| 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 | 43 | Very low | 68 | Low | 113 Ų | 113 | 97.1 Ų | 97.1 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | 0 | 129 | 0 | -73.2 | -170.9 | 167 | 0 | 0 | 106.9 | L5 R409 L490 | M1-L5 HydrophobicContact CE-CD1 4.42Å; M1-L5 HydrophobicContact SD-CD1 4.01Å; M1-R409 VanDerWaalsContact N-CZ 3.27Å; M1-L490 HydrophobicContact CE-CD2 3.65Å | |||
| 2 | P | 38.1 | Very low | 70.1 | Confident | 82 Ų | 82 | 92.2 Ų | 92.2 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | trans | -63.5 | 159 | 168.5 | 17.2 | -9.9 | 0 | 0 | 0 | 109.7 | ||||
| 3 | S | 43.6 | Very low | 71.7 | Confident | 113 Ų | 113 | 86.2 Ų | 86.2 | 79% | 0.79 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -40.2 | 130.1 | 167.9 | 31.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 4 | R | 53.4 | Low | 73.3 | Confident | 231 Ų | 231 | 87.4 Ų | 87.4 | 87% | 0.872 | 45% | 0.45 | S | S | * | . | trans | 37.2 | 94.9 | 174.7 | -71.2 | -175.1 | -170.6 | -172.4 | 2.8 | 115.6 | S6 | R4-S6 PolarHBondContact O-N 3.43Š| ||
| 5 | L | 62.6 | Low | 74.8 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 19% | 0.194 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 132.9 | 159 | -74.3 | 161.1 | 0 | 0 | 0 | 108.7 | M1 R431 L490 | M1-L5 HydrophobicContact CE-CD1 4.42Å; M1-L5 HydrophobicContact SD-CD1 4.01Å; L5-R431 HydrophobicContact CD2-CB 4.14Å; L5-R431 HydrophobicContact CD2-CG 4.42Å; L5-L490 HydrophobicContact CD1-CD2 3.9Å |
| 6 | S | 71.8 | Confident | 76.1 | Confident | 25 Ų | 25 | 82.8 Ų | 82.8 | 18% | 0.175 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 137.3 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | R4 L8 L427 A428 R431 | R4-S6 PolarHBondContact O-N 3.43Å; S6-L8 PolarHBondContact O-N 3.12Å; S6-L427 PolarHBondContact OG-O 3.37Å; S6-A428 VanDerWaalsContact OG-CA 3.29Å; S6-A428 WeakPolarHBondContact OG-CA 3.18Å; S6-A428 PolarHBondContact OG-N 3Å; S6-R431 WeakPolarHBondContact O-CD 3.47Å; S6-R431 PolarHBondContact O-NH1 3.39Å |
| 7 | T | 76.6 | Confident | 77.1 | Confident | 105 Ų | 105 | 83.6 Ų | 83.6 | 64% | 0.644 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -65 | 127.6 | 165.5 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 8 | L | 85.7 | Confident | 78.1 | Confident | 13 Ų | 13 | 84.9 Ų | 84.9 | 7% | 0.068 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 160.9 | 174.7 | -64.3 | 170.5 | 0 | 0 | 0 | 109.8 | S6 W10 I13 Y16 A428 R431 | S6-L8 PolarHBondContact O-N 3.12Å; L8-W10 PolarHBondContact O-N 3.42Å; L8-I13 HydrophobicContact CB-CD1 3.8Å; L8-I13 HydrophobicContact CB-CG1 3.99Å; L8-I13 HydrophobicContact CD1-CD1 4.05Å; L8-I13 HydrophobicContact CG-CD1 4.4Å; L8-Y16 HydrophobicContact CD1-CE2 4.03Å; L8-A428 HydrophobicContact CD2-CB 3.97Å; L8-R431 HydrophobicContact CD1-CG 4.48Å |
| 9 | P | 89.3 | Confident | 79 | Confident | 80 Ų | 80 | 84.5 Ų | 84.5 | 52% | 0.519 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 139.5 | 175.7 | -24.9 | 34.7 | 0 | 0 | 0 | 111.9 | P11 E12 I13 | P9-P11 VanDerWaalsContact C-CD 3.44Å; P9-P11 VanDerWaalsContact C-N 3.33Å; P9-E12 WeakPolarHBondContact O-CB 3.5Å; P9-E12 PolarHBondContact O-N 2.76Å; P9-I13 PolarHBondContact O-N 3.34Å; P9-I13 VanDerWaalsContact O-N 3.11Å |
| 10 | W | 89.2 | Confident | 79.7 | Confident | 187 Ų | 187 | 80.7 Ų | 80.7 | 71% | 0.708 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -53.5 | -41.3 | -178.8 | -176.6 | 91.1 | 0 | 0 | 0 | 114 | L8 E12 I13 F14 | L8-W10 PolarHBondContact O-N 3.42Å; W10-E12 VanDerWaalsContact C-N 3.3Å; W10-E12 PolarHBondContact O-N 3.41Å; W10-I13 PolarHBondContact O-N 2.9Å; W10-F14 HydrophobicContact CD2-CB 4.5Å; W10-F14 HydrophobicContact CE3-CB 4.38Å; W10-F14 HydrophobicContact CH2-CB 4.29Å; W10-F14 AromaticContact CH2-CD2 3.93Å; W10-F14 HydrophobicContact CH2-CD2 3.93Å; W10-F14 HydrophobicContact CH2-CE2 4.46Å; W10-F14 HydrophobicContact CH2-CG 4.04Å; W10-F14 HydrophobicContact CZ2-CB 4.41Å; W10-F14 AromaticContact CZ2-CD2 3.99Å; W10-F14 HydrophobicContact CZ2-CD2 3.99Å; W10-F14 HydrophobicContact CZ2-CG 4.36Å; W10-F14 HydrophobicContact CZ3-CB 4.27Å; W10-F14 HydrophobicContact CZ3-CG 4.32Å; W10-F14 WeakPolarHBondContact O-CB 3.49Å; W10-F14 PolarHBondContact O-N 3.13Å |
| 11 | P | 94.3 | Very high | 80.3 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 176.3 | -23.9 | 34.8 | 0 | 0 | 0 | 113.1 | P9 F14 V15 | P9-P11 VanDerWaalsContact C-CD 3.44Å; P9-P11 VanDerWaalsContact C-N 3.33Å; P11-F14 PolarHBondContact O-N 3.08Å; P11-V15 WeakPolarHBondContact O-CG2 3.2Å; P11-V15 PolarHBondContact O-N 3.41Å |
| 12 | E | 93.7 | Very high | 82.8 | Confident | 38 Ų | 38 | 77.1 Ų | 77.1 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 177.3 | -179.8 | 178.1 | 173.3 | 0 | 0 | 110.6 | P9 W10 F14 V15 Y16 R432 | P9-E12 WeakPolarHBondContact O-CB 3.5Å; P9-E12 PolarHBondContact O-N 2.76Å; W10-E12 VanDerWaalsContact C-N 3.3Å; W10-E12 PolarHBondContact O-N 3.41Å; E12-F14 VanDerWaalsContact C-N 3.34Å; E12-F14 PolarHBondContact O-N 2.94Å; E12-V15 PolarHBondContact O-N 2.95Å; E12-Y16 HydrophobicContact CG-CD2 4.2Å; E12-Y16 HydrophobicContact CG-CE2 3.41Å; E12-Y16 VanDerWaalsContact CG-CE2 3.41Å; E12-Y16 VanDerWaalsContact O-CD2 3.3Å; E12-Y16 WeakPolarHBondContact O-CD2 3.31Å; E12-Y16 PolarHBondContact O-N 3.46Å; E12-Y16 VanDerWaalsContact O-N 3.1Å; E12-Y16 PolarHBondContact OE1-OH 3.31Å; E12-R432 IonicContact OE1-CZ 3.98Å; E12-R432 IonicContact OE1-NE 3.83Å; E12-R432 PolarHBondContact OE1-NE 3.22Å; E12-R432 IonicContact OE1-NH2 2.86Å; E12-R432 PolarHBondContact OE1-NH2 3.24Å; E12-R432 IonicContact OE2-CZ 3.98Å; E12-R432 IonicContact OE2-NE 3.14Å; E12-R432 IonicContact OE2-NH2 3.06Å; E12-R432 PolarHBondContact OE2-NH2 2.92Å |
| 13 | I | 91.2 | Very high | 85.5 | Confident | 14 Ų | 14 | 73.9 Ų | 73.9 | 7% | 0.072 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.1 | -64.5 | -59 | 0 | 0 | 0 | 111.8 | L8 P9 W10 V15 Y16 W17 R431 E491 | L8-I13 HydrophobicContact CB-CD1 3.8Å; L8-I13 HydrophobicContact CB-CG1 3.99Å; L8-I13 HydrophobicContact CD1-CD1 4.05Å; L8-I13 HydrophobicContact CG-CD1 4.4Å; P9-I13 PolarHBondContact O-N 3.34Å; P9-I13 VanDerWaalsContact O-N 3.11Å; W10-I13 PolarHBondContact O-N 2.9Å; I13-V15 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 2.92Å; I13-Y16 HydrophobicContact CD1-CD2 4.21Å; I13-Y16 PolarHBondContact O-N 3.41Å; I13-W17 PolarHBondContact O-N 3.37Å; I13-R431 VanDerWaalsContact CD1-NH2 3.31Å; I13-E491 HydrophobicContact CG2-CG 4.4Å |
| 14 | F | 93.8 | Very high | 87.9 | Confident | 103 Ų | 103 | 69.5 Ų | 69.5 | 45% | 0.452 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 177.7 | 179.9 | -102.4 | 0 | 0 | 0 | 111.7 | W10 P11 E12 W17 L18 | W10-F14 HydrophobicContact CD2-CB 4.5Å; W10-F14 HydrophobicContact CE3-CB 4.38Å; W10-F14 HydrophobicContact CH2-CB 4.29Å; W10-F14 AromaticContact CH2-CD2 3.93Å; W10-F14 HydrophobicContact CH2-CD2 3.93Å; W10-F14 HydrophobicContact CH2-CE2 4.46Å; W10-F14 HydrophobicContact CH2-CG 4.04Å; W10-F14 HydrophobicContact CZ2-CB 4.41Å; W10-F14 AromaticContact CZ2-CD2 3.99Å; W10-F14 HydrophobicContact CZ2-CD2 3.99Å; W10-F14 HydrophobicContact CZ2-CG 4.36Å; W10-F14 HydrophobicContact CZ3-CB 4.27Å; W10-F14 HydrophobicContact CZ3-CG 4.32Å; W10-F14 WeakPolarHBondContact O-CB 3.49Å; W10-F14 PolarHBondContact O-N 3.13Å; P11-F14 PolarHBondContact O-N 3.08Å; E12-F14 VanDerWaalsContact C-N 3.34Å; E12-F14 PolarHBondContact O-N 2.94Å; F14-W17 WeakPolarHBondContact O-CB 3.2Å; F14-W17 PolarHBondContact O-N 3.35Å; F14-L18 WeakPolarHBondContact O-CB 3.31Å; F14-L18 PolarHBondContact O-N 3.39Å |
| 15 | V | 96.1 | Very high | 89.9 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | P11 E12 I13 W17 L18 L19 | P11-V15 WeakPolarHBondContact O-CG2 3.2Å; P11-V15 PolarHBondContact O-N 3.41Å; E12-V15 PolarHBondContact O-N 2.95Å; I13-V15 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 2.92Å; V15-W17 VanDerWaalsContact C-N 3.32Å; V15-W17 PolarHBondContact O-N 2.81Å; V15-L18 PolarHBondContact O-N 3.31Å; V15-L19 HydrophobicContact CG1-CD1 3.75Å; V15-L19 HydrophobicContact CG1-CG 4.2Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 2.89Å |
| 16 | Y | 94.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 68.7 Ų | 68.7 | 12% | 0.118 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.1 | -62.8 | -37.1 | 0 | 0 | 0 | 112.6 | L8 E12 I13 S20 Y483 C484 Q487 | L8-Y16 HydrophobicContact CD1-CE2 4.03Å; E12-Y16 HydrophobicContact CG-CD2 4.2Å; E12-Y16 HydrophobicContact CG-CE2 3.41Å; E12-Y16 VanDerWaalsContact CG-CE2 3.41Å; E12-Y16 VanDerWaalsContact O-CD2 3.3Å; E12-Y16 WeakPolarHBondContact O-CD2 3.31Å; E12-Y16 PolarHBondContact O-N 3.46Å; E12-Y16 VanDerWaalsContact O-N 3.1Å; E12-Y16 PolarHBondContact OE1-OH 3.31Å; I13-Y16 HydrophobicContact CD1-CD2 4.21Å; I13-Y16 PolarHBondContact O-N 3.41Å; Y16-S20 WeakPolarHBondContact O-CB 3.29Å; Y16-S20 PolarHBondContact O-N 2.93Å; Y16-Y483 HydrophobicContact CE1-CD1 4.31Å; Y16-Y483 AromaticContact CE1-CE1 3.84Å; Y16-Y483 HydrophobicContact CE1-CE1 3.84Å; Y16-Y483 AromaticContact CZ-CE1 3.9Å; Y16-C484 HydrophobicContact CD1-CB 4.14Å; Y16-Q487 HydrophobicContact CD2-CB 3.47Å; Y16-Q487 VanDerWaalsContact CD2-CB 3.47Å; Y16-Q487 HydrophobicContact CD2-CG 3.72Å; Y16-Q487 HydrophobicContact CE2-CB 3.9Å; Y16-Q487 HydrophobicContact CE2-CG 3.61Å; Y16-Q487 HydrophobicContact CG-CB 3.92Å; Y16-Q487 HydrophobicContact CG-CG 4.24Å |
| 17 | W | 93.4 | Very high | 92.7 | Very high | 97 Ų | 97 | 67.6 Ų | 67.6 | 37% | 0.367 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -49 | 173.4 | -92.2 | 107 | 0 | 0 | 0 | 112.4 | I13 F14 V15 S20 L21 V488 | I13-W17 PolarHBondContact O-N 3.37Å; F14-W17 WeakPolarHBondContact O-CB 3.2Å; F14-W17 PolarHBondContact O-N 3.35Å; V15-W17 VanDerWaalsContact C-N 3.32Å; V15-W17 PolarHBondContact O-N 2.81Å; W17-S20 PolarHBondContact O-N 2.92Å; W17-L21 HydrophobicContact CE3-CD1 3.9Å; W17-L21 HydrophobicContact CE3-CG 4.1Å; W17-L21 HydrophobicContact CZ3-CD1 4.34Å; W17-L21 HydrophobicContact CZ3-CG 4.47Å; W17-L21 WeakPolarHBondContact O-CB 3.44Å; W17-L21 WeakPolarHBondContact O-CG 3.35Å; W17-L21 PolarHBondContact O-N 3.44Å; W17-V488 HydrophobicContact CB-CG2 4.5Å; W17-V488 HydrophobicContact CD2-CG1 3.83Å; W17-V488 HydrophobicContact CD2-CG2 3.85Å; W17-V488 HydrophobicContact CE3-CG1 4.07Å; W17-V488 HydrophobicContact CE3-CG2 4.41Å; W17-V488 HydrophobicContact CG-CG2 3.86Å; W17-V488 HydrophobicContact CH2-CG1 3.55Å; W17-V488 HydrophobicContact CZ2-CG1 3.26Å; W17-V488 HydrophobicContact CZ3-CG1 3.95Å |
| 18 | L | 95.8 | Very high | 93.7 | Very high | 108 Ų | 108 | 64.8 Ų | 64.8 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.7 | -46.6 | -179.1 | -177.7 | 65.7 | 0 | 0 | 0 | 111.3 | F14 V15 G22 | F14-L18 WeakPolarHBondContact O-CB 3.31Å; F14-L18 PolarHBondContact O-N 3.39Å; V15-L18 PolarHBondContact O-N 3.31Å; L18-G22 WeakPolarHBondContact O-CA 3.34Å; L18-G22 PolarHBondContact O-N 3.21Å |
| 19 | L | 95.4 | Very high | 94.3 | Very high | 76 Ų | 76 | 70.4 Ų | 70.4 | 40% | 0.398 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 178.2 | -69.9 | 175.8 | 0 | 0 | 0 | 111.7 | V15 S23 C484 | V15-L19 HydrophobicContact CG1-CD1 3.75Å; V15-L19 HydrophobicContact CG1-CG 4.2Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 2.89Å; L19-S23 VanDerWaalsContact O-CB 3.26Å; L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 2.49Å; L19-S23 PolarHBondContact O-OG 3.14Å; L19-C484 HydrophobicContact CB-CB 4.42Å |
| 20 | S | 92.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 68.3 Ų | 68.3 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.4 | -51.2 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | Y16 W17 S23 H24 | Y16-S20 WeakPolarHBondContact O-CB 3.29Å; Y16-S20 PolarHBondContact O-N 2.93Å; W17-S20 PolarHBondContact O-N 2.92Å; S20-S23 PolarHBondContact O-OG 2.95Å; S20-H24 PolarHBondContact O-N 2.92Å; S20-H24 PolarHBondContact O-ND1 3.38Å |
| 21 | L | 92.8 | Very high | 95.1 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 43% | 0.429 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 179 | -70.2 | 174.2 | 0 | 0 | 0 | 111.5 | W17 S23 H24 F25 | W17-L21 HydrophobicContact CE3-CD1 3.9Å; W17-L21 HydrophobicContact CE3-CG 4.1Å; W17-L21 HydrophobicContact CZ3-CD1 4.34Å; W17-L21 HydrophobicContact CZ3-CG 4.47Å; W17-L21 WeakPolarHBondContact O-CB 3.44Å; W17-L21 WeakPolarHBondContact O-CG 3.35Å; W17-L21 PolarHBondContact O-N 3.44Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 3.11Å; L21-H24 PolarHBondContact O-N 3.36Å; L21-F25 HydrophobicContact CB-CD2 4.44Å; L21-F25 HydrophobicContact CB-CE2 4.33Å; L21-F25 WeakPolarHBondContact O-CD2 3.32Å; L21-F25 PolarHBondContact O-N 3.43Å |
| 22 | G | 95.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 38% | 0.381 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L18 H24 F25 Y26 | L18-G22 WeakPolarHBondContact O-CA 3.34Å; L18-G22 PolarHBondContact O-N 3.21Å; G22-H24 PolarHBondContact O-N 3.06Å; G22-F25 PolarHBondContact O-N 3.41Å; G22-Y26 VanDerWaalsContact O-CB 3.25Å; G22-Y26 WeakPolarHBondContact O-CB 3.46Å; G22-Y26 PolarHBondContact O-N 3.32Å |
| 23 | S | 94.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 177.6 | 74.9 | 0 | 0 | 0 | 0 | 112.3 | L19 S20 L21 S27 F481 | L19-S23 VanDerWaalsContact O-CB 3.26Å; L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 2.49Å; L19-S23 PolarHBondContact O-OG 3.14Å; S20-S23 PolarHBondContact O-OG 2.95Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 3.11Å; S23-S27 WeakPolarHBondContact O-CB 3.15Å; S23-S27 PolarHBondContact O-N 2.84Å; S23-S27 PolarHBondContact O-OG 3.37Å; S23-S27 VanDerWaalsContact O-OG 3.1Å; S23-F481 VanDerWaalsContact CB-CD1 3.45Å |
| 24 | H | 93.1 | Very high | 95.8 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -54.7 | 175.9 | -76.4 | 72.5 | 0 | 0 | 0 | 110.8 | S20 L21 G22 Y26 S27 F28 S332 F485 | S20-H24 PolarHBondContact O-N 2.92Å; S20-H24 PolarHBondContact O-ND1 3.38Å; L21-H24 PolarHBondContact O-N 3.36Å; G22-H24 PolarHBondContact O-N 3.06Å; H24-Y26 VanDerWaalsContact C-N 3.32Å; H24-Y26 PolarHBondContact O-N 2.91Å; H24-S27 PolarHBondContact O-N 3.07Å; H24-S27 PolarHBondContact O-OG 2.88Å; H24-F28 HydrophobicContact CB-CE2 4.35Å; H24-F28 WeakPolarHBondContact O-CD2 3.48Å; H24-F28 WeakPolarHBondContact O-CG 3.23Å; H24-F28 PolarHBondContact O-N 3.14Å; H24-S332 PolarHBondContact NE2-OG 3.33Å; H24-F485 AromaticContact CE1-CD1 3.96Å |
| 25 | F | 95.5 | Very high | 95.9 | Very high | 143 Ų | 143 | 55.9 Ų | 55.9 | 63% | 0.627 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.5 | -42.9 | -179.6 | -74.3 | -62.2 | 0 | 0 | 0 | 112.2 | L21 G22 F28 Y29 | L21-F25 HydrophobicContact CB-CD2 4.44Å; L21-F25 HydrophobicContact CB-CE2 4.33Å; L21-F25 WeakPolarHBondContact O-CD2 3.32Å; L21-F25 PolarHBondContact O-N 3.43Å; G22-F25 PolarHBondContact O-N 3.41Å; F25-F28 PolarHBondContact O-N 3.31Å; F25-Y29 VanDerWaalsContact O-CB 3.32Å; F25-Y29 WeakPolarHBondContact O-CB 3.47Å; F25-Y29 PolarHBondContact O-N 2.96Å |
| 26 | Y | 97.3 | Very high | 95.8 | Very high | 107 Ų | 107 | 55.8 Ų | 55.8 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 177.1 | -174.6 | -109 | 0 | 0 | 0 | 111.9 | G22 H24 F28 Y29 Q30 W289 | G22-Y26 VanDerWaalsContact O-CB 3.25Å; G22-Y26 WeakPolarHBondContact O-CB 3.46Å; G22-Y26 PolarHBondContact O-N 3.32Å; H24-Y26 VanDerWaalsContact C-N 3.32Å; H24-Y26 PolarHBondContact O-N 2.91Å; Y26-F28 PolarHBondContact O-N 3.28Å; Y26-Y29 PolarHBondContact O-N 3.27Å; Y26-Q30 HydrophobicContact CD1-CG 4.34Å; Y26-Q30 HydrophobicContact CE1-CG 3.99Å; Y26-Q30 HydrophobicContact CE2-CG 4.36Å; Y26-Q30 VanDerWaalsContact CZ-NE2 3.31Å; Y26-Q30 WeakPolarHBondContact O-CG 3.26Å; Y26-Q30 PolarHBondContact O-N 3.42Å; Y26-Q30 PolarHBondContact OH-NE2 3.06Å; Y26-Q30 VanDerWaalsContact OH-NE2 3.09Å; Y26-W289 AromaticContact CD1-CD2 3.67Å; Y26-W289 HydrophobicContact CD1-CD2 3.67Å; Y26-W289 AromaticContact CD1-CE2 3.97Å; Y26-W289 AromaticContact CD1-CE3 3.68Å; Y26-W289 HydrophobicContact CD1-CE3 3.68Å; Y26-W289 HydrophobicContact CD1-CG 4.14Å; Y26-W289 HydrophobicContact CD1-CH2 4.23Å; Y26-W289 HydrophobicContact CD1-CZ2 4.25Å; Y26-W289 AromaticContact CD1-CZ3 3.97Å; Y26-W289 HydrophobicContact CD1-CZ3 3.97Å; Y26-W289 HydrophobicContact CE1-CB 4.33Å; Y26-W289 AromaticContact CE1-CD1 3.85Å; Y26-W289 AromaticContact CE1-CD2 3.61Å; Y26-W289 HydrophobicContact CE1-CD2 3.61Å; Y26-W289 AromaticContact CE1-CE2 3.72Å; Y26-W289 HydrophobicContact CE1-CE3 4.14Å; Y26-W289 AromaticContact CE1-CG 3.7Å; Y26-W289 HydrophobicContact CE1-CG 3.7Å; Y26-W289 HydrophobicContact CE1-CZ2 4.29Å; Y26-W289 AromaticContact CE1-NE1 3.87Å |
| 27 | S | 97.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 177.2 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | S23 H24 Q30 L31 W289 | S23-S27 WeakPolarHBondContact O-CB 3.15Å; S23-S27 PolarHBondContact O-N 2.84Å; S23-S27 PolarHBondContact O-OG 3.37Å; S23-S27 VanDerWaalsContact O-OG 3.1Å; H24-S27 PolarHBondContact O-N 3.07Å; H24-S27 PolarHBondContact O-OG 2.88Å; S27-Q30 PolarHBondContact O-N 2.92Å; S27-L31 PolarHBondContact O-N 3.45Å; S27-W289 WeakPolarHBondContact CB-O 3.38Å |
| 28 | F | 97.4 | Very high | 96 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 20% | 0.197 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 174.2 | -66.7 | -25.5 | 0 | 0 | 0 | 112.4 | H24 F25 Y26 L31 H32 M271 L296 A297 Q300 | H24-F28 HydrophobicContact CB-CE2 4.35Å; H24-F28 WeakPolarHBondContact O-CD2 3.48Å; H24-F28 WeakPolarHBondContact O-CG 3.23Å; H24-F28 PolarHBondContact O-N 3.14Å; F25-F28 PolarHBondContact O-N 3.31Å; Y26-F28 PolarHBondContact O-N 3.28Å; F28-L31 PolarHBondContact O-N 2.93Å; F28-H32 VanDerWaalsContact O-CB 3.31Å; F28-H32 WeakPolarHBondContact O-CB 3.35Å; F28-H32 PolarHBondContact O-N 2.95Å; F28-M271 HydrophobicContact CB-SD 4.24Å; F28-M271 HydrophobicContact CD1-SD 3.97Å; F28-M271 HydrophobicContact CG-SD 4.18Å; F28-L296 HydrophobicContact CE1-CB 3.68Å; F28-L296 HydrophobicContact CZ-CB 4.07Å; F28-A297 HydrophobicContact CD1-CB 4.29Å; F28-A297 HydrophobicContact CE1-CB 3.93Å; F28-Q300 HydrophobicContact CZ-CG 4.16Å |
| 29 | Y | 97.8 | Very high | 95.9 | Very high | 132 Ų | 132 | 55.5 Ų | 55.5 | 52% | 0.518 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 173.2 | 173.1 | -104.4 | 0 | 0 | 0 | 111.7 | F25 Y26 H32 K33 | F25-Y29 VanDerWaalsContact O-CB 3.32Å; F25-Y29 WeakPolarHBondContact O-CB 3.47Å; F25-Y29 PolarHBondContact O-N 2.96Å; Y26-Y29 PolarHBondContact O-N 3.27Å; Y29-H32 PolarHBondContact O-N 3.23Å; Y29-K33 WeakPolarHBondContact O-CB 3.25Å; Y29-K33 PolarHBondContact O-N 2.97Å |
| 30 | Q | 98.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 176.1 | -68.7 | -64.5 | -25.5 | 0 | 0 | 112.1 | Y26 S27 F34 W289 A290 | Y26-Q30 HydrophobicContact CD1-CG 4.34Å; Y26-Q30 HydrophobicContact CE1-CG 3.99Å; Y26-Q30 HydrophobicContact CE2-CG 4.36Å; Y26-Q30 VanDerWaalsContact CZ-NE2 3.31Å; Y26-Q30 WeakPolarHBondContact O-CG 3.26Å; Y26-Q30 PolarHBondContact O-N 3.42Å; Y26-Q30 PolarHBondContact OH-NE2 3.06Å; Y26-Q30 VanDerWaalsContact OH-NE2 3.09Å; S27-Q30 PolarHBondContact O-N 2.92Å; Q30-F34 PolarHBondContact O-N 3.36Å; Q30-F34 VanDerWaalsContact O-N 3.08Å; Q30-W289 HydrophobicContact CB-CB 4.06Å; Q30-W289 HydrophobicContact CG-CB 3.85Å; Q30-A290 HydrophobicContact CB-CB 4.16Å |
| 31 | L | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -51.5 | 172 | 179.3 | 63.1 | 0 | 0 | 0 | 111 | S27 F28 K33 F34 S35 M271 I276 L286 L294 A297 | S27-L31 PolarHBondContact O-N 3.45Å; F28-L31 PolarHBondContact O-N 2.93Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 3.17Å; L31-F34 WeakPolarHBondContact O-CB 2.79Å; L31-F34 PolarHBondContact O-N 2.98Å; L31-F34 VanDerWaalsContact O-N 3.07Å; L31-S35 PolarHBondContact O-N 3.44Å; L31-S35 PolarHBondContact O-OG 3.37Å; L31-M271 HydrophobicContact CD2-CB 3.84Å; L31-M271 HydrophobicContact CD2-CG 3.97Å; L31-M271 HydrophobicContact CD2-SD 3.92Å; L31-M271 HydrophobicContact CG-CB 4.27Å; L31-M271 HydrophobicContact CG-CG 4.36Å; L31-I276 HydrophobicContact CD1-CD1 4.03Å; L31-L286 HydrophobicContact CD1-CD2 4.16Å; L31-L294 HydrophobicContact CD1-CB 4.12Å; L31-L294 HydrophobicContact CD1-CD1 4.33Å; L31-L294 HydrophobicContact CD2-CB 4.42Å; L31-A297 HydrophobicContact CD2-CB 3.83Å |
| 32 | H | 97 | Very high | 96 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54 | -45.7 | 177.8 | 172 | 67.2 | 0 | 0 | 0 | 112.2 | F28 Y29 F34 S35 K36 V270 | F28-H32 VanDerWaalsContact O-CB 3.31Å; F28-H32 WeakPolarHBondContact O-CB 3.35Å; F28-H32 PolarHBondContact O-N 2.95Å; Y29-H32 PolarHBondContact O-N 3.23Å; H32-F34 PolarHBondContact O-N 3.28Å; H32-S35 WeakPolarHBondContact O-CB 3.12Å; H32-S35 PolarHBondContact O-N 3Å; H32-K36 WeakPolarHBondContact O-CG 3.3Å; H32-K36 PolarHBondContact O-N 3.4Å; H32-V270 PolarHBondContact ND1-O 3.45Å |
| 33 | K | 97.8 | Very high | 95.9 | Very high | 92 Ų | 92 | 53.7 Ų | 53.7 | 40% | 0.4 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 176 | -178.6 | 178 | 171.5 | -180 | 0 | 111 | Y29 L31 S35 K36 E37 | Y29-K33 WeakPolarHBondContact O-CB 3.25Å; Y29-K33 PolarHBondContact O-N 2.97Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 3.17Å; K33-S35 VanDerWaalsContact C-N 3.33Å; K33-S35 PolarHBondContact O-N 3.16Å; K33-K36 PolarHBondContact O-N 2.71Å; K33-E37 WeakPolarHBondContact CE-OE1 3.1Å; K33-E37 IonicContact NZ-OE1 2.7Å; K33-E37 WeakPolarHBondContact O-CG 3.22Å; K33-E37 PolarHBondContact O-N 2.99Å |
