CD1-CD2 4.24Å; I232-L284 HydrophobicContact CG2-CD2 4.1Å; T280-L284 HydrophobicContact CG2-CD1 4.18Å; T280-L284 WeakPolarHBondContact O-CB 3.46Å; T280-L284 VanDerWaalsContact O-CG 3.24Å; T280-L284 WeakPolarHBondContact O-CG 3.42Å; T280-L284 PolarHBondContact O-N 3.29Å; I281-L284 PolarHBondContact O-N 3.07Å; F282-L284 PolarHBondContact O-N 3.07Å; L284-I287 VanDerWaalsContact O-CG2 3.23Å; L284-I287 WeakPolarHBondContact O-CG2 3.36Å |
| 285 | L | 91.1 | Very high | 83.7 | Confident | 121 Ų | 121 | 78.6 Ų | 78.6 | 63% | 0.634 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -76.6 | -33.9 | 174.5 | -69.1 | 174.5 | 0 | 0 | 0 | 112.2 | I281 F282 Y283 | I281-L285 HydrophobicContact CG2-CD1 3.94Å; I281-L285 HydrophobicContact CG2-CG 4.34Å; I281-L285 VanDerWaalsContact O-CG 3.31Å; I281-L285 WeakPolarHBondContact O-CG 3.31Å; I281-L285 PolarHBondContact O-N 2.92Å; F282-L285 PolarHBondContact O-N 3.42Å; Y283-L285 VanDerWaalsContact C-N 3.27Å; Y283-L285 PolarHBondContact O-N 2.86Å |
| 286 | T | 90.8 | Very high | 83 | Confident | 38 Ų | 38 | 76.4 Ų | 76.4 | 23% | 0.233 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -92.9 | -14.8 | -175.1 | 53 | 0 | 0 | 0 | 0 | 114.3 | F282 Y283 K288 F289 T290 | F282-T286 HydrophobicContact CD1-CG2 4.47Å; F282-T286 HydrophobicContact CD2-CG2 4.4Å; F282-T286 HydrophobicContact CE1-CG2 4.06Å; F282-T286 HydrophobicContact CE2-CG2 3.99Å; F282-T286 HydrophobicContact CZ-CG2 3.8Å; F282-T286 WeakPolarHBondContact O-CB 3.47Å; F282-T286 WeakPolarHBondContact O-CG2 3.29Å; F282-T286 PolarHBondContact O-N 3.04Å; F282-T286 PolarHBondContact O-OG1 3.07Å; Y283-T286 PolarHBondContact O-N 3.13Å; Y283-T286 VanDerWaalsContact O-N 3.12Å; Y283-T286 PolarHBondContact O-OG1 3.22Å; T286-K288 PolarHBondContact O-N 3.26Å; T286-K288 VanDerWaalsContact O-N 3.14Å; T286-F289 PolarHBondContact O-N 2.92Å; T286-T290 PolarHBondContact O-N 3.14Å; T286-T290 PolarHBondContact O-OG1 2.99Å |
| 287 | I | 87.8 | Confident | 82.1 | Confident | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.036 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -52.6 | -38.6 | -179.6 | -164.8 | 172.6 | 0 | 0 | 0 | 113.2 | Q227 P229 I232 Y283 L284 F289 T290 D291 | Q227-I287 VanDerWaalsContact C-CD1 3.5Å; Q227-I287 HydrophobicContact CB-CD1 3.93Å; Q227-I287 HydrophobicContact CB-CG1 4.27Å; Q227-I287 WeakPolarHBondContact O-CD1 3.23Å; Q227-I287 VanDerWaalsContact OE1-CD1 3.26Å; P229-I287 HydrophobicContact CG-CG2 3.98Å; I232-I287 HydrophobicContact CD1-CD1 3.28Å; Y283-I287 HydrophobicContact CE1-CB 4.43Å; Y283-I287 HydrophobicContact CE1-CD1 3.87Å; Y283-I287 HydrophobicContact CE1-CG1 4.21Å; Y283-I287 WeakPolarHBondContact O-CB 3.45Å; Y283-I287 PolarHBondContact O-N 3.34Å; L284-I287 VanDerWaalsContact O-CG2 3.23Å; L284-I287 WeakPolarHBondContact O-CG2 3.36Å; I287-F289 PolarHBondContact O-N 2.92Å; I287-T290 PolarHBondContact O-N 3.41Å; I287-T290 VanDerWaalsContact O-N 3.07Å; I287-D291 PolarHBondContact O-N 3.14Å; I287-D291 VanDerWaalsContact O-N 3.13Å |
| 288 | K | 83.3 | Confident | 81.1 | Confident | 150 Ų | 150 | 85 Ų | 85 | 65% | 0.652 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.2 | -35 | 178.3 | -175.6 | -177.7 | 176 | -173.3 | 0 | 112.1 | T286 N294 | T286-K288 PolarHBondContact O-N 3.26Å; T286-K288 VanDerWaalsContact O-N 3.14Å; K288-N294 PolarHBondContact O-ND2 3.29Å |
| 289 | F | 82.9 | Confident | 79.3 | Confident | 158 Ų | 158 | 91.8 Ų | 91.8 | 69% | 0.693 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -85.4 | -16 | 179.5 | -56.3 | -66.7 | 0 | 0 | 0 | 112.9 | T286 I287 | T286-F289 PolarHBondContact O-N 2.92Å; I287-F289 PolarHBondContact O-N 2.92Å |