| 34 | F | 97.9 | Very high | 95.8 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -44 | 176.2 | -179 | -87.6 | 0 | 0 | 0 | 111.9 | Q30 L31 H32 K36 E37 H38 I276 Y282 M285 L286 A290 | Q30-F34 PolarHBondContact O-N 3.36Å; Q30-F34 VanDerWaalsContact O-N 3.08Å; L31-F34 WeakPolarHBondContact O-CB 2.79Å; L31-F34 PolarHBondContact O-N 2.98Å; L31-F34 VanDerWaalsContact O-N 3.07Å; H32-F34 PolarHBondContact O-N 3.28Å; F34-K36 VanDerWaalsContact C-N 3.3Å; F34-K36 PolarHBondContact O-N 2.86Å; F34-E37 PolarHBondContact O-N 2.91Å; F34-H38 AromaticContact CD2-CE1 3.64Å; F34-H38 AromaticContact CD2-ND1 3.77Å; F34-H38 AromaticContact CE1-ND1 3.97Å; F34-H38 AromaticContact CE2-CE1 3.39Å; F34-H38 WeakPolarHBondContact CE2-CE1 3.42Å; F34-H38 AromaticContact CE2-ND1 3.73Å; F34-H38 AromaticContact CG-ND1 3.92Å; F34-H38 AromaticContact CZ-CE1 3.81Å; F34-H38 AromaticContact CZ-ND1 3.84Å; F34-H38 PolarHBondContact O-N 3.33Å; F34-H38 VanDerWaalsContact O-N 3.09Å; F34-H38 PolarHBondContact O-ND1 3.4Å; F34-I276 HydrophobicContact CD1-CD1 4Å; F34-I276 HydrophobicContact CE1-CD1 4.27Å; F34-I276 HydrophobicContact CE1-CG1 4.49Å; F34-I276 HydrophobicContact CE1-CG2 4.5Å; F34-Y282 HydrophobicContact CE1-CD1 4.08Å; F34-Y282 HydrophobicContact CZ-CD1 4.07Å; F34-M285 HydrophobicContact CE2-CB 4.39Å; F34-M285 HydrophobicContact CZ-CB 4.4Å; F34-L286 HydrophobicContact CB-CD2 4.16Å; F34-L286 HydrophobicContact CD1-CD2 3.44Å; F34-L286 VanDerWaalsContact CD1-CD2 3.44Å; F34-L286 HydrophobicContact CD1-CG 4.34Å; F34-L286 HydrophobicContact CD2-CD2 3.87Å; F34-L286 HydrophobicContact CE1-CD2 3.66Å; F34-L286 HydrophobicContact CE1-CG 4.07Å; F34-L286 HydrophobicContact CE2-CD2 4.06Å; F34-L286 HydrophobicContact CE2-CG 4.36Å; F34-L286 HydrophobicContact CG-CD2 3.55Å; F34-L286 HydrophobicContact CZ-CD2 3.96Å; F34-L286 HydrophobicContact CZ-CG 4.06Å; F34-A290 HydrophobicContact CB-CB 4.47Å |
| 35 | S | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 179 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | L31 H32 K33 E39 M271 I276 | L31-S35 PolarHBondContact O-N 3.44Å; L31-S35 PolarHBondContact O-OG 3.37Å; H32-S35 WeakPolarHBondContact O-CB 3.12Å; H32-S35 PolarHBondContact O-N 3Å; K33-S35 VanDerWaalsContact C-N 3.33Å; K33-S35 PolarHBondContact O-N 3.16Å; S35-E39 WeakPolarHBondContact O-CA 3.26Å; S35-E39 PolarHBondContact O-N 2.87Å; S35-M271 WeakPolarHBondContact CB-O 3.36Å; S35-M271 PolarHBondContact OG-O 3Å; S35-I276 VanDerWaalsContact OG-CD1 3.26Å; S35-I276 WeakPolarHBondContact OG-CD1 3.37Å |
| 36 | K | 94.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75.8 | -38.2 | 177.2 | -66.1 | -60.8 | 172.3 | -175.4 | 0 | 113.2 | H32 K33 F34 H38 E39 Y272 | H32-K36 WeakPolarHBondContact O-CG 3.3Å; H32-K36 PolarHBondContact O-N 3.4Å; K33-K36 PolarHBondContact O-N 2.71Å; F34-K36 VanDerWaalsContact C-N 3.3Å; F34-K36 PolarHBondContact O-N 2.86Å; K36-H38 PolarHBondContact O-N 3.3Å; K36-E39 VanDerWaalsContact CD-OE2 3.26Å; K36-E39 WeakPolarHBondContact CD-OE2 3.49Å; K36-E39 IonicContact NZ-OE2 3.2Å; K36-E39 PolarHBondContact NZ-OE2 3.46Å; K36-E39 PolarHBondContact O-N 2.87Å; K36-Y272 PolarHBondContact NZ-OH 3.41Å |
| 37 | E | 96.3 | Very high | 95.3 | Very high | 124 Ų | 124 | 64.3 Ų | 64.3 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.9 | -32.7 | 173.3 | -73.5 | 172.2 | 178 | 0 | 0 | 112.1 | K33 F34 | K33-E37 WeakPolarHBondContact CE-OE1 3.1Å; K33-E37 IonicContact NZ-OE1 2.7Å; K33-E37 WeakPolarHBondContact O-CG 3.22Å; K33-E37 PolarHBondContact O-N 2.99Å; F34-E37 PolarHBondContact O-N 2.91Å |
| 38 | H | 95.8 | Very high | 95 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 10.6 | -177.7 | -60.4 | 80.9 | 0 | 0 | 0 | 114 | F34 K36 A40 G41 L42 Y282 | F34-H38 AromaticContact CD2-CE1 3.64Å; F34-H38 AromaticContact CD2-ND1 3.77Å; F34-H38 AromaticContact CE1-ND1 3.97Å; F34-H38 AromaticContact CE2-CE1 3.39Å; F34-H38 WeakPolarHBondContact CE2-CE1 3.42Å; F34-H38 AromaticContact CE2-ND1 3.73Å; F34-H38 AromaticContact CG-ND1 3.92Å; F34-H38 AromaticContact CZ-CE1 3.81Å; F34-H38 AromaticContact CZ-ND1 3.84Å; F34-H38 PolarHBondContact O-N 3.33Å; F34-H38 VanDerWaalsContact O-N 3.09Å; F34-H38 PolarHBondContact O-ND1 3.4Å; K36-H38 PolarHBondContact O-N 3.3Å; H38-A40 VanDerWaalsContact C-N 3.29Å; H38-A40 PolarHBondContact O-N 2.98Å; H38-G41 PolarHBondContact O-N 2.97Å; H38-L42 HydrophobicContact CB-CD1 4.49Å; H38-L42 WeakPolarHBondContact O-CG 3.31Å; H38-L42 PolarHBondContact O-N 3.4Å; H38-Y282 HydrophobicContact CB-CD1 4.44Å; H38-Y282 HydrophobicContact CB-CE1 3.88Å; H38-Y282 AromaticContact CD2-CE1 3.87Å |
| 39 | E | 94.5 | Very high | 94.7 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 23% | 0.234 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.9 | -39.2 | -173.4 | -177.1 | 170.4 | 124.3 | 0 | 0 | 112.5 | S35 K36 G41 L42 Q43 L48 Y272 | S35-E39 WeakPolarHBondContact O-CA 3.26Å; S35-E39 PolarHBondContact O-N 2.87Å; K36-E39 VanDerWaalsContact CD-OE2 3.26Å; K36-E39 WeakPolarHBondContact CD-OE2 3.49Å; K36-E39 IonicContact NZ-OE2 3.2Å; K36-E39 PolarHBondContact NZ-OE2 3.46Å; K36-E39 PolarHBondContact O-N 2.87Å; E39-G41 VanDerWaalsContact C-N 3.33Å; E39-G41 PolarHBondContact O-N 2.76Å; E39-L42 PolarHBondContact O-N 3.04Å; E39-Q43 VanDerWaalsContact O-CB 3.24Å; E39-Q43 WeakPolarHBondContact O-CB 3.47Å; E39-Q43 PolarHBondContact O-N 2.99Å; E39-L48 HydrophobicContact CG-CD1 4.28Å; E39-Y272 HydrophobicContact CB-CE2 4.19Å; E39-Y272 HydrophobicContact CG-CE2 3.83Å; E39-Y272 WeakPolarHBondContact OE2-CE2 3.44Å; E39-Y272 PolarHBondContact OE2-OH 2.83Å |
| 40 | A | 93.4 | Very high | 94.1 | Very high | 79 Ų | 79 | 66.2 Ų | 66.2 | 65% | 0.653 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.3 | -35.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H38 R44 | H38-A40 VanDerWaalsContact C-N 3.29Å; H38-A40 PolarHBondContact O-N 2.98Å; A40-R44 PolarHBondContact O-N 3.16Å |
| 41 | G | 93.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.6 | -47.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | H38 E39 Q43 R44 E45 | H38-G41 PolarHBondContact O-N 2.97Å; E39-G41 VanDerWaalsContact C-N 3.33Å; E39-G41 PolarHBondContact O-N 2.76Å; G41-Q43 VanDerWaalsContact C-N 3.35Å; G41-Q43 PolarHBondContact O-N 2.92Å; G41-R44 PolarHBondContact O-N 3.13Å; G41-R44 VanDerWaalsContact O-N 3.17Å; G41-E45 PolarHBondContact O-N 2.97Å; G41-E45 VanDerWaalsContact O-N 3.09Å |
| 42 | L | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 177 | -65.3 | 170.3 | 0 | 0 | 0 | 111.9 | H38 E39 R44 E45 F46 L48 Y272 I276 Y282 | H38-L42 HydrophobicContact CB-CD1 4.49Å; H38-L42 WeakPolarHBondContact O-CG 3.31Å; H38-L42 PolarHBondContact O-N 3.4Å; E39-L42 PolarHBondContact O-N 3.04Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.08Å; L42-E45 PolarHBondContact O-N 3.31Å; L42-F46 HydrophobicContact CD2-CD2 4.07Å; L42-F46 HydrophobicContact CD2-CE2 4.22Å; L42-F46 WeakPolarHBondContact O-CB 3.3Å; L42-F46 PolarHBondContact O-N 3.26Å; L42-L48 HydrophobicContact CB-CD1 4.1Å; L42-Y272 HydrophobicContact CD1-CD2 3.73Å; L42-Y272 HydrophobicContact CD1-CG 4.33Å; L42-I276 HydrophobicContact CD1-CD1 4.4Å; L42-I276 HydrophobicContact CD1-CG1 4.05Å; L42-I276 HydrophobicContact CD2-CG1 4.14Å; L42-Y282 HydrophobicContact CD2-CD2 4.03Å; L42-Y282 HydrophobicContact CD2-CE1 4.34Å; L42-Y282 HydrophobicContact CD2-CE2 3.67Å |
| 43 | Q | 93.6 | Very high | 91 | Very high | 59 Ų | 59 | 74.7 Ų | 74.7 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.1 | 178.7 | 67.3 | 68.1 | 0 | 0 | 112.3 | E39 G41 Q47 L48 | E39-Q43 VanDerWaalsContact O-CB 3.24Å; E39-Q43 WeakPolarHBondContact O-CB 3.47Å; E39-Q43 PolarHBondContact O-N 2.99Å; G41-Q43 VanDerWaalsContact C-N 3.35Å; G41-Q43 PolarHBondContact O-N 2.92Å; Q43-Q47 WeakPolarHBondContact O-CA 3.18Å; Q43-Q47 PolarHBondContact O-N 2.54Å; Q43-L48 HydrophobicContact CB-CD1 4.39Å; Q43-L48 PolarHBondContact NE2-O 3.37Å; Q43-L48 PolarHBondContact OE1-O 3.48Å |
| 44 | R | 92.3 | Very high | 89.9 | Confident | 216 Ų | 216 | 80.6 Ų | 80.6 | 82% | 0.815 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.4 | -39.8 | -179.5 | -174.8 | -177.4 | -65 | 166.7 | 0.3 | 111.8 | A40 G41 L42 | A40-R44 PolarHBondContact O-N 3.16Å; G41-R44 PolarHBondContact O-N 3.13Å; G41-R44 VanDerWaalsContact O-N 3.17Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.08Å |
| 45 | E | 92.6 | Very high | 88.8 | Confident | 97 Ų | 97 | 83.9 Ų | 83.9 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -87.8 | -45.3 | -173.4 | -170.6 | 176.9 | 172.7 | 0 | 0 | 112.8 | G41 L42 N279 | G41-E45 PolarHBondContact O-N 2.97Å; G41-E45 VanDerWaalsContact O-N 3.09Å; L42-E45 PolarHBondContact O-N 3.31Å; E45-N279 VanDerWaalsContact CD-ND2 3.31Å; E45-N279 PolarHBondContact OE1-ND2 2.81Å; E45-N279 PolarHBondContact OE2-ND2 2.91Å; E45-N279 VanDerWaalsContact OE2-ND2 3.08Å |
| 46 | F | 91.2 | Very high | 88.2 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 19% | 0.193 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -105.5 | 1.3 | -172.1 | -63 | -79 | 0 | 0 | 0 | 114 | L42 L48 S275 S278 N279 Y282 | L42-F46 HydrophobicContact CD2-CD2 4.07Å; L42-F46 HydrophobicContact CD2-CE2 4.22Å; L42-F46 WeakPolarHBondContact O-CB 3.3Å; L42-F46 PolarHBondContact O-N 3.26Å; F46-L48 PolarHBondContact O-N 2.98Å; F46-S275 WeakPolarHBondContact CE2-O 3.3Å; F46-S275 WeakPolarHBondContact CZ-O 3.49Å; F46-S278 WeakPolarHBondContact CE1-OG 3.4Å; F46-S278 VanDerWaalsContact CZ-OG 3.27Å; F46-S278 WeakPolarHBondContact CZ-OG 3.22Å; F46-N279 HydrophobicContact CE2-CB 4.29Å; F46-N279 HydrophobicContact CZ-CB 3.88Å; F46-Y282 HydrophobicContact CE2-CE2 4.39Å |
| 47 | Q | 91.7 | Very high | 88 | Confident | 152 Ų | 152 | 87.9 Ų | 87.9 | 71% | 0.71 | 45% | 0.446 | S | S | * | . | trans | 50.9 | 55.2 | 177.8 | -58.1 | -176.3 | 5.3 | 0 | 0 | 112.8 | Q43 E49 | Q43-Q47 WeakPolarHBondContact O-CA 3.18Å; Q43-Q47 PolarHBondContact O-N 2.54Å; Q47-E49 PolarHBondContact O-N 2.79Å | ||
| 48 | L | 91.6 | Very high | 87.8 | Confident | 4 Ų | 4 | 82.8 Ų | 82.8 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -49.4 | 131.2 | 179.3 | -55 | 174.2 | 0 | 0 | 0 | 111.1 | E39 L42 Q43 F46 K57 R58 D59 Y272 | E39-L48 HydrophobicContact CG-CD1 4.28Å; L42-L48 HydrophobicContact CB-CD1 4.1Å; Q43-L48 HydrophobicContact CB-CD1 4.39Å; Q43-L48 PolarHBondContact NE2-O 3.37Å; Q43-L48 PolarHBondContact OE1-O 3.48Å; F46-L48 PolarHBondContact O-N 2.98Å; L48-K57 HydrophobicContact CB-CB 3.98Å; L48-K57 HydrophobicContact CB-CD 4.48Å; L48-K57 HydrophobicContact CB-CG 4.46Å; L48-K57 HydrophobicContact CD1-CB 4.18Å; L48-R58 WeakPolarHBondContact CA-O 3.44Å; L48-D59 HydrophobicContact CD2-CB 4.27Å; L48-Y272 HydrophobicContact CD1-CD2 4.19Å; L48-Y272 HydrophobicContact CD1-CE1 4.32Å; L48-Y272 HydrophobicContact CD1-CE2 3.97Å; L48-Y272 HydrophobicContact CD1-CG 4.46Å |
| 49 | E | 90.1 | Very high | 87.8 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 41% | 0.407 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 162.9 | -175.9 | -68.6 | 174.3 | 175.7 | 0 | 0 | 110.6 | Q47 G51 K57 R58 P60 | Q47-E49 PolarHBondContact O-N 2.79Å; E49-G51 PolarHBondContact O-N 3.49Å; E49-K57 CarbonylContact O-C 3.48Å; E49-K57 VanDerWaalsContact O-CA 3.28Å; E49-K57 WeakPolarHBondContact O-CA 3.17Å; E49-K57 WeakPolarHBondContact O-CD 3.38Å; E49-R58 HydrophobicContact CB-CB 4.16Å; E49-R58 PolarHBondContact N-O 2.89Å; E49-R58 PolarHBondContact O-N 3.26Å; E49-R58 IonicContact OE2-CZ 2.68Å; E49-R58 IonicContact OE2-NH1 3.87Å; E49-R58 PolarHBondContact OE2-NH1 2.68Å; E49-P60 HydrophobicContact CG-CB 4.13Å; E49-P60 HydrophobicContact CG-CG 4.2Å |
| 50 | N | 86.1 | Confident | 87.7 | Confident | 129 Ų | 129 | 79.1 Ų | 79.1 | 69% | 0.69 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 128.7 | 169.2 | -66.3 | -31.3 | 0 | 0 | 0 | 109.2 | K57 | N50-K57 PolarHBondContact OD1-NZ 3.34Å |
| 51 | G | 79.6 | Confident | 87.7 | Confident | 17 Ų | 17 | 77.5 Ų | 77.5 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | trans | -76.4 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E49 F53 F56 H269 | E49-G51 PolarHBondContact O-N 3.49Å; G51-F53 PolarHBondContact O-N 2.99Å; G51-F56 WeakPolarHBondContact CA-O 3.35Å; G51-F56 PolarHBondContact N-O 3.26Å; G51-H269 WeakPolarHBondContact CA-CE1 3.49Å | ||
| 52 | L | 73.5 | Confident | 87.7 | Confident | 111 Ų | 111 | 77.2 Ų | 77.2 | 58% | 0.581 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -60.3 | -27.8 | 178.5 | -67.5 | 171.4 | 0 | 0 | 0 | 112.5 | W261 E265 | L52-W261 HydrophobicContact CD1-CH2 3.75Å; L52-W261 HydrophobicContact CD1-CZ2 4.43Å; L52-W261 HydrophobicContact CD1-CZ3 4.42Å; L52-E265 HydrophobicContact CD1-CB 4.48Å; L52-E265 HydrophobicContact CD1-CG 4.29Å |
| 53 | F | 74.3 | Confident | 87.6 | Confident | 148 Ų | 148 | 82.2 Ų | 82.2 | 65% | 0.649 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -106.9 | 135.1 | 176.2 | -60.4 | -76.2 | 0 | 0 | 0 | 110.7 | G51 G55 F56 | G51-F53 PolarHBondContact O-N 2.99Å; F53-G55 PolarHBondContact O-N 3.43Å; F53-F56 HydrophobicContact CB-CD2 3.85Å; F53-F56 PolarHBondContact O-N 2.98Å; F53-F56 VanDerWaalsContact O-N 3.08Å |
| 54 | K | 74.8 | Confident | 87.6 | Confident | 216 Ų | 216 | 81 Ų | 81 | 94% | 0.939 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 127 | 179.4 | -169 | 177.4 | -178 | 179.9 | 0 | 110.3 | ||
| 55 | G | 76.1 | Confident | 87.8 | Confident | 77 Ų | 77 | 71 Ų | 71 | 79% | 0.794 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | F53 | F53-G55 PolarHBondContact O-N 3.43Š|
| 56 | F | 82.6 | Confident | 87.8 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | trans | -99.5 | 144 | 171.6 | -70 | -94.3 | 0 | 0 | 0 | 110.5 | G51 F53 | G51-F56 WeakPolarHBondContact CA-O 3.35Å; G51-F56 PolarHBondContact N-O 3.26Å; F53-F56 HydrophobicContact CB-CD2 3.85Å; F53-F56 PolarHBondContact O-N 2.98Å; F53-F56 VanDerWaalsContact O-N 3.08Å | ||
| 57 | K | 91.1 | Very high | 88 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 21% | 0.213 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 151.3 | 175.8 | -64.5 | -63.8 | -171 | 168.8 | 0 | 110.6 | L48 E49 N50 H269 Y272 | L48-K57 HydrophobicContact CB-CB 3.98Å; L48-K57 HydrophobicContact CB-CD 4.48Å; L48-K57 HydrophobicContact CB-CG 4.46Å; L48-K57 HydrophobicContact CD1-CB 4.18Å; E49-K57 CarbonylContact O-C 3.48Å; E49-K57 VanDerWaalsContact O-CA 3.28Å; E49-K57 WeakPolarHBondContact O-CA 3.17Å; E49-K57 WeakPolarHBondContact O-CD 3.38Å; N50-K57 PolarHBondContact OD1-NZ 3.34Å; K57-H269 WeakPolarHBondContact O-CA 3.41Å; K57-H269 PolarHBondContact O-ND1 3.3Å; K57-H269 VanDerWaalsContact O-ND1 3.17Å; K57-Y272 HydrophobicContact CB-CE1 4.42Å; K57-Y272 WeakPolarHBondContact CB-OH 3.35Å |
| 58 | R | 92.4 | Very high | 88.1 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.4 | -180 | -172 | -179 | 173 | -96.5 | -7.4 | 109.6 | L48 E49 P60 E265 I268 H269 | L48-R58 WeakPolarHBondContact CA-O 3.44Å; E49-R58 HydrophobicContact CB-CB 4.16Å; E49-R58 PolarHBondContact N-O 2.89Å; E49-R58 PolarHBondContact O-N 3.26Å; E49-R58 IonicContact OE2-CZ 2.68Å; E49-R58 IonicContact OE2-NH1 3.87Å; E49-R58 PolarHBondContact OE2-NH1 2.68Å; R58-P60 VanDerWaalsContact O-CD 3.28Å; R58-P60 WeakPolarHBondContact O-CD 3.36Å; R58-E265 IonicContact NE-OE1 2.69Å; R58-E265 IonicContact NE-OE2 3.07Å; R58-E265 IonicContact NH2-OE1 2.99Å; R58-I268 HydrophobicContact CG-CD1 3.7Å; R58-I268 HydrophobicContact CG-CG1 4.19Å; R58-H269 WeakPolarHBondContact CB-CE1 3.42Å |
| 59 | D | 93.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.011 | 31% | 0.31 | C | S | . | . | trans | -81.6 | 111.4 | 168.6 | 177.7 | 2.1 | 0 | 0 | 0 | 110.5 | L48 S61 I268 Y272 M273 H274 S275 | L48-D59 HydrophobicContact CD2-CB 4.27Å; D59-S61 WeakPolarHBondContact OD1-CB 3.41Å; D59-S61 PolarHBondContact OD1-N 3.48Å; D59-S61 PolarHBondContact OD1-OG 2.79Å; D59-S61 VanDerWaalsContact OD1-OG 3.05Å; D59-I268 HydrophobicContact CB-CB 4.32Å; D59-I268 WeakPolarHBondContact CB-O 3.36Å; D59-I268 PolarHBondContact N-O 3.24Å; D59-Y272 HydrophobicContact CB-CD1 3.97Å; D59-Y272 VanDerWaalsContact OD2-CA 3.28Å; D59-Y272 WeakPolarHBondContact OD2-CA 3Å; D59-M273 PolarHBondContact OD2-N 3.42Å; D59-H274 WeakPolarHBondContact OD2-CA 3.34Å; D59-H274 WeakPolarHBondContact OD2-CB 3.21Å; D59-H274 PolarHBondContact OD2-N 3.26Å; D59-H274 IonicContact OD2-ND1 3.56Å; D59-S275 VanDerWaalsContact CG-OG 3.24Å; D59-S275 PolarHBondContact OD1-N 3.28Å; D59-S275 PolarHBondContact OD1-OG 3.13Å; D59-S275 PolarHBondContact OD2-N 3.47Å | ||
| 60 | P | 92.6 | Very high | 88.3 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | trans | -89.7 | 0.4 | -179.7 | 38 | -35 | 0 | 0 | 0 | 113.1 | E49 R58 D62 S66 | E49-P60 HydrophobicContact CG-CB 4.13Å; E49-P60 HydrophobicContact CG-CG 4.2Å; R58-P60 VanDerWaalsContact O-CD 3.28Å; R58-P60 WeakPolarHBondContact O-CD 3.36Å; P60-D62 VanDerWaalsContact C-N 3.3Å; P60-D62 PolarHBondContact O-N 2.85Å; P60-S66 PolarHBondContact O-OG 3.44Å | ||
| 61 | S | 93.8 | Very high | 88.7 | Confident | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | trans | -73.1 | -11.6 | -164.2 | -54.8 | 0 | 0 | 0 | 0 | 115.1 | D59 F63 S275 | D59-S61 WeakPolarHBondContact OD1-CB 3.41Å; D59-S61 PolarHBondContact OD1-N 3.48Å; D59-S61 PolarHBondContact OD1-OG 2.79Å; D59-S61 VanDerWaalsContact OD1-OG 3.05Å; S61-F63 PolarHBondContact O-N 2.93Å; S61-F63 VanDerWaalsContact O-N 3.15Å; S61-S275 PolarHBondContact OG-OG 3.36Å; S61-S275 VanDerWaalsContact OG-OG 3.14Å | ||
| 62 | D | 94.6 | Very high | 89.3 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | trans | -75.8 | 101.6 | 168.3 | -170.6 | -102.9 | 0 | 0 | 0 | 109.9 | P60 E64 W65 S66 H274 F301 K305 | P60-D62 VanDerWaalsContact C-N 3.3Å; P60-D62 PolarHBondContact O-N 2.85Å; D62-E64 VanDerWaalsContact C-N 3.33Å; D62-E64 PolarHBondContact O-N 3.35Å; D62-W65 HydrophobicContact CB-CB 4.02Å; D62-W65 PolarHBondContact O-N 2.93Å; D62-W65 WeakPolarHBondContact OD1-CA 3.16Å; D62-W65 WeakPolarHBondContact OD1-CB 3.5Å; D62-W65 PolarHBondContact OD1-N 2.84Å; D62-S66 WeakPolarHBondContact O-CB 3.38Å; D62-S66 PolarHBondContact O-N 3.29Å; D62-S66 PolarHBondContact O-OG 3.33Å; D62-H274 HydrophobicContact CB-CB 4.5Å; D62-H274 IonicContact OD2-CD2 2.69Å; D62-H274 IonicContact OD2-NE2 3.23Å; D62-H274 PolarHBondContact OD2-NE2 2.9Å; D62-F301 HydrophobicContact CB-CE1 4.14Å; D62-K305 IonicContact OD1-NZ 3.89Å; D62-K305 PolarHBondContact OD1-NZ 3.01Å; D62-K305 IonicContact OD2-NZ 3.06Å; D62-K305 PolarHBondContact OD2-NZ 3.23Å; D62-K305 VanDerWaalsContact OD2-NZ 3.14Å | ||
| 63 | F | 92.4 | Very high | 90.1 | Very high | 104 Ų | 104 | 54.5 Ų | 54.5 | 46% | 0.456 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -52.4 | -48.5 | -179.5 | 168.3 | -99.8 | 0 | 0 | 0 | 112.4 | S61 S66 F67 Y172 F176 | S61-F63 PolarHBondContact O-N 2.93Å; S61-F63 VanDerWaalsContact O-N 3.15Å; F63-S66 PolarHBondContact O-N 2.96Å; F63-F67 HydrophobicContact CE2-CD2 4.49Å; F63-F67 HydrophobicContact CZ-CB 4.42Å; F63-F67 HydrophobicContact CZ-CD2 4.17Å; F63-F67 HydrophobicContact CZ-CG 4.38Å; F63-F67 WeakPolarHBondContact O-CB 3.39Å; F63-F67 PolarHBondContact O-N 2.96Å; F63-Y172 AromaticContact CE2-CD2 3.98Å; F63-Y172 HydrophobicContact CE2-CD2 3.98Å; F63-Y172 HydrophobicContact CE2-CE2 4.05Å; F63-Y172 AromaticContact CZ-CD2 3.66Å; F63-Y172 HydrophobicContact CZ-CD2 3.66Å; F63-Y172 HydrophobicContact CZ-CE2 4.01Å; F63-Y172 HydrophobicContact CZ-CG 4.05Å; F63-F176 HydrophobicContact CE1-CE2 4.43Å; F63-F176 HydrophobicContact CE1-CZ 4.38Å |
| 64 | E | 93.5 | Very high | 90.9 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | -174.8 | -176.7 | -179 | -145.2 | 0 | 0 | 111.8 | D62 W68 K305 Y306 | D62-E64 VanDerWaalsContact C-N 3.33Å; D62-E64 PolarHBondContact O-N 3.35Å; E64-W68 VanDerWaalsContact CG-CD1 3.47Å; E64-W68 PolarHBondContact O-N 3.23Å; E64-K305 HydrophobicContact CB-CD 4.45Å; E64-K305 HydrophobicContact CG-CD 4.23Å; E64-K305 WeakPolarHBondContact OE2-CE 3.41Å; E64-K305 IonicContact OE2-NZ 3.27Å; E64-K305 PolarHBondContact OE2-NZ 2.72Å; E64-Y306 PolarHBondContact OE1-OH 3.48Å |
| 65 | W | 94.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -48.3 | 177.1 | -175.1 | -111.4 | 0 | 0 | 0 | 111.7 | D62 T69 W261 A264 E265 F301 K305 V308 | D62-W65 HydrophobicContact CB-CB 4.02Å; D62-W65 PolarHBondContact O-N 2.93Å; D62-W65 WeakPolarHBondContact OD1-CA 3.16Å; D62-W65 WeakPolarHBondContact OD1-CB 3.5Å; D62-W65 PolarHBondContact OD1-N 2.84Å; W65-T69 WeakPolarHBondContact O-CB 3.48Å; W65-T69 PolarHBondContact O-N 2.85Å; W65-T69 PolarHBondContact O-OG1 3.15Å; W65-W261 AromaticContact CH2-CD1 3.57Å; W65-W261 HydrophobicContact CH2-CG 4.42Å; W65-W261 AromaticContact CZ2-CD1 3.56Å; W65-W261 HydrophobicContact CZ2-CG 4.46Å; W65-W261 AromaticContact CZ2-NE1 3.83Å; W65-A264 HydrophobicContact CH2-CB 3.57Å; W65-A264 HydrophobicContact CZ2-CB 3.56Å; W65-A264 HydrophobicContact CZ3-CB 4.24Å; W65-E265 PolarHBondContact NE1-OE1 3.48Å; W65-F301 HydrophobicContact CB-CE1 4.17Å; W65-F301 HydrophobicContact CB-CZ 3.98Å; W65-F301 HydrophobicContact CD2-CZ 4.02Å; W65-F301 HydrophobicContact CG-CE1 4.43Å; W65-F301 AromaticContact CG-CZ 3.77Å; W65-F301 HydrophobicContact CG-CZ 3.77Å; W65-K305 HydrophobicContact CB-CD 4.27Å; W65-K305 HydrophobicContact CE3-CB 4.15Å; W65-K305 HydrophobicContact CE3-CD 4.13Å; W65-K305 HydrophobicContact CE3-CG 3.83Å; W65-K305 HydrophobicContact CZ3-CB 4.33Å; W65-K305 HydrophobicContact CZ3-CG 4.25Å; W65-V308 HydrophobicContact CH2-CB 4.26Å; W65-V308 HydrophobicContact CH2-CG1 4.17Å; W65-V308 HydrophobicContact CH2-CG2 4.13Å; W65-V308 HydrophobicContact CZ3-CB 4.15Å; W65-V308 HydrophobicContact CZ3-CG1 4.27Å; W65-V308 HydrophobicContact CZ3-CG2 4.37Å |
| 66 | S | 93 | Very high | 92.4 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 178.2 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | P60 D62 F63 W68 T69 E70 | P60-S66 PolarHBondContact O-OG 3.44Å; D62-S66 WeakPolarHBondContact O-CB 3.38Å; D62-S66 PolarHBondContact O-N 3.29Å; D62-S66 PolarHBondContact O-OG 3.33Å; F63-S66 PolarHBondContact O-N 2.96Å; S66-W68 PolarHBondContact O-N 3.27Å; S66-T69 PolarHBondContact O-N 2.66Å; S66-E70 WeakPolarHBondContact O-CG 3.21Å; S66-E70 PolarHBondContact O-N 3.29Å |
| 67 | F | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.6 | -54.4 | 177.5 | 176.4 | -95.5 | 0 | 0 | 0 | 112.6 | F63 T69 E70 W71 E169 L173 F176 | F63-F67 HydrophobicContact CE2-CD2 4.49Å; F63-F67 HydrophobicContact CZ-CB 4.42Å; F63-F67 HydrophobicContact CZ-CD2 4.17Å; F63-F67 HydrophobicContact CZ-CG 4.38Å; F63-F67 WeakPolarHBondContact O-CB 3.39Å; F63-F67 PolarHBondContact O-N 2.96Å; F67-T69 VanDerWaalsContact C-N 3.34Å; F67-T69 PolarHBondContact O-N 3.46Å; F67-E70 PolarHBondContact O-N 2.91Å; F67-W71 AromaticContact CD2-CD1 3.86Å; F67-W71 AromaticContact CD2-NE1 3.98Å; F67-W71 AromaticContact CE1-CD1 3.75Å; F67-W71 AromaticContact CE2-CD1 3.51Å; F67-W71 AromaticContact CE2-NE1 3.28Å; F67-W71 VanDerWaalsContact CE2-NE1 3.28Å; F67-W71 AromaticContact CZ-CD1 3.44Å; F67-W71 VanDerWaalsContact CZ-CD1 3.44Å; F67-W71 AromaticContact CZ-NE1 3.38Å; F67-W71 PolarHBondContact O-N 2.83Å; F67-E169 HydrophobicContact CD2-CB 4.37Å; F67-E169 HydrophobicContact CD2-CG 4.4Å; F67-E169 HydrophobicContact CE2-CB 4.09Å; F67-E169 VanDerWaalsContact CE2-O 3.31Å; F67-E169 WeakPolarHBondContact CE2-O 3.28Å; F67-L173 HydrophobicContact CE1-CD1 4.43Å; F67-L173 HydrophobicContact CZ-CB 4.13Å; F67-L173 HydrophobicContact CZ-CD1 4.18Å; F67-F176 HydrophobicContact CD1-CE2 4.11Å; F67-F176 AromaticContact CE1-CD2 3.78Å; F67-F176 HydrophobicContact CE1-CD2 3.78Å; F67-F176 AromaticContact CE1-CE2 3.75Å; F67-F176 HydrophobicContact CE1-CE2 3.75Å; F67-F176 AromaticContact CZ-CD2 3.99Å; F67-F176 HydrophobicContact CZ-CD2 3.99Å; F67-F176 HydrophobicContact CZ-CE2 4.09Å |
| 68 | W | 95.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 4% | 0.038 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.1 | -30.5 | -178.2 | -67.9 | 119.5 | 0 | 0 | 0 | 112.7 | E64 S66 A72 L76 L173 F176 N220 L309 | E64-W68 VanDerWaalsContact CG-CD1 3.47Å; E64-W68 PolarHBondContact O-N 3.23Å; S66-W68 PolarHBondContact O-N 3.27Å; W68-A72 WeakPolarHBondContact O-CB 3.3Å; W68-A72 PolarHBondContact O-N 2.86Å; W68-L76 HydrophobicContact CE3-CD1 3.86Å; W68-L76 HydrophobicContact CZ3-CD1 3.84Å; W68-L173 HydrophobicContact CH2-CD1 4.34Å; W68-L173 HydrophobicContact CZ3-CD1 4.05Å; W68-F176 HydrophobicContact CH2-CB 4.35Å; W68-F176 HydrophobicContact CH2-CD2 4.25Å; W68-F176 HydrophobicContact CH2-CG 4.3Å; W68-F176 HydrophobicContact CZ2-CD1 4.32Å; W68-F176 AromaticContact CZ2-CD2 3.99Å; W68-F176 HydrophobicContact CZ2-CD2 3.99Å; W68-F176 HydrophobicContact CZ2-CE2 4.26Å; W68-F176 HydrophobicContact CZ2-CG 4.04Å; W68-N220 HydrophobicContact CH2-CB 4.04Å; W68-N220 HydrophobicContact CZ2-CB 3.87Å; W68-N220 HydrophobicContact CZ3-CB 4.48Å; W68-L309 HydrophobicContact CB-CD2 3.62Å; W68-L309 HydrophobicContact CG-CD2 3.71Å |
| 69 | T | 92.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.08 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -43.8 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 111 | W65 S66 F67 A72 K73 | W65-T69 WeakPolarHBondContact O-CB 3.48Å; W65-T69 PolarHBondContact O-N 2.85Å; W65-T69 PolarHBondContact O-OG1 3.15Å; S66-T69 PolarHBondContact O-N 2.66Å; F67-T69 VanDerWaalsContact C-N 3.34Å; F67-T69 PolarHBondContact O-N 3.46Å; T69-A72 PolarHBondContact O-N 3.48Å; T69-K73 WeakPolarHBondContact O-CG 3.42Å; T69-K73 PolarHBondContact O-N 3.2Å; T69-K73 VanDerWaalsContact O-N 3.08Å |
| 70 | E | 92.2 | Very high | 93.4 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.5 | -44 | 177.2 | -68.9 | -48.6 | 117.6 | 0 | 0 | 111.9 | S66 F67 A72 K73 K74 | S66-E70 WeakPolarHBondContact O-CG 3.21Å; S66-E70 PolarHBondContact O-N 3.29Å; F67-E70 PolarHBondContact O-N 2.91Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 2.86Å; E70-K73 PolarHBondContact O-N 2.82Å; E70-K73 IonicContact OE1-NZ 2.83Å; E70-K73 PolarHBondContact OE1-NZ 3.39Å; E70-K74 WeakPolarHBondContact O-CB 3.44Å; E70-K74 PolarHBondContact O-N 3.28Å |
| 71 | W | 93.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 2% | 0.023 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 174 | -86.5 | 105.9 | 0 | 0 | 0 | 113.3 | F67 K74 S75 L76 L113 E170 L173 | F67-W71 AromaticContact CD2-CD1 3.86Å; F67-W71 AromaticContact CD2-NE1 3.98Å; F67-W71 AromaticContact CE1-CD1 3.75Å; F67-W71 AromaticContact CE2-CD1 3.51Å; F67-W71 AromaticContact CE2-NE1 3.28Å; F67-W71 VanDerWaalsContact CE2-NE1 3.28Å; F67-W71 AromaticContact CZ-CD1 3.44Å; F67-W71 VanDerWaalsContact CZ-CD1 3.44Å; F67-W71 AromaticContact CZ-NE1 3.38Å; F67-W71 PolarHBondContact O-N 2.83Å; W71-K74 HydrophobicContact CZ3-CD 4.41Å; W71-K74 PolarHBondContact O-N 3.27Å; W71-S75 PolarHBondContact O-N 2.77Å; W71-L76 HydrophobicContact CB-CD1 3.62Å; W71-L76 HydrophobicContact CB-CG 4.03Å; W71-L76 HydrophobicContact CE3-CG 4.49Å; W71-L76 HydrophobicContact CG-CD1 4.4Å; W71-L76 PolarHBondContact O-N 2.99Å; W71-L113 HydrophobicContact CE3-CD2 4.35Å; W71-L113 HydrophobicContact CZ3-CD2 3.86Å; W71-E170 HydrophobicContact CH2-CG 4.09Å; W71-E170 HydrophobicContact CZ2-CG 3.95Å; W71-L173 HydrophobicContact CD2-CD1 4.48Å; W71-L173 HydrophobicContact CD2-CD2 4.08Å; W71-L173 HydrophobicContact CE3-CD2 3.98Å; W71-L173 HydrophobicContact CH2-CD2 3.51Å; W71-L173 HydrophobicContact CZ2-CB 4.03Å; W71-L173 HydrophobicContact CZ2-CD2 3.62Å; W71-L173 HydrophobicContact CZ2-CG 4.36Å; W71-L173 HydrophobicContact CZ3-CD2 3.7Å |
| 72 | A | 92.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -59.3 | -47.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W68 T69 E70 L77 | W68-A72 WeakPolarHBondContact O-CB 3.3Å; W68-A72 PolarHBondContact O-N 2.86Å; T69-A72 PolarHBondContact O-N 3.48Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 2.86Å; A72-L77 WeakPolarHBondContact O-CB 3.18Å; A72-L77 PolarHBondContact O-N 3.11Å |
| 73 | K | 90.4 | Very high | 93.8 | Very high | 124 Ų | 124 | 46.7 Ų | 46.7 | 54% | 0.539 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -64.3 | -45.1 | 177.5 | -68.2 | 169.1 | -172.5 | 166.1 | 0 | 112.3 | T69 E70 | T69-K73 WeakPolarHBondContact O-CG 3.42Å; T69-K73 PolarHBondContact O-N 3.2Å; T69-K73 VanDerWaalsContact O-N 3.08Å; E70-K73 PolarHBondContact O-N 2.82Å; E70-K73 IonicContact OE1-NZ 2.83Å; E70-K73 PolarHBondContact OE1-NZ 3.39Å |
| 74 | K | 90.4 | Very high | 94 | Very high | 121 Ų | 121 | 42.3 Ų | 42.3 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -66.4 | -47.5 | -174.9 | -171.6 | 178.7 | 179.9 | -176.2 | 0 | 112 | E70 W71 E170 | E70-K74 WeakPolarHBondContact O-CB 3.44Å; E70-K74 PolarHBondContact O-N 3.28Å; W71-K74 HydrophobicContact CZ3-CD 4.41Å; W71-K74 PolarHBondContact O-N 3.27Å; K74-E170 IonicContact NZ-OE1 3.47Å |
| 75 | S | 90.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -162.4 | -33.4 | -169 | 57.4 | 0 | 0 | 0 | 0 | 116.7 | W71 L77 W78 T79 L113 | W71-S75 PolarHBondContact O-N 2.77Å; S75-L77 PolarHBondContact O-N 3.07Å; S75-W78 PolarHBondContact O-N 3.33Å; S75-T79 PolarHBondContact O-N 3.31Å; S75-T79 PolarHBondContact O-OG1 3.28Å; S75-T79 VanDerWaalsContact O-OG1 3.12Å; S75-L113 WeakPolarHBondContact OG-CD2 3.41Å |
| 76 | L | 92.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -63.7 | -40 | -172.7 | -72.3 | -177.5 | 0 | 0 | 0 | 112.4 | W68 W71 W78 T79 L80 L113 Y219 | W68-L76 HydrophobicContact CE3-CD1 3.86Å; W68-L76 HydrophobicContact CZ3-CD1 3.84Å; W71-L76 HydrophobicContact CB-CD1 3.62Å; W71-L76 HydrophobicContact CB-CG 4.03Å; W71-L76 HydrophobicContact CE3-CG 4.49Å; W71-L76 HydrophobicContact CG-CD1 4.4Å; W71-L76 PolarHBondContact O-N 2.99Å; L76-W78 VanDerWaalsContact C-N 3.33Å; L76-W78 PolarHBondContact O-N 3.06Å; L76-T79 WeakPolarHBondContact CA-OG1 3.4Å; L76-T79 PolarHBondContact O-N 3.29Å; L76-T79 PolarHBondContact O-OG1 3.42Å; L76-L80 VanDerWaalsContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CB 3.29Å; L76-L80 WeakPolarHBondContact O-CD1 3.37Å; L76-L80 WeakPolarHBondContact O-CG 3.22Å; L76-L80 PolarHBondContact O-N 3.43Å; L76-L113 HydrophobicContact CD2-CD1 3.65Å; L76-Y219 HydrophobicContact CD2-CD2 3.55Å; L76-Y219 HydrophobicContact CD2-CE2 3.5Å; L76-Y219 VanDerWaalsContact CD2-CE2 3.5Å; L76-Y219 HydrophobicContact CD2-CG 4.42Å |
| 77 | L | 94 | Very high | 94.2 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 39% | 0.393 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -44 | 178.6 | -176.2 | 61.5 | 0 | 0 | 0 | 111 | A72 S75 L80 V81 L312 | A72-L77 WeakPolarHBondContact O-CB 3.18Å; A72-L77 PolarHBondContact O-N 3.11Å; S75-L77 PolarHBondContact O-N 3.07Å; L77-L80 PolarHBondContact O-N 3.24Å; L77-V81 WeakPolarHBondContact O-CB 3.35Å; L77-V81 VanDerWaalsContact O-CG2 3.25Å; L77-V81 WeakPolarHBondContact O-CG2 3.46Å; L77-V81 PolarHBondContact O-N 3.38Å; L77-L312 HydrophobicContact CD1-CD2 3.85Å |
| 78 | W | 94.8 | Very high | 94 | Very high | 175 Ų | 175 | 49.1 Ų | 49.1 | 66% | 0.663 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.5 | -40.9 | -179.2 | -61.2 | 117.4 | 0 | 0 | 0 | 112.9 | S75 L76 V81 G82 | S75-W78 PolarHBondContact O-N 3.33Å; L76-W78 VanDerWaalsContact C-N 3.33Å; L76-W78 PolarHBondContact O-N 3.06Å; W78-V81 PolarHBondContact O-N 3.15Å; W78-G82 PolarHBondContact O-N 3.42Å |
| 79 | T | 96.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 14% | 0.135 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 176.1 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | S75 L76 G82 H83 F105 A109 L113 H215 | S75-T79 PolarHBondContact O-N 3.31Å; S75-T79 PolarHBondContact O-OG1 3.28Å; S75-T79 VanDerWaalsContact O-OG1 3.12Å; L76-T79 WeakPolarHBondContact CA-OG1 3.4Å; L76-T79 PolarHBondContact O-N 3.29Å; L76-T79 PolarHBondContact O-OG1 3.42Å; T79-G82 PolarHBondContact O-N 2.99Å; T79-H83 WeakPolarHBondContact O-CB 3.46Å; T79-H83 PolarHBondContact O-N 3.07Å; T79-F105 WeakPolarHBondContact O-CE1 3.43Å; T79-A109 HydrophobicContact CG2-CB 4.22Å; T79-L113 HydrophobicContact CG2-CD1 4.47Å; T79-H215 VanDerWaalsContact CB-NE2 3.35Å; T79-H215 WeakPolarHBondContact CB-NE2 3.33Å; T79-H215 PolarHBondContact OG1-CE1 2.87Å; T79-H215 PolarHBondContact OG1-NE2 3.22Å |
| 80 | L | 96.3 | Very high | 93.8 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.12 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 173.3 | -74.1 | 168.7 | 0 | 0 | 0 | 112.5 | L76 L77 H83 G84 H215 L312 L316 | L76-L80 VanDerWaalsContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CB 3.29Å; L76-L80 WeakPolarHBondContact O-CD1 3.37Å; L76-L80 WeakPolarHBondContact O-CG 3.22Å; L76-L80 PolarHBondContact O-N 3.43Å; L77-L80 PolarHBondContact O-N 3.24Å; L80-H83 WeakPolarHBondContact O-CB 3.33Å; L80-H83 PolarHBondContact O-N 2.84Å; L80-G84 PolarHBondContact O-N 3.44Å; L80-H215 PolarHBondContact N-NE2 3.44Å; L80-L312 HydrophobicContact CD1-CD2 3.87Å; L80-L316 HydrophobicContact CB-CD1 3.88Å; L80-L316 HydrophobicContact CD2-CD1 3.79Å; L80-L316 HydrophobicContact CG-CD1 4.4Å |
| 81 | V | 95.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 42% | 0.418 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 172.6 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | L77 W78 H83 G84 V85 | L77-V81 WeakPolarHBondContact O-CB 3.35Å; L77-V81 VanDerWaalsContact O-CG2 3.25Å; L77-V81 WeakPolarHBondContact O-CG2 3.46Å; L77-V81 PolarHBondContact O-N 3.38Å; W78-V81 PolarHBondContact O-N 3.15Å; V81-H83 VanDerWaalsContact C-N 3.34Å; V81-H83 PolarHBondContact O-N 3.44Å; V81-G84 PolarHBondContact O-N 2.89Å; V81-G84 VanDerWaalsContact O-N 3.15Å; V81-V85 HydrophobicContact CG1-CG2 4.32Å; V81-V85 WeakPolarHBondContact O-CG2 3.49Å; V81-V85 PolarHBondContact O-N 2.89Å |
| 82 | G | 96.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W78 T79 V85 L86 | W78-G82 PolarHBondContact O-N 3.42Å; T79-G82 PolarHBondContact O-N 2.99Å; G82-V85 PolarHBondContact O-N 2.81Å; G82-L86 WeakPolarHBondContact O-CB 3.15Å; G82-L86 PolarHBondContact O-N 3.43Å |
| 83 | H | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.1 | -50.1 | 172.5 | 176.1 | 100.3 | 0 | 0 | 0 | 111.3 | T79 L80 V81 V85 L86 S87 F105 D106 Y214 P216 D320 | T79-H83 WeakPolarHBondContact O-CB 3.46Å; T79-H83 PolarHBondContact O-N 3.07Å; L80-H83 WeakPolarHBondContact O-CB 3.33Å; L80-H83 PolarHBondContact O-N 2.84Å; V81-H83 VanDerWaalsContact C-N 3.34Å; V81-H83 PolarHBondContact O-N 3.44Å; H83-V85 PolarHBondContact O-N 3.16Å; H83-L86 PolarHBondContact O-N 3.45Å; H83-S87 WeakPolarHBondContact O-CB 3.22Å; H83-S87 PolarHBondContact O-N 3.29Å; H83-F105 HydrophobicContact CB-CD1 4.19Å; H83-F105 HydrophobicContact CB-CE1 3.82Å; H83-F105 VanDerWaalsContact N-CE1 3.31Å; H83-D106 IonicContact CE1-OD1 2.98Å; H83-D106 PolarHBondContact CE1-OD1 3.33Å; H83-D106 IonicContact CE1-OD2 3.8Å; H83-D106 PolarHBondContact CE1-OD2 3.17Å; H83-D106 IonicContact CG-OD1 3.48Å; H83-D106 IonicContact ND1-OD1 3.83Å; H83-D106 PolarHBondContact ND1-OD1 3.48Å; H83-D106 IonicContact ND1-OD2 3.76Å; H83-D106 PolarHBondContact ND1-OD2 3.23Å; H83-Y214 AromaticContact CE1-CE2 3.8Å; H83-Y214 AromaticContact NE2-CE2 3.99Å; H83-P216 WeakPolarHBondContact NE2-CG 3.4Å; H83-D320 IonicContact CE1-OD2 3.56Å; H83-D320 IonicContact NE2-OD1 3.28Å; H83-D320 IonicContact NE2-OD2 3.91Å; H83-D320 PolarHBondContact NE2-OD2 3.39Å |
| 84 | G | 95.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L80 V81 S87 R88 | L80-G84 PolarHBondContact O-N 3.44Å; V81-G84 PolarHBondContact O-N 2.89Å; V81-G84 VanDerWaalsContact O-N 3.15Å; G84-S87 PolarHBondContact O-N 2.98Å; G84-R88 WeakPolarHBondContact O-CG 3.45Å; G84-R88 PolarHBondContact O-N 2.87Å |
| 85 | V | 95.2 | Very high | 93 | Very high | 79 Ų | 79 | 57.9 Ų | 57.9 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 176.8 | 172 | 0 | 0 | 0 | 0 | 110.7 | V81 G82 H83 S87 R88 L89 | V81-V85 HydrophobicContact CG1-CG2 4.32Å; V81-V85 WeakPolarHBondContact O-CG2 3.49Å; V81-V85 PolarHBondContact O-N 2.89Å; G82-V85 PolarHBondContact O-N 2.81Å; H83-V85 PolarHBondContact O-N 3.16Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 3.42Å; V85-R88 PolarHBondContact O-N 3.03Å; V85-L89 HydrophobicContact CG1-CD1 3.79Å; V85-L89 HydrophobicContact CG1-CG 4.28Å; V85-L89 WeakPolarHBondContact O-CG 3.5Å; V85-L89 PolarHBondContact O-N 3.43Å |
| 86 | L | 96.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 178.6 | -179.4 | 61.7 | 0 | 0 | 0 | 111.8 | G82 H83 R88 L89 A90 A101 L102 F105 | G82-L86 WeakPolarHBondContact O-CB 3.15Å; G82-L86 PolarHBondContact O-N 3.43Å; H83-L86 PolarHBondContact O-N 3.45Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 3.41Å; L86-L89 PolarHBondContact O-N 3.1Å; L86-A90 VanDerWaalsContact O-CB 3.23Å; L86-A90 WeakPolarHBondContact O-CB 3.27Å; L86-A90 PolarHBondContact O-N 3.4Å; L86-A101 HydrophobicContact CD2-CB 4.49Å; L86-L102 HydrophobicContact CB-CD2 4.4Å; L86-L102 HydrophobicContact CD2-CD2 4.26Å; L86-L102 HydrophobicContact CG-CD2 4.22Å; L86-F105 HydrophobicContact CD2-CB 3.34Å; L86-F105 HydrophobicContact CD2-CD1 4.42Å; L86-F105 HydrophobicContact CD2-CD2 3.97Å; L86-F105 HydrophobicContact CD2-CG 3.65Å |
| 87 | S | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.2 | -45.7 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | H83 G84 V85 A91 K98 D320 | H83-S87 WeakPolarHBondContact O-CB 3.22Å; H83-S87 PolarHBondContact O-N 3.29Å; G84-S87 PolarHBondContact O-N 2.98Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 3.42Å; S87-A91 WeakPolarHBondContact O-CB 3.36Å; S87-A91 PolarHBondContact O-N 3.37Å; S87-K98 WeakPolarHBondContact OG-CE 3.23Å; S87-D320 WeakPolarHBondContact CB-OD1 3.37Å; S87-D320 PolarHBondContact OG-OD1 2.97Å |
| 88 | R | 91.1 | Very high | 92.7 | Very high | 83 Ų | 83 | 68.6 Ų | 68.6 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 178.8 | -67.1 | -48.9 | -55.9 | 175.7 | 0.5 | 112.4 | G84 V85 L86 A91 I92 | G84-R88 WeakPolarHBondContact O-CG 3.45Å; G84-R88 PolarHBondContact O-N 2.87Å; V85-R88 PolarHBondContact O-N 3.03Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 3.41Å; R88-A91 PolarHBondContact O-N 2.68Å; R88-I92 WeakPolarHBondContact O-CD1 3.39Å; R88-I92 VanDerWaalsContact O-CG1 3.31Å; R88-I92 WeakPolarHBondContact O-CG1 3.25Å; R88-I92 PolarHBondContact O-N 3.02Å; R88-I92 VanDerWaalsContact O-N 3.11Å |
| 89 | L | 91.9 | Very high | 92.7 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 45% | 0.445 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 177.8 | -67.1 | 173.6 | 0 | 0 | 0 | 110.8 | V85 L86 A91 I92 F93 | V85-L89 HydrophobicContact CG1-CD1 3.79Å; V85-L89 HydrophobicContact CG1-CG 4.28Å; V85-L89 WeakPolarHBondContact O-CG 3.5Å; V85-L89 PolarHBondContact O-N 3.43Å; L86-L89 PolarHBondContact O-N 3.1Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.2Å; L89-I92 PolarHBondContact O-N 3.33Å; L89-I92 VanDerWaalsContact O-N 3.13Å; L89-F93 HydrophobicContact CB-CD2 4.36Å; L89-F93 HydrophobicContact CD2-CD2 4.44Å; L89-F93 HydrophobicContact CD2-CE2 3.88Å; L89-F93 WeakPolarHBondContact O-CD2 3.25Å; L89-F93 PolarHBondContact O-N 2.95Å |
| 90 | A | 91.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L86 I92 H94 P95 K98 | L86-A90 VanDerWaalsContact O-CB 3.23Å; L86-A90 WeakPolarHBondContact O-CB 3.27Å; L86-A90 PolarHBondContact O-N 3.4Å; A90-I92 VanDerWaalsContact C-N 3.28Å; A90-I92 PolarHBondContact O-N 2.98Å; A90-H94 CarbonylContact O-C 3.41Å; A90-H94 WeakPolarHBondContact O-CA 3.47Å; A90-H94 PolarHBondContact O-N 3.48Å; A90-P95 VanDerWaalsContact O-N 3.16Å; A90-K98 HydrophobicContact CB-CB 4.06Å; A90-K98 HydrophobicContact CB-CG 4.11Å |
| 91 | A | 88.3 | Confident | 92.7 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -28.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S87 R88 L89 P95 K98 | S87-A91 WeakPolarHBondContact O-CB 3.36Å; S87-A91 PolarHBondContact O-N 3.37Å; R88-A91 PolarHBondContact O-N 2.68Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.2Å; A91-P95 WeakPolarHBondContact O-CG 3.47Å; A91-K98 HydrophobicContact CB-CD 4.34Å |
| 92 | I | 87.4 | Confident | 92.8 | Very high | 110 Ų | 110 | 61.7 Ų | 61.7 | 56% | 0.564 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -84.5 | -48.5 | 178.4 | -67.1 | 164.7 | 0 | 0 | 0 | 111 | R88 L89 A90 | R88-I92 WeakPolarHBondContact O-CD1 3.39Å; R88-I92 VanDerWaalsContact O-CG1 3.31Å; R88-I92 WeakPolarHBondContact O-CG1 3.25Å; R88-I92 PolarHBondContact O-N 3.02Å; R88-I92 VanDerWaalsContact O-N 3.11Å; L89-I92 PolarHBondContact O-N 3.33Å; L89-I92 VanDerWaalsContact O-N 3.13Å; A90-I92 VanDerWaalsContact C-N 3.28Å; A90-I92 PolarHBondContact O-N 2.98Å |
| 93 | F | 90.3 | Very high | 92.8 | Very high | 140 Ų | 140 | 61 Ų | 61 | 61% | 0.614 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -90.1 | -42.5 | -170.3 | -65.7 | -70 | 0 | 0 | 0 | 113.5 | L89 | L89-F93 HydrophobicContact CB-CD2 4.36Å; L89-F93 HydrophobicContact CD2-CD2 4.44Å; L89-F93 HydrophobicContact CD2-CE2 3.88Å; L89-F93 WeakPolarHBondContact O-CD2 3.25Å; L89-F93 PolarHBondContact O-N 2.95Å |
| 94 | H | 89.7 | Confident | 92.9 | Very high | 122 Ų | 122 | 64.6 Ų | 64.6 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | trans | -144.1 | 72.3 | -174.7 | -64.2 | -63 | 0 | 0 | 0 | 112.7 | A90 K96 L97 K98 | A90-H94 CarbonylContact O-C 3.41Å; A90-H94 WeakPolarHBondContact O-CA 3.47Å; A90-H94 PolarHBondContact O-N 3.48Å; H94-K96 PolarHBondContact O-N 3.12Å; H94-K96 VanDerWaalsContact O-N 3.08Å; H94-L97 HydrophobicContact CB-CB 4.21Å; H94-L97 HydrophobicContact CB-CD1 4.33Å; H94-L97 PolarHBondContact O-N 3.39Å; H94-K98 PolarHBondContact O-N 3.01Å | ||
| 95 | P | 86.7 | Confident | 93 | Very high | 74 Ų | 74 | 67 Ų | 67 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -54.4 | -35.9 | -175.3 | -24 | 29.3 | 0 | 0 | 0 | 113.8 | A90 A91 L97 K98 | A90-P95 VanDerWaalsContact O-N 3.16Å; A91-P95 WeakPolarHBondContact O-CG 3.47Å; P95-L97 VanDerWaalsContact C-N 3.29Å; P95-L97 PolarHBondContact O-N 3.1Å; P95-K98 VanDerWaalsContact O-CB 3.31Å; P95-K98 WeakPolarHBondContact O-CB 3.42Å; P95-K98 PolarHBondContact O-N 3.08Å |
| 96 | K | 87.9 | Confident | 93.2 | Very high | 209 Ų | 209 | 63.3 Ų | 63.3 | 91% | 0.909 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -65.8 | -27.8 | 179.2 | -63.4 | -175.6 | -178.7 | 179 | 0 | 113.5 | H94 | H94-K96 PolarHBondContact O-N 3.12Å; H94-K96 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 91.4 | Very high | 93.3 | Very high | 97 Ų | 97 | 63.4 Ų | 63.4 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -95.9 | -5.1 | -179.8 | -66.2 | 178 | 0 | 0 | 0 | 112.9 | H94 P95 V99 L100 A101 | H94-L97 HydrophobicContact CB-CB 4.21Å; H94-L97 HydrophobicContact CB-CD1 4.33Å; H94-L97 PolarHBondContact O-N 3.39Å; P95-L97 VanDerWaalsContact C-N 3.29Å; P95-L97 PolarHBondContact O-N 3.1Å; L97-V99 PolarHBondContact O-N 3.45Å; L97-L100 HydrophobicContact CD2-CD2 4.4Å; L97-L100 PolarHBondContact O-N 2.89Å; L97-L100 VanDerWaalsContact O-N 3.14Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 3.34Å |
| 98 | K | 93.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 68.3 Ų | 68.3 | 12% | 0.122 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -50.6 | -53 | -176.7 | -178.3 | -172.2 | -179.9 | -174.7 | 0 | 112.6 | S87 A90 A91 H94 P95 L100 A101 L102 D320 | S87-K98 WeakPolarHBondContact OG-CE 3.23Å; A90-K98 HydrophobicContact CB-CB 4.06Å; A90-K98 HydrophobicContact CB-CG 4.11Å; A91-K98 HydrophobicContact CB-CD 4.34Å; H94-K98 PolarHBondContact O-N 3.01Å; P95-K98 VanDerWaalsContact O-CB 3.31Å; P95-K98 WeakPolarHBondContact O-CB 3.42Å; P95-K98 PolarHBondContact O-N 3.08Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 3.36Å; K98-A101 PolarHBondContact O-N 3.43Å; K98-L102 HydrophobicContact CG-CD1 3.97Å; K98-L102 HydrophobicContact CG-CG 4.4Å; K98-L102 WeakPolarHBondContact O-CB 3.49Å; K98-L102 VanDerWaalsContact O-CG 3.32Å; K98-L102 WeakPolarHBondContact O-CG 3.42Å; K98-L102 PolarHBondContact O-N 3.14Å; K98-D320 VanDerWaalsContact NZ-CA 3.35Å; K98-D320 PolarHBondContact NZ-O 2.91Å; K98-D320 IonicContact NZ-OD1 3.96Å |
| 99 | V | 94.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 64.6 Ų | 64.6 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | -177.2 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | L97 T103 F206 W207 M233 | L97-V99 PolarHBondContact O-N 3.45Å; V99-T103 VanDerWaalsContact O-CB 3.29Å; V99-T103 WeakPolarHBondContact O-CB 3.49Å; V99-T103 PolarHBondContact O-N 2.7Å; V99-T103 PolarHBondContact O-OG1 3.48Å; V99-F206 HydrophobicContact CG1-CE1 4.1Å; V99-F206 HydrophobicContact CG1-CZ 4.03Å; V99-W207 HydrophobicContact CG1-CH2 4.05Å; V99-W207 HydrophobicContact CG1-CZ3 3.97Å; V99-W207 HydrophobicContact CG2-CH2 4.47Å; V99-M233 HydrophobicContact CG2-CE 4.18Å |