| 290 | T | 79.1 | Confident | 78.7 | Confident | 90 Ų | 90 | 95.2 Ų | 95.2 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -98.3 | -14.3 | -174.4 | -42.2 | 0 | 0 | 0 | 0 | 112.5 | T286 I287 | T286-T290 PolarHBondContact O-N 3.14Å; T286-T290 PolarHBondContact O-OG1 2.99Å; I287-T290 PolarHBondContact O-N 3.41Å; I287-T290 VanDerWaalsContact O-N 3.07Å |
| 291 | D | 72.3 | Confident | 78.1 | Confident | 46 Ų | 46 | 97.8 Ų | 97.8 | 25% | 0.246 | 51% | 0.513 | C | S | . | . | trans | -59.8 | 121.6 | 177.8 | -175 | -13.1 | 0 | 0 | 0 | 111.1 | I287 L293 N294 L295 | I287-D291 PolarHBondContact O-N 3.14Å; I287-D291 VanDerWaalsContact O-N 3.13Å; D291-L293 PolarHBondContact O-N 3.38Å; D291-L293 VanDerWaalsContact O-N 3.11Å; D291-L293 WeakPolarHBondContact OD1-CB 3.07Å; D291-L293 PolarHBondContact OD1-N 2.94Å; D291-N294 WeakPolarHBondContact O-CB 3.5Å; D291-N294 PolarHBondContact O-N 3.11Å; D291-L295 PolarHBondContact O-N 3.42Å | ||
| 292 | P | 73.4 | Confident | 77.3 | Confident | 97 Ų | 97 | 98.4 Ų | 98.4 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.9 | -27.5 | 178.9 | 22.8 | -34.3 | 0 | 0 | 0 | 113.2 | N294 L295 A296 | P292-N294 PolarHBondContact O-N 3.16Å; P292-L295 PolarHBondContact O-N 3.48Å; P292-A296 PolarHBondContact O-N 2.9Å; P292-A296 VanDerWaalsContact O-N 3.16Å |
| 293 | L | 72.5 | Confident | 76.5 | Confident | 119 Ų | 119 | 96.4 Ų | 96.4 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -24.8 | 175.4 | -67.3 | 171.5 | 0 | 0 | 0 | 112.9 | D291 K297 | D291-L293 PolarHBondContact O-N 3.38Å; D291-L293 VanDerWaalsContact O-N 3.11Å; D291-L293 WeakPolarHBondContact OD1-CB 3.07Å; D291-L293 PolarHBondContact OD1-N 2.94Å; L293-K297 WeakPolarHBondContact O-CG 3.49Å |
| 294 | N | 65.6 | Low | 75.5 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 29% | 0.294 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -86.9 | -30.1 | 176.4 | -66.9 | -34.9 | 0 | 0 | 0 | 111.9 | K288 D291 P292 A296 K297 | K288-N294 PolarHBondContact O-ND2 3.29Å; D291-N294 WeakPolarHBondContact O-CB 3.5Å; D291-N294 PolarHBondContact O-N 3.11Å; P292-N294 PolarHBondContact O-N 3.16Å; N294-A296 VanDerWaalsContact C-N 3.29Å; N294-A296 PolarHBondContact O-N 2.79Å; N294-K297 PolarHBondContact O-N 3.25Å |
| 295 | L | 65 | Low | 74.4 | Confident | 117 Ų | 117 | 103.9 Ų | 103.9 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.8 | -35.3 | 172.1 | -64.4 | 175.1 | 0 | 0 | 0 | 111.7 | D291 P292 K297 | D291-L295 PolarHBondContact O-N 3.42Å; P292-L295 PolarHBondContact O-N 3.48Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.31Å |
| 296 | A | 69.9 | Low | 73.2 | Confident | 72 Ų | 72 | 102.6 Ų | 102.6 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -20.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P292 N294 | P292-A296 PolarHBondContact O-N 2.9Å; P292-A296 VanDerWaalsContact O-N 3.16Å; N294-A296 VanDerWaalsContact C-N 3.29Å; N294-A296 PolarHBondContact O-N 2.79Å |
| 297 | K | 66 | Low | 71.9 | Confident | 156 Ų | 156 | 107.6 Ų | 107.6 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -7.2 | -177.7 | -73.4 | 175.6 | -175 | 168.3 | 0 | 114.5 | L293 N294 L295 | L293-K297 WeakPolarHBondContact O-CG 3.49Å; N294-K297 PolarHBondContact O-N 3.25Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.31Å |
| 298 | V | 66.2 | Low | 70.6 | Confident | 124 Ų | 124 | 116 Ų | 116 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | trans | -91.2 | -5.5 | -177.5 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 299 | N | 50.6 | Low | 69.4 | Low | 208 Ų | 208 | 112.9 Ų | 112.9 | 100% | 1.112 | 62% | 0.617 | S | S | * | * | trans | -100.6 | 0 | 166.7 | -68.3 | -15.7 | 0 | 0 | 0 | 110.6 |
Retrieved 299 of 299 residues in 326.2 ms
(Link to these results)