| 100 | L | 96.1 | Very high | 94 | Very high | 84 Ų | 84 | 60.6 Ų | 60.6 | 44% | 0.44 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 177.9 | 179.3 | 63.1 | 0 | 0 | 0 | 111.3 | L97 K98 L102 T103 V104 F206 | L97-L100 HydrophobicContact CD2-CD2 4.4Å; L97-L100 PolarHBondContact O-N 2.89Å; L97-L100 VanDerWaalsContact O-N 3.14Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 3.36Å; L100-L102 PolarHBondContact O-N 2.8Å; L100-T103 PolarHBondContact O-N 3.08Å; L100-V104 HydrophobicContact CD1-CG2 4.37Å; L100-V104 WeakPolarHBondContact O-CG2 3.48Å; L100-V104 PolarHBondContact O-N 3.06Å; L100-F206 HydrophobicContact CD1-CE2 3.81Å; L100-F206 HydrophobicContact CD1-CZ 4.43Å |
| 101 | A | 96.5 | Very high | 94.3 | Very high | 34 Ų | 34 | 61.5 Ų | 61.5 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L86 L97 K98 V104 F105 | L86-A101 HydrophobicContact CD2-CB 4.49Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 3.34Å; K98-A101 PolarHBondContact O-N 3.43Å; A101-V104 PolarHBondContact O-N 3.29Å; A101-F105 WeakPolarHBondContact O-CB 3.29Å; A101-F105 PolarHBondContact O-N 2.85Å |
| 102 | L | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.9 | -67.9 | 179.2 | 0 | 0 | 0 | 111.5 | L86 K98 L100 V104 F105 D106 | L86-L102 HydrophobicContact CB-CD2 4.4Å; L86-L102 HydrophobicContact CD2-CD2 4.26Å; L86-L102 HydrophobicContact CG-CD2 4.22Å; K98-L102 HydrophobicContact CG-CD1 3.97Å; K98-L102 HydrophobicContact CG-CG 4.4Å; K98-L102 WeakPolarHBondContact O-CB 3.49Å; K98-L102 VanDerWaalsContact O-CG 3.32Å; K98-L102 WeakPolarHBondContact O-CG 3.42Å; K98-L102 PolarHBondContact O-N 3.14Å; L100-L102 PolarHBondContact O-N 2.8Å; L102-V104 VanDerWaalsContact C-N 3.32Å; L102-V104 PolarHBondContact O-N 2.79Å; L102-F105 PolarHBondContact O-N 3.43Å; L102-D106 WeakPolarHBondContact O-CB 3.45Å; L102-D106 PolarHBondContact O-N 2.67Å |
| 103 | T | 97.9 | Very high | 95 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | V99 L100 F107 F206 F209 S210 | V99-T103 VanDerWaalsContact O-CB 3.29Å; V99-T103 WeakPolarHBondContact O-CB 3.49Å; V99-T103 PolarHBondContact O-N 2.7Å; V99-T103 PolarHBondContact O-OG1 3.48Å; L100-T103 PolarHBondContact O-N 3.08Å; T103-F107 VanDerWaalsContact O-CB 3.31Å; T103-F107 WeakPolarHBondContact O-CB 3.47Å; T103-F107 PolarHBondContact O-N 3.44Å; T103-F107 VanDerWaalsContact O-N 3.1Å; T103-F206 HydrophobicContact CG2-CE2 4.22Å; T103-F209 HydrophobicContact CG2-CD1 3.48Å; T103-F209 VanDerWaalsContact CG2-CD1 3.48Å; T103-F209 HydrophobicContact CG2-CE1 3.77Å; T103-S210 WeakPolarHBondContact OG1-CB 3.33Å; T103-S210 PolarHBondContact OG1-OG 3.23Å; T103-S210 VanDerWaalsContact OG1-OG 3.13Å |
| 104 | V | 98.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67 | -47.9 | 178.5 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L100 A101 L102 F107 L108 | L100-V104 HydrophobicContact CD1-CG2 4.37Å; L100-V104 WeakPolarHBondContact O-CG2 3.48Å; L100-V104 PolarHBondContact O-N 3.06Å; A101-V104 PolarHBondContact O-N 3.29Å; L102-V104 VanDerWaalsContact C-N 3.32Å; L102-V104 PolarHBondContact O-N 2.79Å; V104-F107 PolarHBondContact O-N 2.96Å; V104-L108 HydrophobicContact CG1-CD1 4.04Å; V104-L108 VanDerWaalsContact O-CG 3.29Å; V104-L108 WeakPolarHBondContact O-CG 3.31Å; V104-L108 PolarHBondContact O-N 3.46Å |
| 105 | F | 98.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 49 Ų | 49 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 179.1 | 177.7 | -90 | 0 | 0 | 0 | 112.1 | T79 H83 L86 A101 L102 F107 L108 A109 | T79-F105 WeakPolarHBondContact O-CE1 3.43Å; H83-F105 HydrophobicContact CB-CD1 4.19Å; H83-F105 HydrophobicContact CB-CE1 3.82Å; H83-F105 VanDerWaalsContact N-CE1 3.31Å; L86-F105 HydrophobicContact CD2-CB 3.34Å; L86-F105 HydrophobicContact CD2-CD1 4.42Å; L86-F105 HydrophobicContact CD2-CD2 3.97Å; L86-F105 HydrophobicContact CD2-CG 3.65Å; A101-F105 WeakPolarHBondContact O-CB 3.29Å; A101-F105 PolarHBondContact O-N 2.85Å; L102-F105 PolarHBondContact O-N 3.43Å; F105-F107 VanDerWaalsContact C-N 3.32Å; F105-F107 PolarHBondContact O-N 2.78Å; F105-L108 PolarHBondContact O-N 2.88Å; F105-L108 VanDerWaalsContact O-N 3.16Å; F105-A109 HydrophobicContact CE1-CB 4.45Å; F105-A109 WeakPolarHBondContact O-CB 3.16Å; F105-A109 PolarHBondContact O-N 3.3Å |
| 106 | D | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.011 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | -178.3 | -71.7 | -0.9 | 0 | 0 | 0 | 111.5 | H83 L102 A109 A110 F213 H215 | H83-D106 IonicContact CE1-OD1 2.98Å; H83-D106 PolarHBondContact CE1-OD1 3.33Å; H83-D106 IonicContact CE1-OD2 3.8Å; H83-D106 PolarHBondContact CE1-OD2 3.17Å; H83-D106 IonicContact CG-OD1 3.48Å; H83-D106 IonicContact ND1-OD1 3.83Å; H83-D106 PolarHBondContact ND1-OD1 3.48Å; H83-D106 IonicContact ND1-OD2 3.76Å; H83-D106 PolarHBondContact ND1-OD2 3.23Å; L102-D106 WeakPolarHBondContact O-CB 3.45Å; L102-D106 PolarHBondContact O-N 2.67Å; D106-A109 PolarHBondContact O-N 3.37Å; D106-A110 WeakPolarHBondContact O-CB 3.37Å; D106-A110 PolarHBondContact O-N 3.38Å; D106-F213 WeakPolarHBondContact CB-O 3.29Å; D106-H215 HydrophobicContact CB-CB 3.9Å; D106-H215 VanDerWaalsContact OD1-CB 3.29Å; D106-H215 WeakPolarHBondContact OD1-CB 3.42Å; D106-H215 PolarHBondContact OD2-N 3.27Å |
| 107 | F | 98.4 | Very high | 96.4 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 23% | 0.228 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.1 | 175.4 | -107.6 | 0 | 0 | 0 | 112.6 | T103 V104 F105 A110 S111 V119 L123 F209 F213 | T103-F107 VanDerWaalsContact O-CB 3.31Å; T103-F107 WeakPolarHBondContact O-CB 3.47Å; T103-F107 PolarHBondContact O-N 3.44Å; T103-F107 VanDerWaalsContact O-N 3.1Å; V104-F107 PolarHBondContact O-N 2.96Å; F105-F107 VanDerWaalsContact C-N 3.32Å; F105-F107 PolarHBondContact O-N 2.78Å; F107-A110 PolarHBondContact O-N 2.83Å; F107-S111 WeakPolarHBondContact O-CB 3.41Å; F107-S111 PolarHBondContact O-N 3.39Å; F107-S111 PolarHBondContact O-OG 3.27Å; F107-V119 HydrophobicContact CD2-CG1 4.35Å; F107-V119 HydrophobicContact CE2-CG1 3.46Å; F107-V119 VanDerWaalsContact CE2-CG1 3.46Å; F107-V119 HydrophobicContact CZ-CG1 4.04Å; F107-L123 HydrophobicContact CE2-CD1 4.23Å; F107-L123 HydrophobicContact CE2-CD2 4.29Å; F107-L123 HydrophobicContact CZ-CD1 4.37Å; F107-F209 HydrophobicContact CB-CE1 3.88Å; F107-F209 HydrophobicContact CB-CZ 3.98Å; F107-F209 HydrophobicContact CD1-CZ 4.21Å; F107-F209 HydrophobicContact CD2-CE1 4.05Å; F107-F209 HydrophobicContact CD2-CE2 4.1Å; F107-F209 AromaticContact CD2-CZ 3.32Å; F107-F209 HydrophobicContact CD2-CZ 3.32Å; F107-F209 HydrophobicContact CE2-CE2 4.18Å; F107-F209 AromaticContact CE2-CZ 3.75Å; F107-F209 HydrophobicContact CE2-CZ 3.75Å; F107-F209 AromaticContact CG-CE1 3.99Å; F107-F209 HydrophobicContact CG-CE1 3.99Å; F107-F209 AromaticContact CG-CZ 3.56Å; F107-F209 HydrophobicContact CG-CZ 3.56Å; F107-F209 HydrophobicContact CZ-CZ 4.37Å; F107-F213 HydrophobicContact CD2-CD1 4.15Å; F107-F213 HydrophobicContact CD2-CD2 4.07Å; F107-F213 HydrophobicContact CD2-CE1 4.05Å; F107-F213 AromaticContact CD2-CE2 3.97Å; F107-F213 HydrophobicContact CD2-CE2 3.97Å; F107-F213 HydrophobicContact CD2-CG 4.17Å; F107-F213 AromaticContact CD2-CZ 3.97Å; F107-F213 HydrophobicContact CD2-CZ 3.97Å; F107-F213 HydrophobicContact CE2-CE1 4.45Å; F107-F213 HydrophobicContact CE2-CE2 4.32Å; F107-F213 HydrophobicContact CE2-CZ 4.11Å |
| 108 | L | 98.1 | Very high | 96.7 | Very high | 103 Ų | 103 | 43.2 Ų | 43.2 | 54% | 0.539 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.4 | -41 | 175.7 | -69.9 | 174 | 0 | 0 | 0 | 111.4 | V104 F105 S111 S112 | V104-L108 HydrophobicContact CG1-CD1 4.04Å; V104-L108 VanDerWaalsContact O-CG 3.29Å; V104-L108 WeakPolarHBondContact O-CG 3.31Å; V104-L108 PolarHBondContact O-N 3.46Å; F105-L108 PolarHBondContact O-N 2.88Å; F105-L108 VanDerWaalsContact O-N 3.16Å; L108-S111 PolarHBondContact O-N 3.12Å; L108-S112 WeakPolarHBondContact O-CB 3.47Å; L108-S112 PolarHBondContact O-N 2.98Å |
| 109 | A | 97.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -50.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T79 F105 D106 S111 S112 L113 | T79-A109 HydrophobicContact CG2-CB 4.22Å; F105-A109 HydrophobicContact CE1-CB 4.45Å; F105-A109 WeakPolarHBondContact O-CB 3.16Å; F105-A109 PolarHBondContact O-N 3.3Å; D106-A109 PolarHBondContact O-N 3.37Å; A109-S111 VanDerWaalsContact C-N 3.31Å; A109-S111 PolarHBondContact O-N 3.32Å; A109-S112 PolarHBondContact O-N 3.43Å; A109-S112 PolarHBondContact O-OG 2.71Å; A109-L113 VanDerWaalsContact O-CG 3.26Å; A109-L113 WeakPolarHBondContact O-CG 3.48Å; A109-L113 PolarHBondContact O-N 3Å; A109-L113 VanDerWaalsContact O-N 3.1Å |
| 110 | A | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | D106 F107 L113 L114 F213 F218 | D106-A110 WeakPolarHBondContact O-CB 3.37Å; D106-A110 PolarHBondContact O-N 3.38Å; F107-A110 PolarHBondContact O-N 2.83Å; A110-L113 PolarHBondContact O-N 3.24Å; A110-L114 WeakPolarHBondContact O-CB 3.14Å; A110-L114 PolarHBondContact O-N 2.98Å; A110-F213 HydrophobicContact CB-CD1 3.81Å; A110-F213 HydrophobicContact CB-CE1 4.19Å; A110-F218 HydrophobicContact CB-CE1 3.92Å; A110-F218 HydrophobicContact CB-CZ 3.94Å |
| 111 | S | 97.1 | Very high | 97.1 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 177.6 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | F107 L108 A109 L113 G115 | F107-S111 WeakPolarHBondContact O-CB 3.41Å; F107-S111 PolarHBondContact O-N 3.39Å; F107-S111 PolarHBondContact O-OG 3.27Å; L108-S111 PolarHBondContact O-N 3.12Å; A109-S111 VanDerWaalsContact C-N 3.31Å; A109-S111 PolarHBondContact O-N 3.32Å; S111-L113 VanDerWaalsContact C-N 3.32Å; S111-G115 WeakPolarHBondContact O-CA 3.39Å; S111-G115 PolarHBondContact O-N 3.18Å |
| 112 | S | 95.6 | Very high | 97.2 | Very high | 86 Ų | 86 | 37.9 Ų | 37.9 | 60% | 0.601 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -69.4 | -31.3 | 176.2 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | L108 A109 | L108-S112 WeakPolarHBondContact O-CB 3.47Å; L108-S112 PolarHBondContact O-N 2.98Å; A109-S112 PolarHBondContact O-N 3.43Å; A109-S112 PolarHBondContact O-OG 2.71Å |
| 113 | L | 94.6 | Very high | 97.2 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -89.1 | -42.4 | -175.3 | -68.3 | 169 | 0 | 0 | 0 | 113.1 | W71 S75 L76 T79 A109 A110 S111 L173 Y219 | W71-L113 HydrophobicContact CE3-CD2 4.35Å; W71-L113 HydrophobicContact CZ3-CD2 3.86Å; S75-L113 WeakPolarHBondContact OG-CD2 3.41Å; L76-L113 HydrophobicContact CD2-CD1 3.65Å; T79-L113 HydrophobicContact CG2-CD1 4.47Å; A109-L113 VanDerWaalsContact O-CG 3.26Å; A109-L113 WeakPolarHBondContact O-CG 3.48Å; A109-L113 PolarHBondContact O-N 3Å; A109-L113 VanDerWaalsContact O-N 3.1Å; A110-L113 PolarHBondContact O-N 3.24Å; S111-L113 VanDerWaalsContact C-N 3.32Å; L113-L173 HydrophobicContact CB-CD2 4.25Å; L113-Y219 VanDerWaalsContact CB-OH 3.24Å; L113-Y219 WeakPolarHBondContact CB-OH 3.32Å; L113-Y219 HydrophobicContact CD1-CE2 3.63Å; L113-Y219 WeakPolarHBondContact CD1-OH 3.13Å |
| 114 | L | 96.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -93.9 | -13.5 | -178.9 | -64.7 | 178.8 | 0 | 0 | 0 | 113.2 | A110 V119 L122 Y165 L173 L174 F218 Y219 | A110-L114 WeakPolarHBondContact O-CB 3.14Å; A110-L114 PolarHBondContact O-N 2.98Å; L114-V119 HydrophobicContact CB-CG2 4.05Å; L114-V119 HydrophobicContact CD1-CG2 4.35Å; L114-L122 HydrophobicContact CD1-CD1 3.69Å; L114-Y165 WeakPolarHBondContact O-CE1 3.25Å; L114-Y165 PolarHBondContact O-OH 3.22Å; L114-Y165 VanDerWaalsContact O-OH 3.07Å; L114-L173 HydrophobicContact CD2-CB 4.29Å; L114-L173 HydrophobicContact CD2-CD2 4.01Å; L114-L173 HydrophobicContact CD2-CG 3.89Å; L114-L174 HydrophobicContact CD2-CB 4.28Å; L114-F218 HydrophobicContact CD1-CE1 3.86Å; L114-F218 HydrophobicContact CD1-CZ 4.04Å; L114-Y219 HydrophobicContact CD1-CE1 4.44Å; L114-Y219 HydrophobicContact CD2-CE1 4.13Å; L114-Y219 HydrophobicContact CG-CE1 4.23Å |
| 115 | G | 96.3 | Very high | 97.3 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | 68.2 | 171.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S111 K117 G118 V119 | S111-G115 WeakPolarHBondContact O-CA 3.39Å; S111-G115 PolarHBondContact O-N 3.18Å; G115-K117 VanDerWaalsContact C-N 3.32Å; G115-K117 PolarHBondContact O-N 3.28Å; G115-G118 PolarHBondContact O-N 2.96Å; G115-V119 PolarHBondContact O-N 3.11Å; G115-V119 VanDerWaalsContact O-N 3.07Å |
| 116 | F | 95.7 | Very high | 97.3 | Very high | 170 Ų | 170 | 39.6 Ų | 39.6 | 75% | 0.746 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.9 | -34.1 | -174.9 | 71.9 | -86.8 | 0 | 0 | 0 | 113.3 | G120 | F116-G120 WeakPolarHBondContact O-CA 3.27Å; F116-G120 PolarHBondContact O-N 3.2Å |
| 117 | K | 96.6 | Very high | 97.3 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.4 | -46.3 | 178.6 | -62.7 | -176.3 | -178.7 | 172.8 | 0 | 111.4 | G115 G120 V121 W164 | G115-K117 VanDerWaalsContact C-N 3.32Å; G115-K117 PolarHBondContact O-N 3.28Å; K117-G120 PolarHBondContact O-N 3.11Å; K117-V121 PolarHBondContact O-N 2.98Å; K117-V121 VanDerWaalsContact O-N 3.1Å; K117-W164 HydrophobicContact CB-CD2 3.89Å; K117-W164 HydrophobicContact CB-CE3 3.62Å; K117-W164 HydrophobicContact CB-CG 4.38Å; K117-W164 HydrophobicContact CB-CZ3 4.01Å; K117-W164 HydrophobicContact CD-CB 3.89Å; K117-W164 HydrophobicContact CD-CD2 3.71Å; K117-W164 HydrophobicContact CD-CE3 4.33Å; K117-W164 HydrophobicContact CD-CG 3.48Å; K117-W164 VanDerWaalsContact CD-CG 3.48Å; K117-W164 HydrophobicContact CG-CD2 4.42Å |
| 118 | G | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -48.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G115 G120 V121 L122 Y165 | G115-G118 PolarHBondContact O-N 2.96Å; G118-G120 VanDerWaalsContact C-N 3.3Å; G118-G120 PolarHBondContact O-N 3.27Å; G118-V121 WeakPolarHBondContact O-CB 3.49Å; G118-V121 PolarHBondContact O-N 3.26Å; G118-L122 PolarHBondContact O-N 3.15Å; G118-Y165 WeakPolarHBondContact CA-OH 3.14Å |
| 119 | V | 97.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -36.4 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | F107 L114 G115 V121 L122 L123 F213 | F107-V119 HydrophobicContact CD2-CG1 4.35Å; F107-V119 HydrophobicContact CE2-CG1 3.46Å; F107-V119 VanDerWaalsContact CE2-CG1 3.46Å; F107-V119 HydrophobicContact CZ-CG1 4.04Å; L114-V119 HydrophobicContact CB-CG2 4.05Å; L114-V119 HydrophobicContact CD1-CG2 4.35Å; G115-V119 PolarHBondContact O-N 3.11Å; G115-V119 VanDerWaalsContact O-N 3.07Å; V119-V121 VanDerWaalsContact C-N 3.29Å; V119-V121 PolarHBondContact O-N 3.49Å; V119-L122 PolarHBondContact O-N 3.07Å; V119-L122 VanDerWaalsContact O-N 3.08Å; V119-L123 HydrophobicContact CG1-CD1 3.91Å; V119-L123 HydrophobicContact CG1-CG 4.04Å; V119-L123 WeakPolarHBondContact O-CG 3.42Å; V119-L123 PolarHBondContact O-N 3.27Å; V119-F213 HydrophobicContact CG1-CE1 4.31Å; V119-F213 HydrophobicContact CG1-CZ 4.22Å |
| 120 | G | 97.9 | Very high | 97.3 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.1 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F116 K117 G118 L123 L124 | F116-G120 WeakPolarHBondContact O-CA 3.27Å; F116-G120 PolarHBondContact O-N 3.2Å; K117-G120 PolarHBondContact O-N 3.11Å; G118-G120 VanDerWaalsContact C-N 3.3Å; G118-G120 PolarHBondContact O-N 3.27Å; G120-L123 PolarHBondContact O-N 3.22Å; G120-L124 WeakPolarHBondContact O-CB 3.42Å; G120-L124 PolarHBondContact O-N 3.38Å |
| 121 | V | 97.5 | Very high | 97.3 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 173.2 | 173.4 | 0 | 0 | 0 | 0 | 111 | K117 G118 V119 L123 L124 Q125 W164 V178 | K117-V121 PolarHBondContact O-N 2.98Å; K117-V121 VanDerWaalsContact O-N 3.1Å; G118-V121 WeakPolarHBondContact O-CB 3.49Å; G118-V121 PolarHBondContact O-N 3.26Å; V119-V121 VanDerWaalsContact C-N 3.29Å; V119-V121 PolarHBondContact O-N 3.49Å; V121-L123 PolarHBondContact O-N 2.83Å; V121-L124 WeakPolarHBondContact O-CB 3.5Å; V121-L124 PolarHBondContact O-N 3.48Å; V121-Q125 HydrophobicContact CG1-CG 4.44Å; V121-Q125 WeakPolarHBondContact O-CG 3.35Å; V121-Q125 PolarHBondContact O-N 3.09Å; V121-W164 HydrophobicContact CG2-CH2 3.6Å; V121-W164 HydrophobicContact CG2-CZ3 3.58Å; V121-V178 HydrophobicContact CG1-CG2 4.32Å |
| 122 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | -179.6 | -62.6 | 178.1 | 0 | 0 | 0 | 112.2 | L114 G118 V119 Q125 L126 V178 C181 F213 F218 | L114-L122 HydrophobicContact CD1-CD1 3.69Å; G118-L122 PolarHBondContact O-N 3.15Å; V119-L122 PolarHBondContact O-N 3.07Å; V119-L122 VanDerWaalsContact O-N 3.08Å; L122-Q125 PolarHBondContact O-N 3.11Å; L122-L126 VanDerWaalsContact O-CB 3.23Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 3.31Å; L122-V178 HydrophobicContact CD2-CB 4.38Å; L122-V178 HydrophobicContact CD2-CG2 3.71Å; L122-C181 HydrophobicContact CD2-CB 4.09Å; L122-F213 HydrophobicContact CB-CZ 4.32Å; L122-F213 HydrophobicContact CD1-CE1 4.23Å; L122-F218 HydrophobicContact CD1-CE2 4.19Å; L122-F218 HydrophobicContact CD1-CZ 3.53Å |
| 123 | L | 98.5 | Very high | 97.4 | Very high | 55 Ų | 55 | 38 Ų | 38 | 29% | 0.288 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.2 | -37.7 | 175.8 | -67.6 | 176.3 | 0 | 0 | 0 | 112.2 | F107 V119 G120 V121 S127 F209 F213 | F107-L123 HydrophobicContact CE2-CD1 4.23Å; F107-L123 HydrophobicContact CE2-CD2 4.29Å; F107-L123 HydrophobicContact CZ-CD1 4.37Å; V119-L123 HydrophobicContact CG1-CD1 3.91Å; V119-L123 HydrophobicContact CG1-CG 4.04Å; V119-L123 WeakPolarHBondContact O-CG 3.42Å; V119-L123 PolarHBondContact O-N 3.27Å; G120-L123 PolarHBondContact O-N 3.22Å; V121-L123 PolarHBondContact O-N 2.83Å; L123-S127 WeakPolarHBondContact O-CB 3.22Å; L123-S127 PolarHBondContact O-N 2.92Å; L123-S127 PolarHBondContact O-OG 3.46Å; L123-F209 HydrophobicContact CD2-CD2 4.21Å; L123-F209 HydrophobicContact CD2-CE2 3.64Å; L123-F213 HydrophobicContact CD2-CE2 3.78Å; L123-F213 HydrophobicContact CD2-CZ 3.88Å; L123-F213 HydrophobicContact CG-CZ 4.39Å |
| 124 | L | 98.1 | Very high | 97.4 | Very high | 116 Ų | 116 | 39.7 Ų | 39.7 | 61% | 0.607 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.4 | -49.2 | 173.9 | 179.2 | 64.3 | 0 | 0 | 0 | 110.8 | G120 V121 L126 S127 V128 | G120-L124 WeakPolarHBondContact O-CB 3.42Å; G120-L124 PolarHBondContact O-N 3.38Å; V121-L124 WeakPolarHBondContact O-CB 3.5Å; V121-L124 PolarHBondContact O-N 3.48Å; L124-L126 PolarHBondContact O-N 3.4Å; L124-S127 PolarHBondContact O-N 3.02Å; L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 3.46Å |
| 125 | Q | 98.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 177.5 | -66.7 | -169.8 | 0.8 | 0 | 0 | 111.7 | V121 L122 S127 V128 A129 L148 T151 F185 | V121-Q125 HydrophobicContact CG1-CG 4.44Å; V121-Q125 WeakPolarHBondContact O-CG 3.35Å; V121-Q125 PolarHBondContact O-N 3.09Å; L122-Q125 PolarHBondContact O-N 3.11Å; Q125-S127 VanDerWaalsContact C-N 3.32Å; Q125-S127 PolarHBondContact O-N 2.89Å; Q125-V128 PolarHBondContact O-N 3.13Å; Q125-A129 WeakPolarHBondContact O-CB 3.29Å; Q125-A129 PolarHBondContact O-N 3.44Å; Q125-L148 HydrophobicContact CB-CD1 4.26Å; Q125-L148 HydrophobicContact CB-CD2 4.44Å; Q125-L148 HydrophobicContact CG-CD2 4.15Å; Q125-L148 WeakPolarHBondContact O-CD1 3.46Å; Q125-T151 PolarHBondContact NE2-OG1 3.26Å; Q125-F185 HydrophobicContact CB-CD2 4.26Å; Q125-F185 HydrophobicContact CB-CE2 3.56Å; Q125-F185 HydrophobicContact CB-CZ 4.24Å |
| 126 | L | 98.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 174.2 | -177.9 | 158.2 | 0 | 0 | 0 | 111.2 | L122 L124 A129 F130 F185 L205 L208 F209 T212 F213 | L122-L126 VanDerWaalsContact O-CB 3.23Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 3.31Å; L124-L126 PolarHBondContact O-N 3.4Å; L126-A129 PolarHBondContact O-N 3.21Å; L126-F130 VanDerWaalsContact O-CB 3.25Å; L126-F130 WeakPolarHBondContact O-CB 3.29Å; L126-F130 PolarHBondContact O-N 3.38Å; L126-F185 HydrophobicContact CB-CE1 3.79Å; L126-F185 HydrophobicContact CB-CZ 3.91Å; L126-F185 HydrophobicContact CD1-CE1 4.42Å; L126-F185 HydrophobicContact CG-CE1 4.17Å; L126-L205 HydrophobicContact CD2-CD1 3.74Å; L126-L208 HydrophobicContact CD1-CG 4.2Å; L126-L208 HydrophobicContact CD2-CD2 3.99Å; L126-L208 HydrophobicContact CD2-CG 4.39Å; L126-L208 HydrophobicContact CG-CD2 3.88Å; L126-L208 HydrophobicContact CG-CG 4Å; L126-F209 HydrophobicContact CD1-CD2 4.28Å; L126-T212 HydrophobicContact CD1-CG2 4.15Å; L126-F213 HydrophobicContact CD1-CE2 4.47Å |
| 127 | S | 98.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 47 Ų | 47 | 43% | 0.427 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -42.9 | -179 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | L123 L124 Q125 S131 | L123-S127 WeakPolarHBondContact O-CB 3.22Å; L123-S127 PolarHBondContact O-N 2.92Å; L123-S127 PolarHBondContact O-OG 3.46Å; L124-S127 PolarHBondContact O-N 3.02Å; Q125-S127 VanDerWaalsContact C-N 3.32Å; Q125-S127 PolarHBondContact O-N 2.89Å; S127-S131 VanDerWaalsContact O-CB 3.3Å; S127-S131 WeakPolarHBondContact O-CB 3.28Å; S127-S131 PolarHBondContact O-N 3.45Å; S127-S131 PolarHBondContact O-OG 2.95Å |
| 128 | V | 98.3 | Very high | 97.4 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.7 | -49.7 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L124 Q125 F130 S131 V132 L148 | L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 3.46Å; Q125-V128 PolarHBondContact O-N 3.13Å; V128-F130 VanDerWaalsContact C-N 3.33Å; V128-F130 PolarHBondContact O-N 3.24Å; V128-S131 PolarHBondContact O-N 3Å; V128-V132 HydrophobicContact CG1-CG2 4.41Å; V128-V132 WeakPolarHBondContact O-CG2 3.25Å; V128-V132 PolarHBondContact O-N 3.34Å; V128-L148 HydrophobicContact CB-CD1 4.18Å; V128-L148 HydrophobicContact CB-CD2 4.21Å; V128-L148 HydrophobicContact CG1-CD1 4.1Å; V128-L148 HydrophobicContact CG1-CD2 4.07Å; V128-L148 HydrophobicContact CG1-CG 4.41Å |
| 129 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q125 L126 A133 L148 F185 S189 | Q125-A129 WeakPolarHBondContact O-CB 3.29Å; Q125-A129 PolarHBondContact O-N 3.44Å; L126-A129 PolarHBondContact O-N 3.21Å; A129-A133 WeakPolarHBondContact O-CB 3.35Å; A129-A133 PolarHBondContact O-N 3.12Å; A129-L148 HydrophobicContact CB-CD1 4.14Å; A129-F185 HydrophobicContact CB-CB 3.85Å; A129-F185 HydrophobicContact CB-CD1 4.49Å; A129-F185 HydrophobicContact CB-CG 4.09Å; A129-S189 PolarHBondContact O-OG 2.9Å |
| 130 | F | 98.1 | Very high | 97.4 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -47 | 175.8 | -177.7 | -101.2 | 0 | 0 | 0 | 111.7 | L126 V128 A133 Q134 F188 Q204 L205 L208 | L126-F130 VanDerWaalsContact O-CB 3.25Å; L126-F130 WeakPolarHBondContact O-CB 3.29Å; L126-F130 PolarHBondContact O-N 3.38Å; V128-F130 VanDerWaalsContact C-N 3.33Å; V128-F130 PolarHBondContact O-N 3.24Å; F130-A133 WeakPolarHBondContact O-CB 3.43Å; F130-A133 PolarHBondContact O-N 3.12Å; F130-Q134 HydrophobicContact CE1-CG 4.32Å; F130-Q134 WeakPolarHBondContact O-CG 3.46Å; F130-Q134 PolarHBondContact O-N 2.96Å; F130-Q134 PolarHBondContact O-NE2 3.27Å; F130-F188 AromaticContact CD2-CE1 3.79Å; F130-F188 HydrophobicContact CD2-CE1 3.79Å; F130-F188 AromaticContact CD2-CZ 3.8Å; F130-F188 HydrophobicContact CD2-CZ 3.8Å; F130-F188 HydrophobicContact CE2-CE1 4.43Å; F130-F188 HydrophobicContact CE2-CZ 4.03Å; F130-Q204 HydrophobicContact CE2-CB 4.1Å; F130-L205 HydrophobicContact CD1-CD1 4.24Å; F130-L205 HydrophobicContact CD2-CD1 4.11Å; F130-L205 HydrophobicContact CE1-CD1 4.49Å; F130-L205 HydrophobicContact CE2-CB 4.03Å; F130-L205 HydrophobicContact CE2-CD1 4.37Å; F130-L205 HydrophobicContact CG-CD1 4.04Å; F130-L205 HydrophobicContact CZ-CB 3.99Å; F130-L208 HydrophobicContact CB-CD2 3.79Å; F130-L208 HydrophobicContact CD2-CD2 3.83Å; F130-L208 HydrophobicContact CG-CD2 4.25Å |
| 131 | S | 97.5 | Very high | 97.3 | Very high | 72 Ų | 72 | 51 Ų | 51 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | -178.4 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | S127 V128 A133 Q134 | S127-S131 VanDerWaalsContact O-CB 3.3Å; S127-S131 WeakPolarHBondContact O-CB 3.28Å; S127-S131 PolarHBondContact O-N 3.45Å; S127-S131 PolarHBondContact O-OG 2.95Å; V128-S131 PolarHBondContact O-N 3Å; S131-A133 VanDerWaalsContact C-N 3.34Å; S131-A133 PolarHBondContact O-N 3.19Å; S131-Q134 WeakPolarHBondContact O-CB 3.19Å; S131-Q134 PolarHBondContact O-N 3.1Å |
| 132 | V | 97.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -37 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | V128 Q134 L135 L140 A144 | V128-V132 HydrophobicContact CG1-CG2 4.41Å; V128-V132 WeakPolarHBondContact O-CG2 3.25Å; V128-V132 PolarHBondContact O-N 3.34Å; V132-Q134 PolarHBondContact O-N 3.35Å; V132-L135 WeakPolarHBondContact O-CB 3.41Å; V132-L135 PolarHBondContact O-N 2.71Å; V132-L135 VanDerWaalsContact O-N 3.07Å; V132-L140 HydrophobicContact CG1-CB 4.17Å; V132-A144 HydrophobicContact CB-CB 4.14Å; V132-A144 HydrophobicContact CG1-CB 3.84Å; V132-A144 HydrophobicContact CG2-CB 3.88Å |
| 133 | A | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.9 | -32.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A129 F130 S131 L135 R136 F188 H192 | A129-A133 WeakPolarHBondContact O-CB 3.35Å; A129-A133 PolarHBondContact O-N 3.12Å; F130-A133 WeakPolarHBondContact O-CB 3.43Å; F130-A133 PolarHBondContact O-N 3.12Å; S131-A133 VanDerWaalsContact C-N 3.34Å; S131-A133 PolarHBondContact O-N 3.19Å; A133-L135 PolarHBondContact O-N 2.86Å; A133-L135 VanDerWaalsContact O-N 3.15Å; A133-R136 PolarHBondContact O-N 3.38Å; A133-F188 HydrophobicContact CB-CD1 4.37Å; A133-F188 HydrophobicContact CB-CE1 4.01Å; A133-H192 HydrophobicContact CB-CB 4.44Å; A133-H192 PolarHBondContact O-CD2 2.68Å; A133-H192 VanDerWaalsContact O-CD2 3.24Å |
| 134 | Q | 95.7 | Very high | 97.3 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24 | 176.8 | -58.7 | -48.3 | -65.6 | 0 | 0 | 113.2 | F130 S131 V132 R136 | F130-Q134 HydrophobicContact CE1-CG 4.32Å; F130-Q134 WeakPolarHBondContact O-CG 3.46Å; F130-Q134 PolarHBondContact O-N 2.96Å; F130-Q134 PolarHBondContact O-NE2 3.27Å; S131-Q134 WeakPolarHBondContact O-CB 3.19Å; S131-Q134 PolarHBondContact O-N 3.1Å; V132-Q134 PolarHBondContact O-N 3.35Å; Q134-R136 PolarHBondContact O-N 3.42Å |
| 135 | L | 95.6 | Very high | 97.3 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -15.8 | 176.8 | -56.9 | 177.7 | 0 | 0 | 0 | 112.7 | V132 A133 K137 L140 | V132-L135 WeakPolarHBondContact O-CB 3.41Å; V132-L135 PolarHBondContact O-N 2.71Å; V132-L135 VanDerWaalsContact O-N 3.07Å; A133-L135 PolarHBondContact O-N 2.86Å; A133-L135 VanDerWaalsContact O-N 3.15Å; L135-K137 PolarHBondContact O-N 3.08Å; L135-L140 HydrophobicContact CD1-CD1 4.04Å |
| 136 | R | 95.1 | Very high | 97.2 | Very high | 130 Ų | 130 | 52.2 Ų | 52.2 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | trans | 52.8 | 37.7 | 179.6 | -60.7 | -173.1 | 176.9 | 175.4 | 0.1 | 113.9 | A133 Q134 | A133-R136 PolarHBondContact O-N 3.38Å; Q134-R136 PolarHBondContact O-N 3.42Å | ||
| 137 | K | 96.6 | Very high | 97.2 | Very high | 124 Ų | 124 | 57.3 Ų | 57.3 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | trans | -114.2 | 104.2 | 174.9 | -62.3 | -63.8 | 179.6 | 174.1 | 0 | 109.2 | L135 P139 L140 A141 | L135-K137 PolarHBondContact O-N 3.08Å; K137-P139 VanDerWaalsContact C-CD 3.46Å; K137-P139 VanDerWaalsContact C-N 3.34Å; K137-L140 HydrophobicContact CB-CB 4.06Å; K137-L140 HydrophobicContact CB-CD1 3.86Å; K137-L140 HydrophobicContact CB-CG 3.94Å; K137-L140 HydrophobicContact CG-CD1 4.09Å; K137-L140 PolarHBondContact O-N 2.66Å; K137-L140 VanDerWaalsContact O-N 3.1Å; K137-A141 PolarHBondContact O-N 3.28Å | ||
| 138 | P | 96.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.2 | -39.3 | -179.7 | -24.8 | 31.2 | 0 | 0 | 0 | 115 | A141 W142 L190 C193 | P138-A141 PolarHBondContact O-N 3.21Å; P138-W142 PolarHBondContact O-N 3.08Å; P138-L190 HydrophobicContact CB-CD2 4.14Å; P138-C193 HydrophobicContact CG-CB 3.87Å |
| 139 | P | 96.8 | Very high | 97 | Very high | 88 Ų | 88 | 52.9 Ų | 52.9 | 57% | 0.571 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 176.5 | -24.4 | 35.6 | 0 | 0 | 0 | 113.1 | K137 W142 I143 | K137-P139 VanDerWaalsContact C-CD 3.46Å; K137-P139 VanDerWaalsContact C-N 3.34Å; P139-W142 PolarHBondContact O-N 3.07Å; P139-I143 VanDerWaalsContact O-CG1 3.3Å; P139-I143 WeakPolarHBondContact O-CG1 3.31Å; P139-I143 PolarHBondContact O-N 2.89Å |
| 140 | L | 97.3 | Very high | 96.9 | Very high | 79 Ų | 79 | 54.2 Ų | 54.2 | 41% | 0.414 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 177 | -64.7 | -178.5 | 0 | 0 | 0 | 111.2 | V132 L135 K137 W142 I143 A144 | V132-L140 HydrophobicContact CG1-CB 4.17Å; L135-L140 HydrophobicContact CD1-CD1 4.04Å; K137-L140 HydrophobicContact CB-CB 4.06Å; K137-L140 HydrophobicContact CB-CD1 3.86Å; K137-L140 HydrophobicContact CB-CG 3.94Å; K137-L140 HydrophobicContact CG-CD1 4.09Å; K137-L140 PolarHBondContact O-N 2.66Å; K137-L140 VanDerWaalsContact O-N 3.1Å; L140-W142 VanDerWaalsContact C-N 3.34Å; L140-W142 PolarHBondContact O-N 2.88Å; L140-I143 PolarHBondContact O-N 3.33Å; L140-A144 WeakPolarHBondContact O-CB 3.37Å; L140-A144 PolarHBondContact O-N 2.9Å |
| 141 | A | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K137 P138 N145 | K137-A141 PolarHBondContact O-N 3.28Å; P138-A141 PolarHBondContact O-N 3.21Å; A141-N145 WeakPolarHBondContact O-CB 3.39Å; A141-N145 PolarHBondContact O-N 2.99Å; A141-N145 PolarHBondContact O-ND2 3.47Å |
| 142 | W | 97.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 175.2 | -94.8 | 117.7 | 0 | 0 | 0 | 112.3 | P138 P139 L140 A144 N145 L146 I186 L190 W351 Y355 I356 F380 | P138-W142 PolarHBondContact O-N 3.08Å; P139-W142 PolarHBondContact O-N 3.07Å; L140-W142 VanDerWaalsContact C-N 3.34Å; L140-W142 PolarHBondContact O-N 2.88Å; W142-A144 PolarHBondContact O-N 3.44Å; W142-N145 PolarHBondContact O-N 2.82Å; W142-L146 HydrophobicContact CE3-CD1 4.16Å; W142-L146 HydrophobicContact CE3-CD2 4.24Å; W142-L146 HydrophobicContact CE3-CG 3.98Å; W142-L146 HydrophobicContact CZ3-CD2 4.19Å; W142-L146 HydrophobicContact CZ3-CG 4.43Å; W142-L146 WeakPolarHBondContact O-CB 3.29Å; W142-L146 VanDerWaalsContact O-CG 3.27Å; W142-L146 WeakPolarHBondContact O-CG 3.47Å; W142-L146 PolarHBondContact O-N 3.45Å; W142-I186 HydrophobicContact CE3-CG2 4.4Å; W142-I186 HydrophobicContact CH2-CD1 4.34Å; W142-I186 HydrophobicContact CH2-CG2 3.66Å; W142-I186 HydrophobicContact CZ2-CG2 3.93Å; W142-I186 HydrophobicContact CZ3-CD1 3.79Å; W142-I186 HydrophobicContact CZ3-CG1 4.24Å; W142-I186 HydrophobicContact CZ3-CG2 3.91Å; W142-L190 HydrophobicContact CZ2-CD1 3.77Å; W142-W351 AromaticContact CH2-CH2 3.9Å; W142-W351 HydrophobicContact CH2-CH2 3.9Å; W142-Y355 WeakPolarHBondContact CZ2-O 3.33Å; W142-I356 HydrophobicContact CH2-CD1 4.13Å; W142-I356 HydrophobicContact CH2-CG1 3.79Å; W142-I356 HydrophobicContact CZ2-CG1 3.89Å; W142-F380 HydrophobicContact CH2-CE2 4.48Å; W142-F380 HydrophobicContact CZ3-CD2 4.34Å; W142-F380 HydrophobicContact CZ3-CE2 4.06Å |
| 143 | I | 97.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 52.4 Ų | 52.4 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.5 | -50.1 | -179.8 | -69 | 164 | 0 | 0 | 0 | 110.3 | P139 L140 N145 L146 L147 | P139-I143 VanDerWaalsContact O-CG1 3.3Å; P139-I143 WeakPolarHBondContact O-CG1 3.31Å; P139-I143 PolarHBondContact O-N 2.89Å; L140-I143 PolarHBondContact O-N 3.33Å; I143-N145 PolarHBondContact O-N 3.26Å; I143-L146 PolarHBondContact O-N 3.11Å; I143-L147 HydrophobicContact CG2-CD1 3.98Å; I143-L147 VanDerWaalsContact O-CG 3.3Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.44Å |
| 144 | A | 98.1 | Very high | 96 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V132 L140 W142 L146 L147 L148 | V132-A144 HydrophobicContact CB-CB 4.14Å; V132-A144 HydrophobicContact CG1-CB 3.84Å; V132-A144 HydrophobicContact CG2-CB 3.88Å; L140-A144 WeakPolarHBondContact O-CB 3.37Å; L140-A144 PolarHBondContact O-N 2.9Å; W142-A144 PolarHBondContact O-N 3.44Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.02Å; A144-L147 PolarHBondContact O-N 2.77Å; A144-L148 VanDerWaalsContact O-CG 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.32Å; A144-L148 PolarHBondContact O-N 3.35Å |
| 145 | N | 98 | Very high | 95.8 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -32.7 | -179 | -77.8 | -68.9 | 0 | 0 | 0 | 113.3 | A141 W142 I143 L148 L149 F185 I186 S189 | A141-N145 WeakPolarHBondContact O-CB 3.39Å; A141-N145 PolarHBondContact O-N 2.99Å; A141-N145 PolarHBondContact O-ND2 3.47Å; W142-N145 PolarHBondContact O-N 2.82Å; I143-N145 PolarHBondContact O-N 3.26Å; N145-L148 PolarHBondContact O-N 3.48Å; N145-L149 WeakPolarHBondContact O-CB 3.41Å; N145-L149 PolarHBondContact O-N 2.7Å; N145-F185 WeakPolarHBondContact OD1-CB 3.5Å; N145-I186 HydrophobicContact CB-CD1 4.33Å; N145-I186 HydrophobicContact CB-CG1 3.43Å; N145-I186 VanDerWaalsContact CB-CG1 3.43Å; N145-S189 PolarHBondContact ND2-OG 3.12Å; N145-S189 VanDerWaalsContact ND2-OG 3.11Å |
| 146 | L | 97.4 | Very high | 95.8 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 173.4 | -72 | 173.7 | 0 | 0 | 0 | 111.7 | W142 I143 A144 L149 S150 F380 F383 | W142-L146 HydrophobicContact CE3-CD1 4.16Å; W142-L146 HydrophobicContact CE3-CD2 4.24Å; W142-L146 HydrophobicContact CE3-CG 3.98Å; W142-L146 HydrophobicContact CZ3-CD2 4.19Å; W142-L146 HydrophobicContact CZ3-CG 4.43Å; W142-L146 WeakPolarHBondContact O-CB 3.29Å; W142-L146 VanDerWaalsContact O-CG 3.27Å; W142-L146 WeakPolarHBondContact O-CG 3.47Å; W142-L146 PolarHBondContact O-N 3.45Å; I143-L146 PolarHBondContact O-N 3.11Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.02Å; L146-L149 PolarHBondContact O-N 2.77Å; L146-S150 WeakPolarHBondContact O-CB 3.34Å; L146-S150 PolarHBondContact O-N 3.4Å; L146-F380 HydrophobicContact CD2-CD2 4.15Å; L146-F380 HydrophobicContact CD2-CE2 3.99Å; L146-F383 HydrophobicContact CD2-CE1 4.24Å |
| 147 | L | 96.9 | Very high | 95.7 | Very high | 112 Ų | 112 | 55.2 Ų | 55.2 | 59% | 0.586 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 172.8 | -70.2 | 171.4 | 0 | 0 | 0 | 111.2 | I143 A144 L149 S150 T151 | I143-L147 HydrophobicContact CG2-CD1 3.98Å; I143-L147 VanDerWaalsContact O-CG 3.3Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.44Å; A144-L147 PolarHBondContact O-N 2.77Å; L147-L149 PolarHBondContact O-N 2.7Å; L147-S150 PolarHBondContact O-N 3.2Å; L147-S150 PolarHBondContact O-OG 3.38Å; L147-T151 PolarHBondContact O-N 3.37Å |
| 148 | L | 96.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.5 | -65.4 | 178 | 0 | 0 | 0 | 111.2 | Q125 V128 A129 A144 N145 S150 T151 | Q125-L148 HydrophobicContact CB-CD1 4.26Å; Q125-L148 HydrophobicContact CB-CD2 4.44Å; Q125-L148 HydrophobicContact CG-CD2 4.15Å; Q125-L148 WeakPolarHBondContact O-CD1 3.46Å; V128-L148 HydrophobicContact CB-CD1 4.18Å; V128-L148 HydrophobicContact CB-CD2 4.21Å; V128-L148 HydrophobicContact CG1-CD1 4.1Å; V128-L148 HydrophobicContact CG1-CD2 4.07Å; V128-L148 HydrophobicContact CG1-CG 4.41Å; A129-L148 HydrophobicContact CB-CD1 4.14Å; A144-L148 VanDerWaalsContact O-CG 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.32Å; A144-L148 PolarHBondContact O-N 3.35Å; N145-L148 PolarHBondContact O-N 3.48Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 2.72Å; L148-T151 VanDerWaalsContact O-CB 3.3Å; L148-T151 WeakPolarHBondContact O-CB 3.34Å; L148-T151 VanDerWaalsContact O-CG2 3.23Å; L148-T151 WeakPolarHBondContact O-CG2 3.42Å; L148-T151 PolarHBondContact O-N 3.21Å; L148-T151 PolarHBondContact O-OG1 3.5Å |
| 149 | L | 95.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 176.7 | -175.2 | 60.4 | 0 | 0 | 0 | 111.6 | N145 L146 L147 T151 I152 F380 F383 | N145-L149 WeakPolarHBondContact O-CB 3.41Å; N145-L149 PolarHBondContact O-N 2.7Å; L146-L149 PolarHBondContact O-N 2.77Å; L147-L149 PolarHBondContact O-N 2.7Å; L149-T151 PolarHBondContact O-N 2.66Å; L149-T151 VanDerWaalsContact O-N 3.08Å; L149-I152 HydrophobicContact CD1-CD1 3.9Å; L149-I152 HydrophobicContact CG-CD1 4.44Å; L149-I152 VanDerWaalsContact O-CG1 3.23Å; L149-I152 WeakPolarHBondContact O-CG1 3.3Å; L149-I152 PolarHBondContact O-N 3Å; L149-F380 HydrophobicContact CD2-CE2 4.13Å; L149-F380 HydrophobicContact CD2-CZ 4.17Å; L149-F383 HydrophobicContact CB-CE1 4.26Å; L149-F383 HydrophobicContact CD2-CD1 4.07Å; L149-F383 HydrophobicContact CD2-CE1 3.76Å; L149-F383 HydrophobicContact CG-CE1 3.92Å |
| 150 | S | 95.1 | Very high | 95.4 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -18.7 | 179 | 78.9 | 0 | 0 | 0 | 0 | 113.9 | L146 L147 L148 I152 H153 | L146-S150 WeakPolarHBondContact O-CB 3.34Å; L146-S150 PolarHBondContact O-N 3.4Å; L147-S150 PolarHBondContact O-N 3.2Å; L147-S150 PolarHBondContact O-OG 3.38Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 2.72Å; S150-I152 PolarHBondContact O-N 2.85Å; S150-I152 VanDerWaalsContact O-N 3.11Å; S150-H153 PolarHBondContact O-N 3.29Å |
| 151 | T | 94.2 | Very high | 95.3 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 15% | 0.153 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -54.4 | -30.9 | 175.5 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | Q125 L147 L148 L149 H153 I154 L157 | Q125-T151 PolarHBondContact NE2-OG1 3.26Å; L147-T151 PolarHBondContact O-N 3.37Å; L148-T151 VanDerWaalsContact O-CB 3.3Å; L148-T151 WeakPolarHBondContact O-CB 3.34Å; L148-T151 VanDerWaalsContact O-CG2 3.23Å; L148-T151 WeakPolarHBondContact O-CG2 3.42Å; L148-T151 PolarHBondContact O-N 3.21Å; L148-T151 PolarHBondContact O-OG1 3.5Å; L149-T151 PolarHBondContact O-N 2.66Å; L149-T151 VanDerWaalsContact O-N 3.08Å; T151-H153 PolarHBondContact O-N 3.08Å; T151-I154 PolarHBondContact O-N 2.93Å; T151-L157 HydrophobicContact CG2-CD2 3.96Å |
| 152 | I | 92.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -67.9 | -12.5 | 177.5 | 78.5 | -173.1 | 0 | 0 | 0 | 113.4 | L149 S150 Q158 L175 V178 | L149-I152 HydrophobicContact CD1-CD1 3.9Å; L149-I152 HydrophobicContact CG-CD1 4.44Å; L149-I152 VanDerWaalsContact O-CG1 3.23Å; L149-I152 WeakPolarHBondContact O-CG1 3.3Å; L149-I152 PolarHBondContact O-N 3Å; S150-I152 PolarHBondContact O-N 2.85Å; S150-I152 VanDerWaalsContact O-N 3.11Å; I152-Q158 PolarHBondContact O-NE2 2.73Å; I152-L175 HydrophobicContact CB-CD1 3.61Å; I152-L175 HydrophobicContact CG2-CD1 3.93Å; I152-V178 HydrophobicContact CG2-CB 4.06Å; I152-V178 HydrophobicContact CG2-CG1 3.42Å; I152-V178 VanDerWaalsContact CG2-CG1 3.42Å |
| 153 | H | 91.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 26% | 0.255 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -110.1 | -8.8 | -177.8 | -56.3 | -52.1 | 0 | 0 | 0 | 113.3 | S150 T151 Q155 F383 G386 | S150-H153 PolarHBondContact O-N 3.29Å; T151-H153 PolarHBondContact O-N 3.08Å; H153-Q155 PolarHBondContact O-N 3.39Å; H153-F383 AromaticContact CD2-CE2 3.5Å; H153-F383 VanDerWaalsContact CD2-CE2 3.5Å; H153-F383 WeakPolarHBondContact CD2-CE2 3.11Å; H153-F383 AromaticContact CD2-CZ 3.88Å; H153-F383 PolarHBondContact CE1-O 2.88Å; H153-F383 VanDerWaalsContact CE1-O 3.27Å; H153-F383 AromaticContact NE2-CD2 3.96Å; H153-F383 AromaticContact NE2-CE2 3.79Å; H153-F383 PolarHBondContact NE2-O 2.7Å; H153-G386 VanDerWaalsContact CE1-CA 3.44Å; H153-G386 WeakPolarHBondContact CE1-CA 3.02Å |
| 154 | I | 93 | Very high | 95.1 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | trans | -80.9 | 107.1 | -176 | -64.8 | 173.5 | 0 | 0 | 0 | 109.5 | T151 P156 L157 Q158 | T151-I154 PolarHBondContact O-N 2.93Å; I154-P156 HydrophobicContact CG2-CG 4.48Å; I154-L157 HydrophobicContact CB-CB 4.15Å; I154-L157 HydrophobicContact CG2-CB 4.03Å; I154-L157 WeakPolarHBondContact O-CB 3.47Å; I154-L157 PolarHBondContact O-N 3.16Å; I154-Q158 WeakPolarHBondContact O-CG 3.22Å; I154-Q158 PolarHBondContact O-N 2.85Å | ||
| 155 | Q | 92.6 | Very high | 95.1 | Very high | 130 Ų | 130 | 59.7 Ų | 59.7 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -51.4 | -47.2 | -175.1 | -69.1 | -61.8 | -47.3 | 0 | 0 | 114.6 | H153 L157 Q158 H159 | H153-Q155 PolarHBondContact O-N 3.39Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 3.29Å; Q155-Q158 PolarHBondContact O-N 3.41Å; Q155-H159 PolarHBondContact O-N 2.92Å |
| 156 | P | 94.8 | Very high | 94.8 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.7 | -38.6 | 175.8 | -26.5 | 34.3 | 0 | 0 | 0 | 113.6 | I154 H159 I160 | I154-P156 HydrophobicContact CG2-CG 4.48Å; P156-H159 PolarHBondContact O-N 3.46Å; P156-I160 VanDerWaalsContact O-CG1 3.29Å; P156-I160 WeakPolarHBondContact O-CG1 3.32Å; P156-I160 PolarHBondContact O-N 3.46Å; P156-I160 VanDerWaalsContact O-N 3.08Å |
| 157 | L | 93.3 | Very high | 94.6 | Very high | 47 Ų | 47 | 65.3 Ų | 65.3 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.1 | -41.3 | -179.4 | -176 | 59.3 | 0 | 0 | 0 | 111.2 | T151 I154 Q155 H159 I160 Q161 | T151-L157 HydrophobicContact CG2-CD2 3.96Å; I154-L157 HydrophobicContact CB-CB 4.15Å; I154-L157 HydrophobicContact CG2-CB 4.03Å; I154-L157 WeakPolarHBondContact O-CB 3.47Å; I154-L157 PolarHBondContact O-N 3.16Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 3.29Å; L157-H159 VanDerWaalsContact C-N 3.29Å; L157-H159 PolarHBondContact O-N 3.35Å; L157-I160 PolarHBondContact O-N 3.13Å; L157-Q161 HydrophobicContact CD1-CG 4.12Å; L157-Q161 HydrophobicContact CG-CG 4.3Å; L157-Q161 WeakPolarHBondContact O-CB 3.35Å; L157-Q161 VanDerWaalsContact O-CG 3.26Å; L157-Q161 WeakPolarHBondContact O-CG 3.45Å; L157-Q161 PolarHBondContact O-N 3.49Å |
| 158 | Q | 93.7 | Very high | 94.4 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.9 | -45.5 | 171.8 | -67.8 | -175.6 | -18.7 | 0 | 0 | 110.9 | I152 I154 Q155 Q161 R162 Y171 | I152-Q158 PolarHBondContact O-NE2 2.73Å; I154-Q158 WeakPolarHBondContact O-CG 3.22Å; I154-Q158 PolarHBondContact O-N 2.85Å; Q155-Q158 PolarHBondContact O-N 3.41Å; Q158-Q161 PolarHBondContact O-N 3.15Å; Q158-R162 WeakPolarHBondContact O-CB 3.47Å; Q158-R162 PolarHBondContact O-N 3.46Å; Q158-Y171 WeakPolarHBondContact CB-OH 3.36Å; Q158-Y171 VanDerWaalsContact CG-OH 3.3Å; Q158-Y171 WeakPolarHBondContact CG-OH 3.16Å |
| 159 | H | 94.6 | Very high | 94.2 | Very high | 148 Ų | 148 | 66 Ų | 66 | 69% | 0.685 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 178.7 | -175.4 | 68.8 | 0 | 0 | 0 | 112.4 | Q155 P156 L157 G163 | Q155-H159 PolarHBondContact O-N 2.92Å; P156-H159 PolarHBondContact O-N 3.46Å; L157-H159 VanDerWaalsContact C-N 3.29Å; L157-H159 PolarHBondContact O-N 3.35Å; H159-G163 PolarHBondContact O-N 3.08Å |
| 160 | I | 95.5 | Very high | 94.1 | Very high | 92 Ų | 92 | 68 Ų | 68 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 176.7 | -68.6 | 164.5 | 0 | 0 | 0 | 111 | P156 L157 G163 W164 | P156-I160 VanDerWaalsContact O-CG1 3.29Å; P156-I160 WeakPolarHBondContact O-CG1 3.32Å; P156-I160 PolarHBondContact O-N 3.46Å; P156-I160 VanDerWaalsContact O-N 3.08Å; L157-I160 PolarHBondContact O-N 3.13Å; I160-G163 PolarHBondContact O-N 2.85Å; I160-W164 HydrophobicContact CG2-CZ2 3.9Å; I160-W164 PolarHBondContact O-NE1 3.29Å |
| 161 | Q | 95.7 | Very high | 94.1 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 3% | 0.033 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | -178.2 | -72.7 | 175.6 | -17.1 | 0 | 0 | 111.8 | L157 Q158 G163 W164 Y165 Y171 L174 | L157-Q161 HydrophobicContact CD1-CG 4.12Å; L157-Q161 HydrophobicContact CG-CG 4.3Å; L157-Q161 WeakPolarHBondContact O-CB 3.35Å; L157-Q161 VanDerWaalsContact O-CG 3.26Å; L157-Q161 WeakPolarHBondContact O-CG 3.45Å; L157-Q161 PolarHBondContact O-N 3.49Å; Q158-Q161 PolarHBondContact O-N 3.15Å; Q161-G163 VanDerWaalsContact C-N 3.29Å; Q161-G163 PolarHBondContact O-N 3.45Å; Q161-W164 HydrophobicContact CB-CE3 4.27Å; Q161-W164 HydrophobicContact CB-CZ3 4.29Å; Q161-W164 HydrophobicContact CG-CE3 4.19Å; Q161-W164 HydrophobicContact CG-CH2 3.76Å; Q161-W164 HydrophobicContact CG-CZ2 4.27Å; Q161-W164 HydrophobicContact CG-CZ3 3.71Å; Q161-W164 VanDerWaalsContact O-CB 3.3Å; Q161-W164 WeakPolarHBondContact O-CB 3.26Å; Q161-W164 PolarHBondContact O-N 3.17Å; Q161-W164 VanDerWaalsContact O-N 3.1Å; Q161-Y165 VanDerWaalsContact O-CD2 3.29Å; Q161-Y165 WeakPolarHBondContact O-CD2 3.48Å; Q161-Y171 HydrophobicContact CB-CD2 4.18Å; Q161-Y171 HydrophobicContact CB-CE2 3.82Å; Q161-L174 HydrophobicContact CB-CD2 4.28Å; Q161-L174 HydrophobicContact CG-CD2 4.38Å |
| 162 | R | 95.5 | Very high | 94.2 | Very high | 121 Ų | 121 | 69.8 Ų | 69.8 | 46% | 0.457 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 175.2 | -173.1 | 174.1 | 178.5 | 175.4 | 1.9 | 111.3 | Q158 W164 Y165 E168 Y171 | Q158-R162 WeakPolarHBondContact O-CB 3.47Å; Q158-R162 PolarHBondContact O-N 3.46Å; R162-W164 PolarHBondContact O-N 3.25Å; R162-W164 VanDerWaalsContact O-N 3.14Å; R162-Y165 PolarHBondContact O-N 3.15Å; R162-E168 VanDerWaalsContact CZ-CD 3.43Å; R162-E168 IonicContact CZ-OE1 3.05Å; R162-E168 IonicContact CZ-OE2 3.91Å; R162-E168 IonicContact NE-OE1 3.33Å; R162-E168 PolarHBondContact NE-OE1 3.3Å; R162-E168 IonicContact NE-OE2 3.93Å; R162-E168 PolarHBondContact NE-OE2 3.43Å; R162-E168 IonicContact NH2-OE1 3.93Å; R162-E168 PolarHBondContact NH2-OE1 2.96Å; R162-E168 IonicContact NH2-OE2 2.86Å; R162-E168 PolarHBondContact NH2-OE2 3.03Å; R162-Y171 HydrophobicContact CB-CD1 4.32Å; R162-Y171 HydrophobicContact CB-CD2 4Å; R162-Y171 HydrophobicContact CB-CE2 4.21Å; R162-Y171 HydrophobicContact CB-CG 4.06Å; R162-Y171 HydrophobicContact CG-CD1 4.23Å; R162-Y171 HydrophobicContact CG-CG 4.21Å |
| 163 | G | 95.7 | Very high | 94.3 | Very high | 65 Ų | 65 | 69.3 Ų | 69.3 | 67% | 0.67 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -6.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H159 I160 Q161 | H159-G163 PolarHBondContact O-N 3.08Å; I160-G163 PolarHBondContact O-N 2.85Å; Q161-G163 VanDerWaalsContact C-N 3.29Å; Q161-G163 PolarHBondContact O-N 3.45Å |
| 164 | W | 96.4 | Very high | 94.5 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 30% | 0.303 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -20.2 | 173.6 | -61.6 | -13.8 | 0 | 0 | 0 | 113.7 | K117 V121 I160 Q161 R162 L174 | K117-W164 HydrophobicContact CB-CD2 3.89Å; K117-W164 HydrophobicContact CB-CE3 3.62Å; K117-W164 HydrophobicContact CB-CG 4.38Å; K117-W164 HydrophobicContact CB-CZ3 4.01Å; K117-W164 HydrophobicContact CD-CB 3.89Å; K117-W164 HydrophobicContact CD-CD2 3.71Å; K117-W164 HydrophobicContact CD-CE3 4.33Å; K117-W164 HydrophobicContact CD-CG 3.48Å; K117-W164 VanDerWaalsContact CD-CG 3.48Å; K117-W164 HydrophobicContact CG-CD2 4.42Å; V121-W164 HydrophobicContact CG2-CH2 3.6Å; V121-W164 HydrophobicContact CG2-CZ3 3.58Å; I160-W164 HydrophobicContact CG2-CZ2 3.9Å; I160-W164 PolarHBondContact O-NE1 3.29Å; Q161-W164 HydrophobicContact CB-CE3 4.27Å; Q161-W164 HydrophobicContact CB-CZ3 4.29Å; Q161-W164 HydrophobicContact CG-CE3 4.19Å; Q161-W164 HydrophobicContact CG-CH2 3.76Å; Q161-W164 HydrophobicContact CG-CZ2 4.27Å; Q161-W164 HydrophobicContact CG-CZ3 3.71Å; Q161-W164 VanDerWaalsContact O-CB 3.3Å; Q161-W164 WeakPolarHBondContact O-CB 3.26Å; Q161-W164 PolarHBondContact O-N 3.17Å; Q161-W164 VanDerWaalsContact O-N 3.1Å; R162-W164 PolarHBondContact O-N 3.25Å; R162-W164 VanDerWaalsContact O-N 3.14Å; W164-L174 HydrophobicContact CE3-CD2 4.47Å; W164-L174 HydrophobicContact CZ3-CD2 4.33Å |
| 165 | Y | 96.7 | Very high | 94.6 | Very high | 36 Ų | 36 | 65.1 Ų | 65.1 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | trans | -111.8 | 153.1 | -171.6 | -61.8 | -72.1 | 0 | 0 | 0 | 111.1 | L114 G118 Q161 R162 E170 Y171 L174 | L114-Y165 WeakPolarHBondContact O-CE1 3.25Å; L114-Y165 PolarHBondContact O-OH 3.22Å; L114-Y165 VanDerWaalsContact O-OH 3.07Å; G118-Y165 WeakPolarHBondContact CA-OH 3.14Å; Q161-Y165 VanDerWaalsContact O-CD2 3.29Å; Q161-Y165 WeakPolarHBondContact O-CD2 3.48Å; R162-Y165 PolarHBondContact O-N 3.15Å; Y165-E170 HydrophobicContact CD1-CB 3.51Å; Y165-E170 HydrophobicContact CD1-CG 4.47Å; Y165-E170 HydrophobicContact CE1-CB 4.24Å; Y165-E170 HydrophobicContact CG-CB 3.75Å; Y165-Y171 HydrophobicContact CD2-CD2 4.44Å; Y165-L174 HydrophobicContact CE2-CB 4.09Å; Y165-L174 HydrophobicContact CE2-CD2 3.78Å | ||
| 166 | S | 93.1 | Very high | 94.8 | Very high | 123 Ų | 123 | 61.8 Ų | 61.8 | 86% | 0.86 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -83.1 | -24.7 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | E170 | S166-E170 PolarHBondContact N-OE2 3.39Š|
| 167 | T | 93.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 36% | 0.362 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -126.9 | 151.2 | -177.4 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | E169 E170 Y171 | T167-E169 PolarHBondContact O-N 2.86Å; T167-E170 PolarHBondContact N-OE2 2.82Å; T167-E170 PolarHBondContact O-N 3.46Å; T167-E170 VanDerWaalsContact OG1-CG 3.23Å; T167-E170 WeakPolarHBondContact OG1-CG 3.22Å; T167-E170 PolarHBondContact OG1-N 3.01Å; T167-E170 PolarHBondContact OG1-OE2 3.39Å; T167-Y171 PolarHBondContact O-N 3.07Å |
| 168 | E | 92.4 | Very high | 95 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -34.2 | 172.7 | -67.2 | -58.6 | 136.8 | 0 | 0 | 112.3 | R162 E170 Y171 Y172 | R162-E168 VanDerWaalsContact CZ-CD 3.43Å; R162-E168 IonicContact CZ-OE1 3.05Å; R162-E168 IonicContact CZ-OE2 3.91Å; R162-E168 IonicContact NE-OE1 3.33Å; R162-E168 PolarHBondContact NE-OE1 3.3Å; R162-E168 IonicContact NE-OE2 3.93Å; R162-E168 PolarHBondContact NE-OE2 3.43Å; R162-E168 IonicContact NH2-OE1 3.93Å; R162-E168 PolarHBondContact NH2-OE1 2.96Å; R162-E168 IonicContact NH2-OE2 2.86Å; R162-E168 PolarHBondContact NH2-OE2 3.03Å; E168-E170 VanDerWaalsContact C-N 3.34Å; E168-E170 PolarHBondContact O-N 3.01Å; E168-Y171 PolarHBondContact O-N 3.34Å; E168-Y172 HydrophobicContact CB-CD2 4.23Å; E168-Y172 HydrophobicContact CB-CE2 3.95Å; E168-Y172 WeakPolarHBondContact O-CD2 3.4Å; E168-Y172 PolarHBondContact O-N 3.46Å |
| 169 | E | 91.9 | Very high | 95.1 | Very high | 81 Ų | 81 | 54 Ų | 54 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | -178.1 | -63.3 | 178.5 | 178.2 | 0 | 0 | 112.3 | F67 T167 Y172 L173 | F67-E169 HydrophobicContact CD2-CB 4.37Å; F67-E169 HydrophobicContact CD2-CG 4.4Å; F67-E169 HydrophobicContact CE2-CB 4.09Å; F67-E169 VanDerWaalsContact CE2-O 3.31Å; F67-E169 WeakPolarHBondContact CE2-O 3.28Å; T167-E169 PolarHBondContact O-N 2.86Å; E169-Y172 PolarHBondContact O-N 2.97Å; E169-L173 PolarHBondContact O-N 3.47Å |
| 170 | E | 94.5 | Very high | 95.2 | Very high | 44 Ų | 44 | 47.6 Ų | 47.6 | 21% | 0.206 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 175.8 | -71.1 | 164.6 | 159.1 | 0 | 0 | 111.8 | W71 K74 Y165 S166 T167 E168 L173 L174 | W71-E170 HydrophobicContact CH2-CG 4.09Å; W71-E170 HydrophobicContact CZ2-CG 3.95Å; K74-E170 IonicContact NZ-OE1 3.47Å; Y165-E170 HydrophobicContact CD1-CB 3.51Å; Y165-E170 HydrophobicContact CD1-CG 4.47Å; Y165-E170 HydrophobicContact CE1-CB 4.24Å; Y165-E170 HydrophobicContact CG-CB 3.75Å; S166-E170 PolarHBondContact N-OE2 3.39Å; T167-E170 PolarHBondContact N-OE2 2.82Å; T167-E170 PolarHBondContact O-N 3.46Å; T167-E170 VanDerWaalsContact OG1-CG 3.23Å; T167-E170 WeakPolarHBondContact OG1-CG 3.22Å; T167-E170 PolarHBondContact OG1-N 3.01Å; T167-E170 PolarHBondContact OG1-OE2 3.39Å; E168-E170 VanDerWaalsContact C-N 3.34Å; E168-E170 PolarHBondContact O-N 3.01Å; E170-L173 PolarHBondContact O-N 2.88Å; E170-L174 PolarHBondContact O-N 3.04Å; E170-L174 VanDerWaalsContact O-N 3.16Å |
| 171 | Y | 95.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 173 | 169.6 | -110 | 0 | 0 | 0 | 112 | Q158 Q161 R162 Y165 T167 E168 L173 L174 L175 | Q158-Y171 WeakPolarHBondContact CB-OH 3.36Å; Q158-Y171 VanDerWaalsContact CG-OH 3.3Å; Q158-Y171 WeakPolarHBondContact CG-OH 3.16Å; Q161-Y171 HydrophobicContact CB-CD2 4.18Å; Q161-Y171 HydrophobicContact CB-CE2 3.82Å; R162-Y171 HydrophobicContact CB-CD1 4.32Å; R162-Y171 HydrophobicContact CB-CD2 4Å; R162-Y171 HydrophobicContact CB-CE2 4.21Å; R162-Y171 HydrophobicContact CB-CG 4.06Å; R162-Y171 HydrophobicContact CG-CD1 4.23Å; R162-Y171 HydrophobicContact CG-CG 4.21Å; Y165-Y171 HydrophobicContact CD2-CD2 4.44Å; T167-Y171 PolarHBondContact O-N 3.07Å; E168-Y171 PolarHBondContact O-N 3.34Å; Y171-L173 VanDerWaalsContact C-N 3.3Å; Y171-L173 PolarHBondContact O-N 3.34Å; Y171-L174 WeakPolarHBondContact O-CB 3.33Å; Y171-L174 PolarHBondContact O-N 3.43Å; Y171-L174 VanDerWaalsContact O-N 3.17Å; Y171-L175 PolarHBondContact O-N 3.39Å |
| 172 | Y | 95.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 43 Ų | 43 | 31% | 0.306 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.5 | -34.7 | 176 | -71.2 | -48.5 | 0 | 0 | 0 | 112.4 | F63 E168 E169 L174 L175 F176 | F63-Y172 AromaticContact CE2-CD2 3.98Å; F63-Y172 HydrophobicContact CE2-CD2 3.98Å; F63-Y172 HydrophobicContact CE2-CE2 4.05Å; F63-Y172 AromaticContact CZ-CD2 3.66Å; F63-Y172 HydrophobicContact CZ-CD2 3.66Å; F63-Y172 HydrophobicContact CZ-CE2 4.01Å; F63-Y172 HydrophobicContact CZ-CG 4.05Å; E168-Y172 HydrophobicContact CB-CD2 4.23Å; E168-Y172 HydrophobicContact CB-CE2 3.95Å; E168-Y172 WeakPolarHBondContact O-CD2 3.4Å; E168-Y172 PolarHBondContact O-N 3.46Å; E169-Y172 PolarHBondContact O-N 2.97Å; Y172-L174 VanDerWaalsContact C-N 3.31Å; Y172-L174 PolarHBondContact O-N 3.02Å; Y172-L175 HydrophobicContact CD1-CD2 4.16Å; Y172-L175 WeakPolarHBondContact O-CB 3.44Å; Y172-L175 PolarHBondContact O-N 2.83Å; Y172-L175 VanDerWaalsContact O-N 3.12Å; Y172-F176 WeakPolarHBondContact O-CD2 2.98Å; Y172-F176 PolarHBondContact O-N 3.08Å |
| 173 | L | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 173.3 | -169.3 | 68.8 | 0 | 0 | 0 | 111.4 | F67 W68 W71 L113 L114 E169 E170 Y171 S177 Y219 | F67-L173 HydrophobicContact CE1-CD1 4.43Å; F67-L173 HydrophobicContact CZ-CB 4.13Å; F67-L173 HydrophobicContact CZ-CD1 4.18Å; W68-L173 HydrophobicContact CH2-CD1 4.34Å; W68-L173 HydrophobicContact CZ3-CD1 4.05Å; W71-L173 HydrophobicContact CD2-CD1 4.48Å; W71-L173 HydrophobicContact CD2-CD2 4.08Å; W71-L173 HydrophobicContact CE3-CD2 3.98Å; W71-L173 HydrophobicContact CH2-CD2 3.51Å; W71-L173 HydrophobicContact CZ2-CB 4.03Å; W71-L173 HydrophobicContact CZ2-CD2 3.62Å; W71-L173 HydrophobicContact CZ2-CG 4.36Å; W71-L173 HydrophobicContact CZ3-CD2 3.7Å; L113-L173 HydrophobicContact CB-CD2 4.25Å; L114-L173 HydrophobicContact CD2-CB 4.29Å; L114-L173 HydrophobicContact CD2-CD2 4.01Å; L114-L173 HydrophobicContact CD2-CG 3.89Å; E169-L173 PolarHBondContact O-N 3.47Å; E170-L173 PolarHBondContact O-N 2.88Å; Y171-L173 VanDerWaalsContact C-N 3.3Å; Y171-L173 PolarHBondContact O-N 3.34Å; L173-S177 WeakPolarHBondContact O-CB 3.35Å; L173-S177 PolarHBondContact O-N 3.18Å; L173-S177 PolarHBondContact O-OG 3Å; L173-Y219 HydrophobicContact CD1-CD1 3.4Å; L173-Y219 HydrophobicContact CD1-CE1 3.73Å; L173-Y219 HydrophobicContact CD1-CG 4.01Å; L173-Y219 HydrophobicContact CD2-CD1 4.43Å; L173-Y219 HydrophobicContact CD2-CE1 3.89Å; L173-Y219 HydrophobicContact CG-CD1 3.83Å; L173-Y219 HydrophobicContact CG-CE1 3.67Å |
| 174 | L | 96.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 171.4 | 175.4 | 64.8 | 0 | 0 | 0 | 111.2 | L114 Q161 W164 Y165 E170 Y171 Y172 F176 S177 V178 | L114-L174 HydrophobicContact CD2-CB 4.28Å; Q161-L174 HydrophobicContact CB-CD2 4.28Å; Q161-L174 HydrophobicContact CG-CD2 4.38Å; W164-L174 HydrophobicContact CE3-CD2 4.47Å; W164-L174 HydrophobicContact CZ3-CD2 4.33Å; Y165-L174 HydrophobicContact CE2-CB 4.09Å; Y165-L174 HydrophobicContact CE2-CD2 3.78Å; E170-L174 PolarHBondContact O-N 3.04Å; E170-L174 VanDerWaalsContact O-N 3.16Å; Y171-L174 WeakPolarHBondContact O-CB 3.33Å; Y171-L174 PolarHBondContact O-N 3.43Å; Y171-L174 VanDerWaalsContact O-N 3.17Å; Y172-L174 VanDerWaalsContact C-N 3.31Å; Y172-L174 PolarHBondContact O-N 3.02Å; L174-F176 PolarHBondContact O-N 3.08Å; L174-S177 WeakPolarHBondContact O-CB 3.33Å; L174-S177 PolarHBondContact O-N 2.9Å; L174-S177 VanDerWaalsContact O-N 3.17Å; L174-V178 HydrophobicContact CD1-CG2 3.99Å; L174-V178 HydrophobicContact CG-CG2 4.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.33Å; L174-V178 PolarHBondContact O-N 3.21Å |
| 175 | L | 95.2 | Very high | 95.7 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | -179 | -169 | 66.8 | 0 | 0 | 0 | 112.1 | I152 Y171 Y172 S177 V178 A179 | I152-L175 HydrophobicContact CB-CD1 3.61Å; I152-L175 HydrophobicContact CG2-CD1 3.93Å; Y171-L175 PolarHBondContact O-N 3.39Å; Y172-L175 HydrophobicContact CD1-CD2 4.16Å; Y172-L175 WeakPolarHBondContact O-CB 3.44Å; Y172-L175 PolarHBondContact O-N 2.83Å; Y172-L175 VanDerWaalsContact O-N 3.12Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 3.29Å; L175-V178 PolarHBondContact O-N 3.39Å; L175-A179 WeakPolarHBondContact O-CB 3.48Å; L175-A179 PolarHBondContact O-N 3.3Å |
| 176 | F | 95.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 29 Ų | 29 | 26% | 0.263 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 174.3 | -76 | -63.2 | 0 | 0 | 0 | 111.6 | F63 F67 W68 Y172 L174 V178 A179 V180 | F63-F176 HydrophobicContact CE1-CE2 4.43Å; F63-F176 HydrophobicContact CE1-CZ 4.38Å; F67-F176 HydrophobicContact CD1-CE2 4.11Å; F67-F176 AromaticContact CE1-CD2 3.78Å; F67-F176 HydrophobicContact CE1-CD2 3.78Å; F67-F176 AromaticContact CE1-CE2 3.75Å; F67-F176 HydrophobicContact CE1-CE2 3.75Å; F67-F176 AromaticContact CZ-CD2 3.99Å; F67-F176 HydrophobicContact CZ-CD2 3.99Å; F67-F176 HydrophobicContact CZ-CE2 4.09Å; W68-F176 HydrophobicContact CH2-CB 4.35Å; W68-F176 HydrophobicContact CH2-CD2 4.25Å; W68-F176 HydrophobicContact CH2-CG 4.3Å; W68-F176 HydrophobicContact CZ2-CD1 4.32Å; W68-F176 AromaticContact CZ2-CD2 3.99Å; W68-F176 HydrophobicContact CZ2-CD2 3.99Å; W68-F176 HydrophobicContact CZ2-CE2 4.26Å; W68-F176 HydrophobicContact CZ2-CG 4.04Å; Y172-F176 WeakPolarHBondContact O-CD2 2.98Å; Y172-F176 PolarHBondContact O-N 3.08Å; L174-F176 PolarHBondContact O-N 3.08Å; F176-V178 PolarHBondContact O-N 3.5Å; F176-A179 PolarHBondContact O-N 3.24Å; F176-V180 WeakPolarHBondContact O-CG2 3.49Å; F176-V180 PolarHBondContact O-N 2.93Å |
| 177 | S | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 179 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | L173 L174 L175 C181 Y219 | L173-S177 WeakPolarHBondContact O-CB 3.35Å; L173-S177 PolarHBondContact O-N 3.18Å; L173-S177 PolarHBondContact O-OG 3Å; L174-S177 WeakPolarHBondContact O-CB 3.33Å; L174-S177 PolarHBondContact O-N 2.9Å; L174-S177 VanDerWaalsContact O-N 3.17Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 3.29Å; S177-C181 WeakPolarHBondContact O-CB 3.36Å; S177-C181 PolarHBondContact O-N 3.31Å; S177-C181 PolarHBondContact O-SG 3.02Å; S177-Y219 WeakPolarHBondContact OG-CD1 3.36Å; S177-Y219 VanDerWaalsContact OG-CE1 3.23Å; S177-Y219 WeakPolarHBondContact OG-CE1 3.33Å |
| 178 | V | 96.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.024 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | V121 L122 I152 L174 L175 F176 C181 G182 | V121-V178 HydrophobicContact CG1-CG2 4.32Å; L122-V178 HydrophobicContact CD2-CB 4.38Å; L122-V178 HydrophobicContact CD2-CG2 3.71Å; I152-V178 HydrophobicContact CG2-CB 4.06Å; I152-V178 HydrophobicContact CG2-CG1 3.42Å; I152-V178 VanDerWaalsContact CG2-CG1 3.42Å; L174-V178 HydrophobicContact CD1-CG2 3.99Å; L174-V178 HydrophobicContact CG-CG2 4.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.33Å; L174-V178 PolarHBondContact O-N 3.21Å; L175-V178 PolarHBondContact O-N 3.39Å; F176-V178 PolarHBondContact O-N 3.5Å; V178-C181 PolarHBondContact O-N 2.93Å; V178-G182 PolarHBondContact O-N 2.98Å |
| 179 | A | 96.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 17 Ų | 17 | 8% | 0.083 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L175 F176 G182 W384 | L175-A179 WeakPolarHBondContact O-CB 3.48Å; L175-A179 PolarHBondContact O-N 3.3Å; F176-A179 PolarHBondContact O-N 3.24Å; A179-G182 PolarHBondContact O-N 3.39Å; A179-W384 PolarHBondContact O-NE1 3.47Å |
| 180 | V | 96.6 | Very high | 96.9 | Very high | 13 Ų | 13 | 13.2 Ų | 13.2 | 8% | 0.079 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 177.4 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | F176 G182 L183 R184 F218 I223 | F176-V180 WeakPolarHBondContact O-CG2 3.49Å; F176-V180 PolarHBondContact O-N 2.93Å; V180-G182 VanDerWaalsContact C-N 3.27Å; V180-G182 PolarHBondContact O-N 3.38Å; V180-L183 WeakPolarHBondContact O-CB 3.37Å; V180-L183 PolarHBondContact O-N 2.92Å; V180-L183 VanDerWaalsContact O-N 3.16Å; V180-R184 PolarHBondContact O-N 3.02Å; V180-F218 WeakPolarHBondContact CG1-O 3.41Å; V180-I223 HydrophobicContact CG1-CD1 4.3Å |
| 181 | C | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.7 | -34.6 | 176.5 | -71.4 | 0 | 0 | 0 | 0 | 112.3 | L122 S177 V178 L183 R184 F185 T212 | L122-C181 HydrophobicContact CD2-CB 4.09Å; S177-C181 WeakPolarHBondContact O-CB 3.36Å; S177-C181 PolarHBondContact O-N 3.31Å; S177-C181 PolarHBondContact O-SG 3.02Å; V178-C181 PolarHBondContact O-N 2.93Å; C181-L183 VanDerWaalsContact C-N 3.31Å; C181-L183 PolarHBondContact O-N 3.38Å; C181-R184 CarbonylContact O-C 3.53Å; C181-R184 WeakPolarHBondContact O-CA 3.47Å; C181-R184 WeakPolarHBondContact O-CB 3.44Å; C181-R184 PolarHBondContact O-N 2.95Å; C181-F185 HydrophobicContact CB-CE1 4.46Å; C181-F185 HydrophobicContact CB-CE2 3.85Å; C181-F185 HydrophobicContact CB-CZ 3.83Å; C181-F185 VanDerWaalsContact O-CD2 3.31Å; C181-F185 WeakPolarHBondContact O-CD2 3.14Å; C181-F185 WeakPolarHBondContact O-CG 3.33Å; C181-F185 PolarHBondContact O-N 3.18Å; C181-T212 HydrophobicContact CB-CG2 4.48Å |
| 182 | G | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56 | -42.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | V178 A179 V180 R184 F185 I186 | V178-G182 PolarHBondContact O-N 2.98Å; A179-G182 PolarHBondContact O-N 3.39Å; V180-G182 VanDerWaalsContact C-N 3.27Å; V180-G182 PolarHBondContact O-N 3.38Å; G182-R184 VanDerWaalsContact C-N 3.31Å; G182-R184 PolarHBondContact O-N 2.95Å; G182-F185 PolarHBondContact O-N 2.95Å; G182-I186 WeakPolarHBondContact O-CD1 3.38Å; G182-I186 VanDerWaalsContact O-CG1 3.3Å; G182-I186 WeakPolarHBondContact O-CG1 3.37Å; G182-I186 PolarHBondContact O-N 3.11Å; G182-I186 VanDerWaalsContact O-N 3.07Å |
| 183 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.2 | -36.2 | 174.7 | -59.2 | -178.2 | 0 | 0 | 0 | 112 | V180 C181 S187 I223 L348 W351 F380 W384 | V180-L183 WeakPolarHBondContact O-CB 3.37Å; V180-L183 PolarHBondContact O-N 2.92Å; V180-L183 VanDerWaalsContact O-N 3.16Å; C181-L183 VanDerWaalsContact C-N 3.31Å; C181-L183 PolarHBondContact O-N 3.38Å; L183-S187 VanDerWaalsContact O-CB 3.29Å; L183-S187 WeakPolarHBondContact O-CB 3.36Å; L183-S187 PolarHBondContact O-N 2.79Å; L183-I223 HydrophobicContact CD1-CD1 3.85Å; L183-I223 HydrophobicContact CD1-CG1 3.97Å; L183-L348 HydrophobicContact CD1-CD1 4.31Å; L183-W351 HydrophobicContact CB-CZ2 4.3Å; L183-W351 HydrophobicContact CD2-CD2 4.3Å; L183-W351 HydrophobicContact CD2-CE3 4.35Å; L183-W351 HydrophobicContact CD2-CH2 3.77Å; L183-W351 HydrophobicContact CD2-CZ2 3.62Å; L183-W351 HydrophobicContact CD2-CZ3 4.13Å; L183-W351 PolarHBondContact O-NE1 2.64Å; L183-F380 HydrophobicContact CD2-CE1 3.69Å; L183-F380 HydrophobicContact CD2-CZ 3.64Å; L183-W384 HydrophobicContact CD1-CH2 4.49Å; L183-W384 HydrophobicContact CD1-CZ2 3.8Å |
| 184 | R | 98.2 | Very high | 97 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 3% | 0.026 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | 176.1 | -65.2 | -176.1 | 175.6 | -168.4 | -10.2 | 111.2 | V180 C181 G182 S187 F188 Y211 T212 Y214 F217 | V180-R184 PolarHBondContact O-N 3.02Å; C181-R184 CarbonylContact O-C 3.53Å; C181-R184 WeakPolarHBondContact O-CA 3.47Å; C181-R184 WeakPolarHBondContact O-CB 3.44Å; C181-R184 PolarHBondContact O-N 2.95Å; G182-R184 VanDerWaalsContact C-N 3.31Å; G182-R184 PolarHBondContact O-N 2.95Å; R184-S187 WeakPolarHBondContact O-CB 3.21Å; R184-S187 PolarHBondContact O-N 2.9Å; R184-F188 PolarHBondContact O-N 3.36Å; R184-Y211 HydrophobicContact CB-CD1 3.99Å; R184-Y211 HydrophobicContact CB-CE1 3.4Å; R184-Y211 WeakPolarHBondContact CD-O 3.29Å; R184-Y211 HydrophobicContact CG-CD1 4.43Å; R184-Y211 HydrophobicContact CG-CE1 3.8Å; R184-Y211 HydrophobicContact CG-CE2 4.25Å; R184-Y211 VanDerWaalsContact CZ-O 3.27Å; R184-Y211 PolarHBondContact NH1-O 3.19Å; R184-Y211 WeakPolarHBondContact O-CE1 3.26Å; R184-T212 VanDerWaalsContact NH1-C 3.27Å; R184-T212 PolarHBondContact NH1-O 2.9Å; R184-Y214 PolarHBondContact NH1-O 3.28Å; R184-Y214 PolarHBondContact NH2-O 2.9Å; R184-F217 PolarHBondContact NH2-O 3.43Å |
| 185 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 178.8 | -59 | -31 | 0 | 0 | 0 | 112.1 | Q125 L126 A129 N145 C181 G182 S187 F188 S189 L208 T212 | Q125-F185 HydrophobicContact CB-CD2 4.26Å; Q125-F185 HydrophobicContact CB-CE2 3.56Å; Q125-F185 HydrophobicContact CB-CZ 4.24Å; L126-F185 HydrophobicContact CB-CE1 3.79Å; L126-F185 HydrophobicContact CB-CZ 3.91Å; L126-F185 HydrophobicContact CD1-CE1 4.42Å; L126-F185 HydrophobicContact CG-CE1 4.17Å; A129-F185 HydrophobicContact CB-CB 3.85Å; A129-F185 HydrophobicContact CB-CD1 4.49Å; A129-F185 HydrophobicContact CB-CG 4.09Å; N145-F185 WeakPolarHBondContact OD1-CB 3.5Å; C181-F185 HydrophobicContact CB-CE1 4.46Å; C181-F185 HydrophobicContact CB-CE2 3.85Å; C181-F185 HydrophobicContact CB-CZ 3.83Å; C181-F185 VanDerWaalsContact O-CD2 3.31Å; C181-F185 WeakPolarHBondContact O-CD2 3.14Å; C181-F185 WeakPolarHBondContact O-CG 3.33Å; C181-F185 PolarHBondContact O-N 3.18Å; G182-F185 PolarHBondContact O-N 2.95Å; F185-S187 VanDerWaalsContact C-N 3.31Å; F185-S187 PolarHBondContact O-N 3.32Å; F185-F188 PolarHBondContact O-N 3Å; F185-S189 WeakPolarHBondContact O-CB 3.49Å; F185-S189 PolarHBondContact O-N 3.4Å; F185-S189 PolarHBondContact O-OG 3.03Å; F185-L208 HydrophobicContact CD1-CD1 4.3Å; F185-T212 HydrophobicContact CE1-CG2 3.6Å; F185-T212 WeakPolarHBondContact CE1-OG1 3.46Å; F185-T212 HydrophobicContact CZ-CG2 3.92Å |
| 186 | I | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 173.4 | -66.7 | 163.2 | 0 | 0 | 0 | 110.7 | W142 N145 G182 F188 S189 L190 W351 F380 | W142-I186 HydrophobicContact CE3-CG2 4.4Å; W142-I186 HydrophobicContact CH2-CD1 4.34Å; W142-I186 HydrophobicContact CH2-CG2 3.66Å; W142-I186 HydrophobicContact CZ2-CG2 3.93Å; W142-I186 HydrophobicContact CZ3-CD1 3.79Å; W142-I186 HydrophobicContact CZ3-CG1 4.24Å; W142-I186 HydrophobicContact CZ3-CG2 3.91Å; N145-I186 HydrophobicContact CB-CD1 4.33Å; N145-I186 HydrophobicContact CB-CG1 3.43Å; N145-I186 VanDerWaalsContact CB-CG1 3.43Å; G182-I186 WeakPolarHBondContact O-CD1 3.38Å; G182-I186 VanDerWaalsContact O-CG1 3.3Å; G182-I186 WeakPolarHBondContact O-CG1 3.37Å; G182-I186 PolarHBondContact O-N 3.11Å; G182-I186 VanDerWaalsContact O-N 3.07Å; I186-F188 PolarHBondContact O-N 2.92Å; I186-S189 PolarHBondContact O-N 3.02Å; I186-L190 HydrophobicContact CG2-CD1 3.68Å; I186-L190 HydrophobicContact CG2-CG 4.33Å; I186-L190 WeakPolarHBondContact O-CB 3.19Å; I186-L190 WeakPolarHBondContact O-CG 3.23Å; I186-L190 PolarHBondContact O-N 2.85Å; I186-W351 HydrophobicContact CB-CZ2 3.76Å; I186-W351 HydrophobicContact CD1-CH2 3.96Å; I186-W351 HydrophobicContact CD1-CZ2 3.83Å; I186-W351 HydrophobicContact CG1-CZ2 4.39Å; I186-W351 HydrophobicContact CG2-CH2 4.05Å; I186-W351 HydrophobicContact CG2-CZ2 3.51Å; I186-F380 HydrophobicContact CD1-CE2 4.06Å; I186-F380 HydrophobicContact CD1-CZ 4.03Å |
| 187 | S | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 179.9 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | L183 R184 F185 E191 F226 Y355 | L183-S187 VanDerWaalsContact O-CB 3.29Å; L183-S187 WeakPolarHBondContact O-CB 3.36Å; L183-S187 PolarHBondContact O-N 2.79Å; R184-S187 WeakPolarHBondContact O-CB 3.21Å; R184-S187 PolarHBondContact O-N 2.9Å; F185-S187 VanDerWaalsContact C-N 3.31Å; F185-S187 PolarHBondContact O-N 3.32Å; S187-E191 WeakPolarHBondContact O-CB 3.49Å; S187-E191 VanDerWaalsContact O-CG 3.23Å; S187-E191 WeakPolarHBondContact O-CG 3.34Å; S187-E191 PolarHBondContact O-N 3.19Å; S187-E191 VanDerWaalsContact O-N 3.12Å; S187-F226 WeakPolarHBondContact OG-CB 3.3Å; S187-F226 PolarHBondContact OG-N 3.28Å; S187-Y355 WeakPolarHBondContact OG-CE2 3.4Å; S187-Y355 VanDerWaalsContact OG-CZ 3.27Å; S187-Y355 PolarHBondContact OG-OH 3.48Å |
| 188 | F | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -51.3 | 175.3 | 172.4 | -95 | 0 | 0 | 0 | 112.1 | F130 A133 R184 F185 I186 L190 E191 H192 L208 F226 | F130-F188 AromaticContact CD2-CE1 3.79Å; F130-F188 HydrophobicContact CD2-CE1 3.79Å; F130-F188 AromaticContact CD2-CZ 3.8Å; F130-F188 HydrophobicContact CD2-CZ 3.8Å; F130-F188 HydrophobicContact CE2-CE1 4.43Å; F130-F188 HydrophobicContact CE2-CZ 4.03Å; A133-F188 HydrophobicContact CB-CD1 4.37Å; A133-F188 HydrophobicContact CB-CE1 4.01Å; R184-F188 PolarHBondContact O-N 3.36Å; F185-F188 PolarHBondContact O-N 3Å; I186-F188 PolarHBondContact O-N 2.92Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 2.84Å; F188-E191 PolarHBondContact O-N 3.37Å; F188-H192 HydrophobicContact CE1-CB 4.38Å; F188-H192 HydrophobicContact CZ-CB 4.43Å; F188-H192 VanDerWaalsContact O-CB 3.27Å; F188-H192 WeakPolarHBondContact O-CB 3.29Å; F188-H192 PolarHBondContact O-N 3.31Å; F188-L208 HydrophobicContact CB-CD1 3.71Å; F188-L208 HydrophobicContact CD1-CD1 3.98Å; F188-L208 HydrophobicContact CD1-CD2 3.84Å; F188-L208 HydrophobicContact CD1-CG 4.37Å; F188-L208 HydrophobicContact CD2-CB 4.02Å; F188-L208 HydrophobicContact CD2-CD1 4Å; F188-L208 HydrophobicContact CD2-CG 4.43Å; F188-L208 HydrophobicContact CE1-CD2 3.83Å; F188-L208 HydrophobicContact CE2-CB 3.93Å; F188-L208 HydrophobicContact CG-CB 4.39Å; F188-L208 HydrophobicContact CG-CD1 3.62Å; F188-L208 HydrophobicContact CG-CD2 4.27Å; F188-L208 HydrophobicContact CG-CG 4.3Å; F188-L208 HydrophobicContact CZ-CB 4.22Å; F188-L208 HydrophobicContact CZ-CD2 4.23Å; F188-F226 HydrophobicContact CB-CB 4.4Å; F188-F226 HydrophobicContact CB-CD2 4.35Å; F188-F226 HydrophobicContact CB-CG 4.15Å; F188-F226 AromaticContact CD2-CD1 3.84Å; F188-F226 HydrophobicContact CD2-CD1 3.84Å; F188-F226 AromaticContact CD2-CD2 3.89Å; F188-F226 HydrophobicContact CD2-CD2 3.89Å; F188-F226 AromaticContact CD2-CE1 3.55Å; F188-F226 HydrophobicContact CD2-CE1 3.55Å; F188-F226 AromaticContact CD2-CE2 3.61Å; F188-F226 HydrophobicContact CD2-CE2 3.61Å; F188-F226 AromaticContact CD2-CG 3.99Å; F188-F226 HydrophobicContact CD2-CG 3.99Å; F188-F226 AromaticContact CD2-CZ 3.42Å; F188-F226 HydrophobicContact CD2-CZ 3.42Å; F188-F226 VanDerWaalsContact CD2-CZ 3.42Å; F188-F226 AromaticContact CE2-CE1 3.94Å; F188-F226 HydrophobicContact CE2-CE1 3.94Å; F188-F226 HydrophobicContact CE2-CE2 4.19Å; F188-F226 AromaticContact CE2-CZ 3.68Å; F188-F226 HydrophobicContact CE2-CZ 3.68Å |
| 189 | S | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -41.2 | -174.3 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | A129 N145 F185 I186 C193 | A129-S189 PolarHBondContact O-OG 2.9Å; N145-S189 PolarHBondContact ND2-OG 3.12Å; N145-S189 VanDerWaalsContact ND2-OG 3.11Å; F185-S189 WeakPolarHBondContact O-CB 3.49Å; F185-S189 PolarHBondContact O-N 3.4Å; F185-S189 PolarHBondContact O-OG 3.03Å; I186-S189 PolarHBondContact O-N 3.02Å; S189-C193 PolarHBondContact O-N 3.16Å; S189-C193 PolarHBondContact O-SG 3.23Å |
| 190 | L | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.3 | -44.1 | 179.5 | -66.8 | 176.1 | 0 | 0 | 0 | 112.6 | P138 W142 I186 F188 H192 C193 W194 Y355 | P138-L190 HydrophobicContact CB-CD2 4.14Å; W142-L190 HydrophobicContact CZ2-CD1 3.77Å; I186-L190 HydrophobicContact CG2-CD1 3.68Å; I186-L190 HydrophobicContact CG2-CG 4.33Å; I186-L190 WeakPolarHBondContact O-CB 3.19Å; I186-L190 WeakPolarHBondContact O-CG 3.23Å; I186-L190 PolarHBondContact O-N 2.85Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 2.84Å; L190-H192 VanDerWaalsContact C-N 3.26Å; L190-H192 PolarHBondContact O-N 3.25Å; L190-C193 WeakPolarHBondContact O-CB 3.44Å; L190-C193 PolarHBondContact O-N 3.11Å; L190-C193 VanDerWaalsContact O-N 3.11Å; L190-W194 HydrophobicContact CB-CE3 4.23Å; L190-W194 HydrophobicContact CB-CH2 3.96Å; L190-W194 HydrophobicContact CB-CZ2 4.23Å; L190-W194 HydrophobicContact CB-CZ3 3.96Å; L190-W194 HydrophobicContact CD1-CH2 4.13Å; L190-W194 HydrophobicContact CD2-CZ2 4.29Å; L190-W194 HydrophobicContact CG-CH2 4.48Å; L190-W194 PolarHBondContact O-N 3.18Å; L190-Y355 HydrophobicContact CB-CD1 3.96Å; L190-Y355 HydrophobicContact CB-CE1 4.14Å; L190-Y355 HydrophobicContact CD1-CD1 3.53Å; L190-Y355 HydrophobicContact CD1-CE1 4.45Å; L190-Y355 HydrophobicContact CD1-CG 3.99Å; L190-Y355 HydrophobicContact CG-CD1 4.4Å |
| 191 | E | 96.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 174.7 | -64.1 | -62.1 | 161 | 0 | 0 | 110.8 | S187 F188 C193 W194 S195 F226 K227 R354 Y355 | S187-E191 WeakPolarHBondContact O-CB 3.49Å; S187-E191 VanDerWaalsContact O-CG 3.23Å; S187-E191 WeakPolarHBondContact O-CG 3.34Å; S187-E191 PolarHBondContact O-N 3.19Å; S187-E191 VanDerWaalsContact O-N 3.12Å; F188-E191 PolarHBondContact O-N 3.37Å; E191-C193 VanDerWaalsContact C-N 3.32Å; E191-C193 PolarHBondContact O-N 3.32Å; E191-W194 PolarHBondContact O-N 2.7Å; E191-S195 CarbonylContact O-C 3.6Å; E191-S195 WeakPolarHBondContact O-CA 3.48Å; E191-S195 PolarHBondContact O-N 3.07Å; E191-S195 VanDerWaalsContact O-O 3.05Å; E191-F226 HydrophobicContact CB-CD1 4.23Å; E191-K227 HydrophobicContact CG-CB 4.12Å; E191-R354 IonicContact OE1-CZ 3.63Å; E191-R354 IonicContact OE1-NE 3.37Å; E191-R354 PolarHBondContact OE1-NE 3.45Å; E191-R354 IonicContact OE1-NH2 2.73Å; E191-R354 PolarHBondContact OE1-NH2 3.42Å; E191-R354 IonicContact OE2-CZ 2.96Å; E191-R354 IonicContact OE2-NE 3.86Å; E191-R354 IonicContact OE2-NH2 3.71Å; E191-R354 PolarHBondContact OE2-NH2 3.03Å; E191-Y355 HydrophobicContact CG-CE1 4.05Å; E191-Y355 WeakPolarHBondContact CG-OH 3.3Å; E191-Y355 VanDerWaalsContact OE1-CE1 3.22Å; E191-Y355 WeakPolarHBondContact OE1-CE1 3.32Å; E191-Y355 PolarHBondContact OE1-OH 2.82Å |
| 192 | H | 95.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -34.7 | 173.8 | -170.2 | 85.7 | 0 | 0 | 0 | 112.9 | A133 F188 L190 P196 Q204 | A133-H192 HydrophobicContact CB-CB 4.44Å; A133-H192 PolarHBondContact O-CD2 2.68Å; A133-H192 VanDerWaalsContact O-CD2 3.24Å; F188-H192 HydrophobicContact CE1-CB 4.38Å; F188-H192 HydrophobicContact CZ-CB 4.43Å; F188-H192 VanDerWaalsContact O-CB 3.27Å; F188-H192 WeakPolarHBondContact O-CB 3.29Å; F188-H192 PolarHBondContact O-N 3.31Å; L190-H192 VanDerWaalsContact C-N 3.26Å; L190-H192 PolarHBondContact O-N 3.25Å; H192-P196 WeakPolarHBondContact O-CB 3.21Å; H192-Q204 PolarHBondContact CE1-OE1 3.07Å; H192-Q204 VanDerWaalsContact CE1-OE1 3.28Å |
| 193 | C | 95.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 14% | 0.142 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.1 | -37.8 | 174.7 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | P138 S189 L190 E191 | P138-C193 HydrophobicContact CG-CB 3.87Å; S189-C193 PolarHBondContact O-N 3.16Å; S189-C193 PolarHBondContact O-SG 3.23Å; L190-C193 WeakPolarHBondContact O-CB 3.44Å; L190-C193 PolarHBondContact O-N 3.11Å; L190-C193 VanDerWaalsContact O-N 3.11Å; E191-C193 VanDerWaalsContact C-N 3.32Å; E191-C193 PolarHBondContact O-N 3.32Å |
| 194 | W | 94.9 | Very high | 93.7 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 38% | 0.375 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -90.2 | -39.5 | -173.7 | -61.4 | -32.7 | 0 | 0 | 0 | 114 | L190 E191 Y355 P359 | L190-W194 HydrophobicContact CB-CE3 4.23Å; L190-W194 HydrophobicContact CB-CH2 3.96Å; L190-W194 HydrophobicContact CB-CZ2 4.23Å; L190-W194 HydrophobicContact CB-CZ3 3.96Å; L190-W194 HydrophobicContact CD1-CH2 4.13Å; L190-W194 HydrophobicContact CD2-CZ2 4.29Å; L190-W194 HydrophobicContact CG-CH2 4.48Å; L190-W194 PolarHBondContact O-N 3.18Å; E191-W194 PolarHBondContact O-N 2.7Å; W194-Y355 AromaticContact CH2-CD1 3.92Å; W194-Y355 HydrophobicContact CH2-CD1 3.92Å; W194-Y355 HydrophobicContact CH2-CE1 4.48Å; W194-Y355 AromaticContact CZ3-CD1 3.71Å; W194-Y355 HydrophobicContact CZ3-CD1 3.71Å; W194-Y355 AromaticContact CZ3-CE1 3.83Å; W194-Y355 HydrophobicContact CZ3-CE1 3.83Å; W194-P359 HydrophobicContact CH2-CG 3.72Å; W194-P359 HydrophobicContact CZ2-CB 4.44Å; W194-P359 HydrophobicContact CZ2-CG 3.92Å |
| 195 | S | 91.3 | Very high | 93.7 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -152.1 | 76.7 | -174.5 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | E191 | E191-S195 CarbonylContact O-C 3.6Å; E191-S195 WeakPolarHBondContact O-CA 3.48Å; E191-S195 PolarHBondContact O-N 3.07Å; E191-S195 VanDerWaalsContact O-O 3.05Å |
| 196 | P | 86 | Confident | 93.6 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | trans | -62 | 145.2 | -178.9 | 26.9 | -34.4 | 0 | 0 | 0 | 110.5 | H192 E198 | H192-P196 WeakPolarHBondContact O-CB 3.21Å; P196-E198 PolarHBondContact O-N 3.47Å | ||
| 197 | L | 85 | Confident | 93.5 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | trans | -60.9 | 129.7 | 171 | -68.6 | 169.7 | 0 | 0 | 0 | 110.1 | C199 Q204 W207 F226 | L197-C199 PolarHBondContact O-N 3.03Å; L197-Q204 HydrophobicContact CB-CG 4.3Å; L197-Q204 PolarHBondContact O-NE2 3.48Å; L197-W207 HydrophobicContact CD1-CB 4.3Å; L197-W207 HydrophobicContact CD1-CG 4.49Å; L197-F226 HydrophobicContact CD1-CE1 3.75Å; L197-F226 HydrophobicContact CD1-CZ 3.51Å; L197-F226 HydrophobicContact CG-CE1 4.17Å; L197-F226 HydrophobicContact CG-CZ 4.42Å | ||
| 198 | E | 83.9 | Confident | 93.5 | Very high | 206 Ų | 206 | 52.2 Ų | 52.2 | 96% | 0.963 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -73.6 | 60.5 | 174 | -61.4 | -174 | 171.2 | 0 | 0 | 111.2 | P196 | P196-E198 PolarHBondContact O-N 3.47Š|
| 199 | C | 86.1 | Confident | 93.5 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 27% | 0.27 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -144.9 | 163.6 | 174.7 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | L197 A203 Q204 | L197-C199 PolarHBondContact O-N 3.03Å; C199-A203 HydrophobicContact CB-CB 3.87Å; C199-Q204 PolarHBondContact O-NE2 3.49Å; C199-Q204 VanDerWaalsContact O-NE2 3.16Å; C199-Q204 VanDerWaalsContact SG-CG 3.54Å |
| 200 | G | 90.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 54% | 0.536 | 29% | 0.289 | S | S | . | . | trans | -61.2 | 157.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V202 A203 Q204 | G200-V202 PolarHBondContact O-N 3.5Å; G200-A203 WeakPolarHBondContact O-CB 3.13Å; G200-A203 PolarHBondContact O-N 3.1Å; G200-Q204 PolarHBondContact O-N 3.39Å | ||
| 201 | R | 92.3 | Very high | 93.5 | Very high | 187 Ų | 187 | 54.6 Ų | 54.6 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -54.3 | -38.3 | -177.5 | -65.5 | -176.5 | -170 | 165.1 | 3.5 | 113.3 | Q204 L205 | R201-Q204 WeakPolarHBondContact O-CB 3.42Å; R201-Q204 PolarHBondContact O-N 3.09Å; R201-L205 WeakPolarHBondContact O-CB 3.3Å; R201-L205 PolarHBondContact O-N 2.82Å |
| 202 | V | 94.1 | Very high | 93.6 | Very high | 124 Ų | 124 | 54.3 Ų | 54.3 | 75% | 0.752 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | G200 L205 F206 | G200-V202 PolarHBondContact O-N 3.5Å; V202-L205 PolarHBondContact O-N 3.33Å; V202-F206 PolarHBondContact O-N 3.07Å |
| 203 | A | 94 | Very high | 93.7 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | C199 G200 L205 F206 W207 | C199-A203 HydrophobicContact CB-CB 3.87Å; G200-A203 WeakPolarHBondContact O-CB 3.13Å; G200-A203 PolarHBondContact O-N 3.1Å; A203-L205 VanDerWaalsContact C-N 3.33Å; A203-L205 PolarHBondContact O-N 3.37Å; A203-F206 WeakPolarHBondContact O-CB 3.31Å; A203-F206 PolarHBondContact O-N 3.16Å; A203-W207 PolarHBondContact O-N 3.11Å |
| 204 | Q | 94.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 175.3 | -64.7 | 173.5 | -9.9 | 0 | 0 | 112 | F130 H192 L197 C199 G200 R201 W207 L208 | F130-Q204 HydrophobicContact CE2-CB 4.1Å; H192-Q204 PolarHBondContact CE1-OE1 3.07Å; H192-Q204 VanDerWaalsContact CE1-OE1 3.28Å; L197-Q204 HydrophobicContact CB-CG 4.3Å; L197-Q204 PolarHBondContact O-NE2 3.48Å; C199-Q204 PolarHBondContact O-NE2 3.49Å; C199-Q204 VanDerWaalsContact O-NE2 3.16Å; C199-Q204 VanDerWaalsContact SG-CG 3.54Å; G200-Q204 PolarHBondContact O-N 3.39Å; R201-Q204 WeakPolarHBondContact O-CB 3.42Å; R201-Q204 PolarHBondContact O-N 3.09Å; Q204-W207 PolarHBondContact O-N 3.48Å; Q204-L208 PolarHBondContact O-N 3.4Å |
| 205 | L | 96.5 | Very high | 93.9 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 37% | 0.372 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.7 | -178.2 | 62 | 0 | 0 | 0 | 111.4 | L126 F130 R201 V202 A203 W207 L208 F209 | L126-L205 HydrophobicContact CD2-CD1 3.74Å; F130-L205 HydrophobicContact CD1-CD1 4.24Å; F130-L205 HydrophobicContact CD2-CD1 4.11Å; F130-L205 HydrophobicContact CE1-CD1 4.49Å; F130-L205 HydrophobicContact CE2-CB 4.03Å; F130-L205 HydrophobicContact CE2-CD1 4.37Å; F130-L205 HydrophobicContact CG-CD1 4.04Å; F130-L205 HydrophobicContact CZ-CB 3.99Å; R201-L205 WeakPolarHBondContact O-CB 3.3Å; R201-L205 PolarHBondContact O-N 2.82Å; V202-L205 PolarHBondContact O-N 3.33Å; A203-L205 VanDerWaalsContact C-N 3.33Å; A203-L205 PolarHBondContact O-N 3.37Å; L205-W207 VanDerWaalsContact C-N 3.34Å; L205-W207 PolarHBondContact O-N 3.43Å; L205-L208 PolarHBondContact O-N 3.3Å; L205-F209 WeakPolarHBondContact O-CB 3.48Å; L205-F209 PolarHBondContact O-N 3.22Å |
| 206 | F | 97.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57 | -46.1 | 173.9 | 170.3 | -97.6 | 0 | 0 | 0 | 111.9 | V99 L100 T103 V202 A203 F209 S210 | V99-F206 HydrophobicContact CG1-CE1 4.1Å; V99-F206 HydrophobicContact CG1-CZ 4.03Å; L100-F206 HydrophobicContact CD1-CE2 3.81Å; L100-F206 HydrophobicContact CD1-CZ 4.43Å; T103-F206 HydrophobicContact CG2-CE2 4.22Å; V202-F206 PolarHBondContact O-N 3.07Å; A203-F206 WeakPolarHBondContact O-CB 3.31Å; A203-F206 PolarHBondContact O-N 3.16Å; F206-F209 PolarHBondContact O-N 3.14Å; F206-S210 WeakPolarHBondContact O-CB 3.43Å; F206-S210 PolarHBondContact O-N 3.2Å |
| 207 | W | 97.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -37.8 | 178.8 | -76.6 | 108.5 | 0 | 0 | 0 | 112.9 | V99 L197 A203 Q204 L205 F209 Y211 F226 Y229 M233 R234 | V99-W207 HydrophobicContact CG1-CH2 4.05Å; V99-W207 HydrophobicContact CG1-CZ3 3.97Å; V99-W207 HydrophobicContact CG2-CH2 4.47Å; L197-W207 HydrophobicContact CD1-CB 4.3Å; L197-W207 HydrophobicContact CD1-CG 4.49Å; A203-W207 PolarHBondContact O-N 3.11Å; Q204-W207 PolarHBondContact O-N 3.48Å; L205-W207 VanDerWaalsContact C-N 3.34Å; L205-W207 PolarHBondContact O-N 3.43Å; W207-F209 VanDerWaalsContact C-N 3.34Å; W207-Y211 WeakPolarHBondContact O-CB 3.47Å; W207-Y211 PolarHBondContact O-N 2.99Å; W207-F226 HydrophobicContact CB-CE2 4.22Å; W207-F226 HydrophobicContact CB-CZ 4.17Å; W207-Y229 HydrophobicContact CE3-CE1 4.46Å; W207-M233 HydrophobicContact CH2-CB 4.32Å; W207-M233 HydrophobicContact CZ3-CB 3.88Å; W207-R234 HydrophobicContact CH2-CG 3.38Å; W207-R234 HydrophobicContact CZ2-CG 3.35Å; W207-R234 VanDerWaalsContact CZ2-NE 3.34Å; W207-R234 HydrophobicContact CZ3-CG 4.21Å |
| 208 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 171.7 | 174.2 | 57.4 | 0 | 0 | 0 | 111 | L126 F130 F185 F188 Q204 L205 Y211 T212 | L126-L208 HydrophobicContact CD1-CG 4.2Å; L126-L208 HydrophobicContact CD2-CD2 3.99Å; L126-L208 HydrophobicContact CD2-CG 4.39Å; L126-L208 HydrophobicContact CG-CD2 3.88Å; L126-L208 HydrophobicContact CG-CG 4Å; F130-L208 HydrophobicContact CB-CD2 3.79Å; F130-L208 HydrophobicContact CD2-CD2 3.83Å; F130-L208 HydrophobicContact CG-CD2 4.25Å; F185-L208 HydrophobicContact CD1-CD1 4.3Å; F188-L208 HydrophobicContact CB-CD1 3.71Å; F188-L208 HydrophobicContact CD1-CD1 3.98Å; F188-L208 HydrophobicContact CD1-CD2 3.84Å; F188-L208 HydrophobicContact CD1-CG 4.37Å; F188-L208 HydrophobicContact CD2-CB 4.02Å; F188-L208 HydrophobicContact CD2-CD1 4Å; F188-L208 HydrophobicContact CD2-CG 4.43Å; F188-L208 HydrophobicContact CE1-CD2 3.83Å; F188-L208 HydrophobicContact CE2-CB 3.93Å; F188-L208 HydrophobicContact CG-CB 4.39Å; F188-L208 HydrophobicContact CG-CD1 3.62Å; F188-L208 HydrophobicContact CG-CD2 4.27Å; F188-L208 HydrophobicContact CG-CG 4.3Å; F188-L208 HydrophobicContact CZ-CB 4.22Å; F188-L208 HydrophobicContact CZ-CD2 4.23Å; Q204-L208 PolarHBondContact O-N 3.4Å; L205-L208 PolarHBondContact O-N 3.3Å; L208-Y211 PolarHBondContact O-N 3.08Å; L208-T212 VanDerWaalsContact O-CB 3.27Å; L208-T212 WeakPolarHBondContact O-CB 3.49Å; L208-T212 PolarHBondContact O-N 3.03Å; L208-T212 PolarHBondContact O-OG1 2.87Å |
| 209 | F | 98.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 21% | 0.211 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -50.6 | 179.5 | -172.3 | -82.7 | 0 | 0 | 0 | 111.6 | T103 F107 L123 L126 L205 F206 W207 Y211 T212 F213 | T103-F209 HydrophobicContact CG2-CD1 3.48Å; T103-F209 VanDerWaalsContact CG2-CD1 3.48Å; T103-F209 HydrophobicContact CG2-CE1 3.77Å; F107-F209 HydrophobicContact CB-CE1 3.88Å; F107-F209 HydrophobicContact CB-CZ 3.98Å; F107-F209 HydrophobicContact CD1-CZ 4.21Å; F107-F209 HydrophobicContact CD2-CE1 4.05Å; F107-F209 HydrophobicContact CD2-CE2 4.1Å; F107-F209 AromaticContact CD2-CZ 3.32Å; F107-F209 HydrophobicContact CD2-CZ 3.32Å; F107-F209 HydrophobicContact CE2-CE2 4.18Å; F107-F209 AromaticContact CE2-CZ 3.75Å; F107-F209 HydrophobicContact CE2-CZ 3.75Å; F107-F209 AromaticContact CG-CE1 3.99Å; F107-F209 HydrophobicContact CG-CE1 3.99Å; F107-F209 AromaticContact CG-CZ 3.56Å; F107-F209 HydrophobicContact CG-CZ 3.56Å; F107-F209 HydrophobicContact CZ-CZ 4.37Å; L123-F209 HydrophobicContact CD2-CD2 4.21Å; L123-F209 HydrophobicContact CD2-CE2 3.64Å; L126-F209 HydrophobicContact CD1-CD2 4.28Å; L205-F209 WeakPolarHBondContact O-CB 3.48Å; L205-F209 PolarHBondContact O-N 3.22Å; F206-F209 PolarHBondContact O-N 3.14Å; W207-F209 VanDerWaalsContact C-N 3.34Å; F209-Y211 VanDerWaalsContact C-N 3.32Å; F209-Y211 PolarHBondContact O-N 3.43Å; F209-T212 PolarHBondContact O-N 2.84Å; F209-T212 VanDerWaalsContact O-N 3.12Å; F209-F213 HydrophobicContact CD1-CD2 4.04Å; F209-F213 HydrophobicContact CD2-CD2 4.06Å; F209-F213 AromaticContact CD2-CE2 3.92Å; F209-F213 HydrophobicContact CD2-CE2 3.92Å; F209-F213 AromaticContact CE1-CD2 3.9Å; F209-F213 HydrophobicContact CE1-CD2 3.9Å; F209-F213 HydrophobicContact CE1-CE2 4.44Å; F209-F213 AromaticContact CE2-CD2 3.94Å; F209-F213 HydrophobicContact CE2-CD2 3.94Å; F209-F213 AromaticContact CE2-CE2 3.67Å; F209-F213 HydrophobicContact CE2-CE2 3.67Å; F209-F213 HydrophobicContact CG-CD2 4.12Å; F209-F213 HydrophobicContact CG-CE2 4.44Å; F209-F213 AromaticContact CZ-CD2 3.87Å; F209-F213 HydrophobicContact CZ-CD2 3.87Å; F209-F213 AromaticContact CZ-CE2 3.96Å; F209-F213 HydrophobicContact CZ-CE2 3.96Å; F209-F213 WeakPolarHBondContact O-CD2 3.3Å; F209-F213 PolarHBondContact O-N 2.85Å |
| 210 | S | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54 | -48.4 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | T103 F206 T212 Y214 Y229 | T103-S210 WeakPolarHBondContact OG1-CB 3.33Å; T103-S210 PolarHBondContact OG1-OG 3.23Å; T103-S210 VanDerWaalsContact OG1-OG 3.13Å; F206-S210 WeakPolarHBondContact O-CB 3.43Å; F206-S210 PolarHBondContact O-N 3.2Å; S210-T212 PolarHBondContact O-N 3.41Å; S210-Y214 WeakPolarHBondContact O-CB 3.41Å; S210-Y214 PolarHBondContact O-N 3.31Å; S210-Y229 PolarHBondContact O-OH 3.05Å; S210-Y229 PolarHBondContact OG-OH 3.27Å |
| 211 | Y | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 177.6 | 174.3 | -123.9 | 0 | 0 | 0 | 112.7 | R184 W207 L208 F209 I224 F226 Y229 | R184-Y211 HydrophobicContact CB-CD1 3.99Å; R184-Y211 HydrophobicContact CB-CE1 3.4Å; R184-Y211 WeakPolarHBondContact CD-O 3.29Å; R184-Y211 HydrophobicContact CG-CD1 4.43Å; R184-Y211 HydrophobicContact CG-CE1 3.8Å; R184-Y211 HydrophobicContact CG-CE2 4.25Å; R184-Y211 VanDerWaalsContact CZ-O 3.27Å; R184-Y211 PolarHBondContact NH1-O 3.19Å; R184-Y211 WeakPolarHBondContact O-CE1 3.26Å; W207-Y211 WeakPolarHBondContact O-CB 3.47Å; W207-Y211 PolarHBondContact O-N 2.99Å; L208-Y211 PolarHBondContact O-N 3.08Å; F209-Y211 VanDerWaalsContact C-N 3.32Å; F209-Y211 PolarHBondContact O-N 3.43Å; Y211-I224 HydrophobicContact CE2-CG2 4.11Å; Y211-I224 PolarHBondContact OH-O 3.27Å; Y211-F226 HydrophobicContact CD1-CB 4.17Å; Y211-F226 AromaticContact CD1-CD2 3.53Å; Y211-F226 HydrophobicContact CD1-CD2 3.53Å; Y211-F226 HydrophobicContact CD1-CE2 4.42Å; Y211-F226 HydrophobicContact CD1-CG 4.31Å; Y211-F226 HydrophobicContact CE1-CB 3.74Å; Y211-F226 HydrophobicContact CE1-CD2 4.01Å; Y211-F226 HydrophobicContact CE1-CG 4.36Å; Y211-F226 AromaticContact CG-CD2 3.79Å; Y211-F226 HydrophobicContact CG-CD2 3.79Å; Y211-F226 PolarHBondContact OH-N 3.23Å; Y211-Y229 AromaticContact CD2-CD1 3.64Å; Y211-Y229 HydrophobicContact CD2-CD1 3.64Å; Y211-Y229 HydrophobicContact CD2-CD2 4.12Å; Y211-Y229 HydrophobicContact CD2-CE1 4.25Å; Y211-Y229 AromaticContact CD2-CG 3.56Å; Y211-Y229 HydrophobicContact CD2-CG 3.56Å; Y211-Y229 HydrophobicContact CE2-CG 4.28Å; Y211-Y229 HydrophobicContact CG-CD1 4.03Å; Y211-Y229 HydrophobicContact CG-CE1 4.44Å; Y211-Y229 HydrophobicContact CG-CG 4.4Å |
| 212 | T | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.8 | -42.3 | -178.5 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | L126 C181 R184 F185 L208 F209 S210 F218 | L126-T212 HydrophobicContact CD1-CG2 4.15Å; C181-T212 HydrophobicContact CB-CG2 4.48Å; R184-T212 VanDerWaalsContact NH1-C 3.27Å; R184-T212 PolarHBondContact NH1-O 2.9Å; F185-T212 HydrophobicContact CE1-CG2 3.6Å; F185-T212 WeakPolarHBondContact CE1-OG1 3.46Å; F185-T212 HydrophobicContact CZ-CG2 3.92Å; L208-T212 VanDerWaalsContact O-CB 3.27Å; L208-T212 WeakPolarHBondContact O-CB 3.49Å; L208-T212 PolarHBondContact O-N 3.03Å; L208-T212 PolarHBondContact O-OG1 2.87Å; F209-T212 PolarHBondContact O-N 2.84Å; F209-T212 VanDerWaalsContact O-N 3.12Å; S210-T212 PolarHBondContact O-N 3.41Å; T212-F218 WeakPolarHBondContact O-CD2 3.25Å; T212-F218 WeakPolarHBondContact O-CE2 3.5Å |
| 213 | F | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -94.8 | -3.8 | -176 | -71.4 | -74.8 | 0 | 0 | 0 | 114.5 | D106 F107 A110 V119 L122 L123 L126 F209 H215 F218 | D106-F213 WeakPolarHBondContact CB-O 3.29Å; F107-F213 HydrophobicContact CD2-CD1 4.15Å; F107-F213 HydrophobicContact CD2-CD2 4.07Å; F107-F213 HydrophobicContact CD2-CE1 4.05Å; F107-F213 AromaticContact CD2-CE2 3.97Å; F107-F213 HydrophobicContact CD2-CE2 3.97Å; F107-F213 HydrophobicContact CD2-CG 4.17Å; F107-F213 AromaticContact CD2-CZ 3.97Å; F107-F213 HydrophobicContact CD2-CZ 3.97Å; F107-F213 HydrophobicContact CE2-CE1 4.45Å; F107-F213 HydrophobicContact CE2-CE2 4.32Å; F107-F213 HydrophobicContact CE2-CZ 4.11Å; A110-F213 HydrophobicContact CB-CD1 3.81Å; A110-F213 HydrophobicContact CB-CE1 4.19Å; V119-F213 HydrophobicContact CG1-CE1 4.31Å; V119-F213 HydrophobicContact CG1-CZ 4.22Å; L122-F213 HydrophobicContact CB-CZ 4.32Å; L122-F213 HydrophobicContact CD1-CE1 4.23Å; L123-F213 HydrophobicContact CD2-CE2 3.78Å; L123-F213 HydrophobicContact CD2-CZ 3.88Å; L123-F213 HydrophobicContact CG-CZ 4.39Å; L126-F213 HydrophobicContact CD1-CE2 4.47Å; F209-F213 HydrophobicContact CD1-CD2 4.04Å; F209-F213 HydrophobicContact CD2-CD2 4.06Å; F209-F213 AromaticContact CD2-CE2 3.92Å; F209-F213 HydrophobicContact CD2-CE2 3.92Å; F209-F213 AromaticContact CE1-CD2 3.9Å; F209-F213 HydrophobicContact CE1-CD2 3.9Å; F209-F213 HydrophobicContact CE1-CE2 4.44Å; F209-F213 AromaticContact CE2-CD2 3.94Å; F209-F213 HydrophobicContact CE2-CD2 3.94Å; F209-F213 AromaticContact CE2-CE2 3.67Å; F209-F213 HydrophobicContact CE2-CE2 3.67Å; F209-F213 HydrophobicContact CG-CD2 4.12Å; F209-F213 HydrophobicContact CG-CE2 4.44Å; F209-F213 AromaticContact CZ-CD2 3.87Å; F209-F213 HydrophobicContact CZ-CD2 3.87Å; F209-F213 AromaticContact CZ-CE2 3.96Å; F209-F213 HydrophobicContact CZ-CE2 3.96Å; F209-F213 WeakPolarHBondContact O-CD2 3.3Å; F209-F213 PolarHBondContact O-N 2.85Å; F213-H215 WeakPolarHBondContact O-CA 3.25Å; F213-H215 PolarHBondContact O-N 3.46Å; F213-F218 HydrophobicContact CD1-CD2 4.33Å; F213-F218 AromaticContact CD1-CE2 3.5Å; F213-F218 HydrophobicContact CD1-CE2 3.5Å; F213-F218 VanDerWaalsContact CD1-CE2 3.5Å; F213-F218 AromaticContact CD1-CZ 3.85Å; F213-F218 HydrophobicContact CD1-CZ 3.85Å; F213-F218 AromaticContact CE1-CE2 3.94Å; F213-F218 HydrophobicContact CE1-CE2 3.94Å; F213-F218 AromaticContact CE1-CZ 4Å; F213-F218 HydrophobicContact CE1-CZ 4Å; F213-F218 HydrophobicContact CG-CE2 4.31Å |
| 214 | Y | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | trans | -48.2 | 106.7 | -178.9 | -178.1 | -116.2 | 0 | 0 | 0 | 112.2 | H83 R184 S210 P216 F217 F218 Y229 A317 D320 L322 | H83-Y214 AromaticContact CE1-CE2 3.8Å; H83-Y214 AromaticContact NE2-CE2 3.99Å; R184-Y214 PolarHBondContact NH1-O 3.28Å; R184-Y214 PolarHBondContact NH2-O 2.9Å; S210-Y214 WeakPolarHBondContact O-CB 3.41Å; S210-Y214 PolarHBondContact O-N 3.31Å; Y214-P216 HydrophobicContact CE1-CB 3.86Å; Y214-P216 HydrophobicContact CE1-CG 3.94Å; Y214-P216 HydrophobicContact CE2-CG 4Å; Y214-F217 HydrophobicContact CD1-CB 4.31Å; Y214-F217 AromaticContact CD1-CD2 3.98Å; Y214-F217 HydrophobicContact CD1-CD2 3.98Å; Y214-F217 HydrophobicContact CD1-CG 4.38Å; Y214-F217 AromaticContact CE1-CD2 3.76Å; Y214-F217 HydrophobicContact CE1-CD2 3.76Å; Y214-F217 HydrophobicContact CE1-CE2 4.08Å; Y214-F217 HydrophobicContact CE1-CG 4.27Å; Y214-F217 PolarHBondContact O-N 2.9Å; Y214-F218 WeakPolarHBondContact O-CB 3.4Å; Y214-F218 PolarHBondContact O-N 3.34Å; Y214-Y229 AromaticContact CD1-CE2 3.95Å; Y214-Y229 HydrophobicContact CD1-CE2 3.95Å; Y214-Y229 AromaticContact CD2-CE2 3.91Å; Y214-Y229 HydrophobicContact CD2-CE2 3.91Å; Y214-Y229 HydrophobicContact CE1-CE2 4.43Å; Y214-Y229 HydrophobicContact CE2-CE2 4.4Å; Y214-Y229 AromaticContact CG-CE2 3.65Å; Y214-Y229 HydrophobicContact CG-CE2 3.65Å; Y214-A317 HydrophobicContact CE1-CB 4.44Å; Y214-A317 WeakPolarHBondContact OH-CA 3.43Å; Y214-D320 VanDerWaalsContact CE2-OD2 3.3Å; Y214-D320 WeakPolarHBondContact CE2-OD2 3.26Å; Y214-D320 PolarHBondContact OH-OD2 2.86Å; Y214-L322 HydrophobicContact CE1-CD1 3.68Å; Y214-L322 HydrophobicContact CE2-CD1 4.49Å | ||
| 215 | H | 97 | Very high | 96 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -64.1 | -43.2 | -159.6 | -175 | 63.4 | 0 | 0 | 0 | 113.6 | T79 L80 D106 F213 F217 F218 Y219 | T79-H215 VanDerWaalsContact CB-NE2 3.35Å; T79-H215 WeakPolarHBondContact CB-NE2 3.33Å; T79-H215 PolarHBondContact OG1-CE1 2.87Å; T79-H215 PolarHBondContact OG1-NE2 3.22Å; L80-H215 PolarHBondContact N-NE2 3.44Å; D106-H215 HydrophobicContact CB-CB 3.9Å; D106-H215 VanDerWaalsContact OD1-CB 3.29Å; D106-H215 WeakPolarHBondContact OD1-CB 3.42Å; D106-H215 PolarHBondContact OD2-N 3.27Å; F213-H215 WeakPolarHBondContact O-CA 3.25Å; F213-H215 PolarHBondContact O-N 3.46Å; H215-F217 PolarHBondContact O-N 3.14Å; H215-F217 VanDerWaalsContact O-N 3.07Å; H215-F218 WeakPolarHBondContact O-CB 3.37Å; H215-F218 PolarHBondContact O-N 3.09Å; H215-F218 VanDerWaalsContact O-N 3.08Å; H215-Y219 AromaticContact CE1-CE2 3.92Å |
| 216 | P | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.013 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -53.1 | -35.8 | 179.9 | -31.5 | 39.5 | 0 | 0 | 0 | 114 | H83 Y214 P313 L316 | H83-P216 WeakPolarHBondContact NE2-CG 3.4Å; Y214-P216 HydrophobicContact CE1-CB 3.86Å; Y214-P216 HydrophobicContact CE1-CG 3.94Å; Y214-P216 HydrophobicContact CE2-CG 4Å; P216-P313 WeakPolarHBondContact O-CB 3.3Å; P216-P313 WeakPolarHBondContact O-CG 3.37Å; P216-L316 HydrophobicContact CB-CB 4.24Å; P216-L316 HydrophobicContact CG-CB 4.02Å; P216-L316 HydrophobicContact CG-CD1 4.47Å |
| 217 | F | 96.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 1% | 0.013 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -110.6 | 12.6 | -178.8 | -61.1 | -30.2 | 0 | 0 | 0 | 113.7 | R184 Y214 H215 N220 P222 I224 P313 A317 P324 | R184-F217 PolarHBondContact NH2-O 3.43Å; Y214-F217 HydrophobicContact CD1-CB 4.31Å; Y214-F217 AromaticContact CD1-CD2 3.98Å; Y214-F217 HydrophobicContact CD1-CD2 3.98Å; Y214-F217 HydrophobicContact CD1-CG 4.38Å; Y214-F217 AromaticContact CE1-CD2 3.76Å; Y214-F217 HydrophobicContact CE1-CD2 3.76Å; Y214-F217 HydrophobicContact CE1-CE2 4.08Å; Y214-F217 HydrophobicContact CE1-CG 4.27Å; Y214-F217 PolarHBondContact O-N 2.9Å; H215-F217 PolarHBondContact O-N 3.14Å; H215-F217 VanDerWaalsContact O-N 3.07Å; F217-N220 CarbonylContact C-O 2.91Å; F217-N220 WeakPolarHBondContact CA-O 3.26Å; F217-P222 HydrophobicContact CD1-CG 4.16Å; F217-P222 VanDerWaalsContact CE1-CD 3.49Å; F217-P222 HydrophobicContact CE1-CG 3.58Å; F217-P222 HydrophobicContact CZ-CG 3.9Å; F217-I224 HydrophobicContact CD2-CG2 3.9Å; F217-I224 HydrophobicContact CE2-CG2 4.26Å; F217-P313 HydrophobicContact CD1-CB 3.73Å; F217-P313 HydrophobicContact CE1-CB 3.62Å; F217-A317 HydrophobicContact CE1-CB 4.13Å; F217-A317 HydrophobicContact CE2-CB 3.69Å; F217-A317 HydrophobicContact CZ-CB 3.3Å; F217-P324 HydrophobicContact CZ-CB 3.96Å |
| 218 | F | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -49.6 | -168.4 | -177.1 | -105.1 | 0 | 0 | 0 | 112.8 | A110 L114 L122 V180 T212 F213 Y214 H215 | A110-F218 HydrophobicContact CB-CE1 3.92Å; A110-F218 HydrophobicContact CB-CZ 3.94Å; L114-F218 HydrophobicContact CD1-CE1 3.86Å; L114-F218 HydrophobicContact CD1-CZ 4.04Å; L122-F218 HydrophobicContact CD1-CE2 4.19Å; L122-F218 HydrophobicContact CD1-CZ 3.53Å; V180-F218 WeakPolarHBondContact CG1-O 3.41Å; T212-F218 WeakPolarHBondContact O-CD2 3.25Å; T212-F218 WeakPolarHBondContact O-CE2 3.5Å; F213-F218 HydrophobicContact CD1-CD2 4.33Å; F213-F218 AromaticContact CD1-CE2 3.5Å; F213-F218 HydrophobicContact CD1-CE2 3.5Å; F213-F218 VanDerWaalsContact CD1-CE2 3.5Å; F213-F218 AromaticContact CD1-CZ 3.85Å; F213-F218 HydrophobicContact CD1-CZ 3.85Å; F213-F218 AromaticContact CE1-CE2 3.94Å; F213-F218 HydrophobicContact CE1-CE2 3.94Å; F213-F218 AromaticContact CE1-CZ 4Å; F213-F218 HydrophobicContact CE1-CZ 4Å; F213-F218 HydrophobicContact CG-CE2 4.31Å; Y214-F218 WeakPolarHBondContact O-CB 3.4Å; Y214-F218 PolarHBondContact O-N 3.34Å; H215-F218 WeakPolarHBondContact O-CB 3.37Å; H215-F218 PolarHBondContact O-N 3.09Å; H215-F218 VanDerWaalsContact O-N 3.08Å |
| 219 | Y | 91.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 4% | 0.039 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -94.2 | -47.5 | -176.6 | -61.5 | -71 | 0 | 0 | 0 | 112.7 | L76 L113 L114 L173 S177 H215 | L76-Y219 HydrophobicContact CD2-CD2 3.55Å; L76-Y219 HydrophobicContact CD2-CE2 3.5Å; L76-Y219 VanDerWaalsContact CD2-CE2 3.5Å; L76-Y219 HydrophobicContact CD2-CG 4.42Å; L113-Y219 VanDerWaalsContact CB-OH 3.24Å; L113-Y219 WeakPolarHBondContact CB-OH 3.32Å; L113-Y219 HydrophobicContact CD1-CE2 3.63Å; L113-Y219 WeakPolarHBondContact CD1-OH 3.13Å; L114-Y219 HydrophobicContact CD1-CE1 4.44Å; L114-Y219 HydrophobicContact CD2-CE1 4.13Å; L114-Y219 HydrophobicContact CG-CE1 4.23Å; L173-Y219 HydrophobicContact CD1-CD1 3.4Å; L173-Y219 HydrophobicContact CD1-CE1 3.73Å; L173-Y219 HydrophobicContact CD1-CG 4.01Å; L173-Y219 HydrophobicContact CD2-CD1 4.43Å; L173-Y219 HydrophobicContact CD2-CE1 3.89Å; L173-Y219 HydrophobicContact CG-CD1 3.83Å; L173-Y219 HydrophobicContact CG-CE1 3.67Å; S177-Y219 WeakPolarHBondContact OG-CD1 3.36Å; S177-Y219 VanDerWaalsContact OG-CE1 3.23Å; S177-Y219 WeakPolarHBondContact OG-CE1 3.33Å; H215-Y219 AromaticContact CE1-CE2 3.92Å |
| 220 | N | 87.5 | Confident | 95.6 | Very high | 34 Ų | 34 | 11 Ų | 11 | 18% | 0.182 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -141.6 | 170.9 | 175.8 | 80.3 | 28.9 | 0 | 0 | 0 | 108.6 | W68 F217 L309 | W68-N220 HydrophobicContact CH2-CB 4.04Å; W68-N220 HydrophobicContact CZ2-CB 3.87Å; W68-N220 HydrophobicContact CZ3-CB 4.48Å; F217-N220 CarbonylContact C-O 2.91Å; F217-N220 WeakPolarHBondContact CA-O 3.26Å; N220-L309 PolarHBondContact OD1-O 2.9Å |
| 221 | G | 89.1 | Confident | 95.4 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 8% | 0.082 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 122.4 | 170.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F310 | G221-F310 VanDerWaalsContact CA-CD1 3.46Š|
| 222 | P | 94 | Very high | 95.2 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.019 | 9% | 0.091 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 137.4 | -179.5 | 29 | -35.9 | 0 | 0 | 0 | 111.4 | F217 I224 F310 P325 | F217-P222 HydrophobicContact CD1-CG 4.16Å; F217-P222 VanDerWaalsContact CE1-CD 3.49Å; F217-P222 HydrophobicContact CE1-CG 3.58Å; F217-P222 HydrophobicContact CZ-CG 3.9Å; P222-I224 PolarHBondContact O-N 3.33Å; P222-F310 HydrophobicContact CB-CD2 4.11Å; P222-F310 HydrophobicContact CB-CE2 4.29Å; P222-P325 HydrophobicContact CB-CB 4.06Å; P222-P325 HydrophobicContact CB-CG 3.94Å |
| 223 | I | 95.8 | Very high | 95 | Very high | 15 Ų | 15 | 18.6 Ų | 18.6 | 8% | 0.077 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 121.6 | 178.1 | -53.6 | -57.9 | 0 | 0 | 0 | 110.4 | V180 L183 P325 G347 W351 | V180-I223 HydrophobicContact CG1-CD1 4.3Å; L183-I223 HydrophobicContact CD1-CD1 3.85Å; L183-I223 HydrophobicContact CD1-CG1 3.97Å; I223-P325 WeakPolarHBondContact O-CG 3.43Å; I223-G347 WeakPolarHBondContact O-CA 3.39Å; I223-W351 HydrophobicContact CG2-CB 4.22Å; I223-W351 HydrophobicContact CG2-CG 4.23Å |
| 224 | I | 96.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -102.5 | 143.5 | 167.6 | -169 | 169.3 | 0 | 0 | 0 | 109.2 | Y211 F217 P222 A228 L322 | Y211-I224 HydrophobicContact CE2-CG2 4.11Å; Y211-I224 PolarHBondContact OH-O 3.27Å; F217-I224 HydrophobicContact CD2-CG2 3.9Å; F217-I224 HydrophobicContact CE2-CG2 4.26Å; P222-I224 PolarHBondContact O-N 3.33Å; I224-A228 HydrophobicContact CD1-CB 4.22Å; I224-A228 HydrophobicContact CG1-CB 3.88Å; I224-L322 HydrophobicContact CD1-CD1 4.47Å; I224-L322 HydrophobicContact CD1-CD2 4.19Å |
| 225 | T | 97.3 | Very high | 93.9 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 16% | 0.16 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 152.9 | 176.8 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | K227 A228 Y229 Y355 | T225-K227 VanDerWaalsContact C-N 3.29Å; T225-K227 PolarHBondContact O-N 2.88Å; T225-A228 PolarHBondContact O-N 3.48Å; T225-A228 VanDerWaalsContact O-N 3.15Å; T225-A228 WeakPolarHBondContact OG1-CB 3.46Å; T225-A228 PolarHBondContact OG1-N 2.94Å; T225-Y229 PolarHBondContact O-N 3.33Å; T225-Y355 WeakPolarHBondContact CB-OH 3.2Å; T225-Y355 HydrophobicContact CG2-CE2 3.8Å |
| 226 | F | 97.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.6 | -45.4 | 178.9 | 175.9 | -108.8 | 0 | 0 | 0 | 112 | S187 F188 E191 L197 W207 Y211 A228 Y229 A230 | S187-F226 WeakPolarHBondContact OG-CB 3.3Å; S187-F226 PolarHBondContact OG-N 3.28Å; F188-F226 HydrophobicContact CB-CB 4.4Å; F188-F226 HydrophobicContact CB-CD2 4.35Å; F188-F226 HydrophobicContact CB-CG 4.15Å; F188-F226 AromaticContact CD2-CD1 3.84Å; F188-F226 HydrophobicContact CD2-CD1 3.84Å; F188-F226 AromaticContact CD2-CD2 3.89Å; F188-F226 HydrophobicContact CD2-CD2 3.89Å; F188-F226 AromaticContact CD2-CE1 3.55Å; F188-F226 HydrophobicContact CD2-CE1 3.55Å; F188-F226 AromaticContact CD2-CE2 3.61Å; F188-F226 HydrophobicContact CD2-CE2 3.61Å; F188-F226 AromaticContact CD2-CG 3.99Å; F188-F226 HydrophobicContact CD2-CG 3.99Å; F188-F226 AromaticContact CD2-CZ 3.42Å; F188-F226 HydrophobicContact CD2-CZ 3.42Å; F188-F226 VanDerWaalsContact CD2-CZ 3.42Å; F188-F226 AromaticContact CE2-CE1 3.94Å; F188-F226 HydrophobicContact CE2-CE1 3.94Å; F188-F226 HydrophobicContact CE2-CE2 4.19Å; F188-F226 AromaticContact CE2-CZ 3.68Å; F188-F226 HydrophobicContact CE2-CZ 3.68Å; E191-F226 HydrophobicContact CB-CD1 4.23Å; L197-F226 HydrophobicContact CD1-CE1 3.75Å; L197-F226 HydrophobicContact CD1-CZ 3.51Å; L197-F226 HydrophobicContact CG-CE1 4.17Å; L197-F226 HydrophobicContact CG-CZ 4.42Å; W207-F226 HydrophobicContact CB-CE2 4.22Å; W207-F226 HydrophobicContact CB-CZ 4.17Å; Y211-F226 HydrophobicContact CD1-CB 4.17Å; Y211-F226 AromaticContact CD1-CD2 3.53Å; Y211-F226 HydrophobicContact CD1-CD2 3.53Å; Y211-F226 HydrophobicContact CD1-CE2 4.42Å; Y211-F226 HydrophobicContact CD1-CG 4.31Å; Y211-F226 HydrophobicContact CE1-CB 3.74Å; Y211-F226 HydrophobicContact CE1-CD2 4.01Å; Y211-F226 HydrophobicContact CE1-CG 4.36Å; Y211-F226 AromaticContact CG-CD2 3.79Å; Y211-F226 HydrophobicContact CG-CD2 3.79Å; Y211-F226 PolarHBondContact OH-N 3.23Å; F226-A228 PolarHBondContact O-N 2.88Å; F226-Y229 PolarHBondContact O-N 3.37Å; F226-A230 HydrophobicContact CE1-CB 4.42Å; F226-A230 HydrophobicContact CE2-CB 4.26Å; F226-A230 HydrophobicContact CZ-CB 4.13Å; F226-A230 VanDerWaalsContact O-CB 3.31Å; F226-A230 WeakPolarHBondContact O-CB 3.28Å; F226-A230 PolarHBondContact O-N 2.94Å |
| 227 | K | 95.2 | Very high | 90.9 | Very high | 78 Ų | 78 | 35.5 Ų | 35.5 | 34% | 0.339 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 178.1 | -178 | 173 | -177.9 | 173.9 | 0 | 111.4 | E191 T225 Y229 A230 E231 | E191-K227 HydrophobicContact CG-CB 4.12Å; T225-K227 VanDerWaalsContact C-N 3.29Å; T225-K227 PolarHBondContact O-N 2.88Å; K227-Y229 PolarHBondContact O-N 3.07Å; K227-A230 PolarHBondContact O-N 3.41Å; K227-E231 WeakPolarHBondContact CE-OE1 3.19Å; K227-E231 HydrophobicContact CG-CG 4.34Å; K227-E231 IonicContact NZ-OE1 2.74Å; K227-E231 VanDerWaalsContact O-CB 3.3Å; K227-E231 WeakPolarHBondContact O-CB 3.34Å; K227-E231 VanDerWaalsContact O-CG 3.26Å; K227-E231 WeakPolarHBondContact O-CG 3.47Å; K227-E231 PolarHBondContact O-N 3.24Å |
| 228 | A | 95.4 | Very high | 88.9 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I224 T225 F226 Q232 | I224-A228 HydrophobicContact CD1-CB 4.22Å; I224-A228 HydrophobicContact CG1-CB 3.88Å; T225-A228 PolarHBondContact O-N 3.48Å; T225-A228 VanDerWaalsContact O-N 3.15Å; T225-A228 WeakPolarHBondContact OG1-CB 3.46Å; T225-A228 PolarHBondContact OG1-N 2.94Å; F226-A228 PolarHBondContact O-N 2.88Å; A228-Q232 VanDerWaalsContact O-CB 3.25Å; A228-Q232 WeakPolarHBondContact O-CB 3.48Å; A228-Q232 WeakPolarHBondContact O-CG 3.15Å; A228-Q232 PolarHBondContact O-N 3.1Å |
| 229 | Y | 96.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -53.8 | 176.5 | 176.4 | -94.3 | 0 | 0 | 0 | 111.9 | W207 S210 Y211 Y214 T225 F226 K227 E231 Q232 M233 L322 | W207-Y229 HydrophobicContact CE3-CE1 4.46Å; S210-Y229 PolarHBondContact O-OH 3.05Å; S210-Y229 PolarHBondContact OG-OH 3.27Å; Y211-Y229 AromaticContact CD2-CD1 3.64Å; Y211-Y229 HydrophobicContact CD2-CD1 3.64Å; Y211-Y229 HydrophobicContact CD2-CD2 4.12Å; Y211-Y229 HydrophobicContact CD2-CE1 4.25Å; Y211-Y229 AromaticContact CD2-CG 3.56Å; Y211-Y229 HydrophobicContact CD2-CG 3.56Å; Y211-Y229 HydrophobicContact CE2-CG 4.28Å; Y211-Y229 HydrophobicContact CG-CD1 4.03Å; Y211-Y229 HydrophobicContact CG-CE1 4.44Å; Y211-Y229 HydrophobicContact CG-CG 4.4Å; Y214-Y229 AromaticContact CD1-CE2 3.95Å; Y214-Y229 HydrophobicContact CD1-CE2 3.95Å; Y214-Y229 AromaticContact CD2-CE2 3.91Å; Y214-Y229 HydrophobicContact CD2-CE2 3.91Å; Y214-Y229 HydrophobicContact CE1-CE2 4.43Å; Y214-Y229 HydrophobicContact CE2-CE2 4.4Å; Y214-Y229 AromaticContact CG-CE2 3.65Å; Y214-Y229 HydrophobicContact CG-CE2 3.65Å; T225-Y229 PolarHBondContact O-N 3.33Å; F226-Y229 PolarHBondContact O-N 3.37Å; K227-Y229 PolarHBondContact O-N 3.07Å; Y229-E231 PolarHBondContact O-N 3Å; Y229-Q232 PolarHBondContact O-N 3.49Å; Y229-M233 HydrophobicContact CD1-CG 4.39Å; Y229-M233 HydrophobicContact CD2-CG 3.98Å; Y229-M233 HydrophobicContact CE1-CG 4.16Å; Y229-M233 HydrophobicContact CE2-CG 3.73Å; Y229-M233 HydrophobicContact CE2-SD 4.31Å; Y229-M233 HydrophobicContact CG-CG 4.31Å; Y229-M233 WeakPolarHBondContact O-CB 2.97Å; Y229-M233 VanDerWaalsContact O-CG 3.26Å; Y229-M233 WeakPolarHBondContact O-CG 3.17Å; Y229-M233 PolarHBondContact O-N 3.19Å; Y229-L322 HydrophobicContact CD2-CD1 3.96Å; Y229-L322 HydrophobicContact CD2-CD2 4.22Å; Y229-L322 HydrophobicContact CE2-CD1 4.17Å |
| 230 | A | 95 | Very high | 84.9 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F226 K227 R234 | F226-A230 HydrophobicContact CE1-CB 4.42Å; F226-A230 HydrophobicContact CE2-CB 4.26Å; F226-A230 HydrophobicContact CZ-CB 4.13Å; F226-A230 VanDerWaalsContact O-CB 3.31Å; F226-A230 WeakPolarHBondContact O-CB 3.28Å; F226-A230 PolarHBondContact O-N 2.94Å; K227-A230 PolarHBondContact O-N 3.41Å; A230-R234 WeakPolarHBondContact O-CB 3.24Å; A230-R234 WeakPolarHBondContact O-CD 3.22Å; A230-R234 WeakPolarHBondContact O-CG 3.31Å; A230-R234 PolarHBondContact O-N 3.48Å |
| 231 | E | 93.2 | Very high | 83.1 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 176.7 | -73.3 | 175 | 167.2 | 0 | 0 | 111.7 | K227 Y229 K235 | K227-E231 WeakPolarHBondContact CE-OE1 3.19Å; K227-E231 HydrophobicContact CG-CG 4.34Å; K227-E231 IonicContact NZ-OE1 2.74Å; K227-E231 VanDerWaalsContact O-CB 3.3Å; K227-E231 WeakPolarHBondContact O-CB 3.34Å; K227-E231 VanDerWaalsContact O-CG 3.26Å; K227-E231 WeakPolarHBondContact O-CG 3.47Å; K227-E231 PolarHBondContact O-N 3.24Å; Y229-E231 PolarHBondContact O-N 3Å; E231-K235 WeakPolarHBondContact O-CG 3.47Å |
| 232 | Q | 94.2 | Very high | 81.3 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.5 | -41.5 | -176.4 | -68 | 169.8 | 28.2 | 0 | 0 | 112.4 | A228 Y229 R234 K235 L322 | A228-Q232 VanDerWaalsContact O-CB 3.25Å; A228-Q232 WeakPolarHBondContact O-CB 3.48Å; A228-Q232 WeakPolarHBondContact O-CG 3.15Å; A228-Q232 PolarHBondContact O-N 3.1Å; Y229-Q232 PolarHBondContact O-N 3.49Å; Q232-R234 PolarHBondContact O-N 3.34Å; Q232-K235 PolarHBondContact O-N 3.15Å; Q232-L322 HydrophobicContact CB-CD2 3.6Å; Q232-L322 VanDerWaalsContact OE1-CA 3.29Å |
| 233 | M | 92.3 | Very high | 79.2 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.4 | -18.8 | 178.7 | -68.1 | -62.9 | -72.1 | 0 | 0 | 113.7 | V99 W207 Y229 D320 L322 | V99-M233 HydrophobicContact CG2-CE 4.18Å; W207-M233 HydrophobicContact CH2-CB 4.32Å; W207-M233 HydrophobicContact CZ3-CB 3.88Å; Y229-M233 HydrophobicContact CD1-CG 4.39Å; Y229-M233 HydrophobicContact CD2-CG 3.98Å; Y229-M233 HydrophobicContact CE1-CG 4.16Å; Y229-M233 HydrophobicContact CE2-CG 3.73Å; Y229-M233 HydrophobicContact CE2-SD 4.31Å; Y229-M233 HydrophobicContact CG-CG 4.31Å; Y229-M233 WeakPolarHBondContact O-CB 2.97Å; Y229-M233 VanDerWaalsContact O-CG 3.26Å; Y229-M233 WeakPolarHBondContact O-CG 3.17Å; Y229-M233 PolarHBondContact O-N 3.19Å; M233-D320 HydrophobicContact SD-CB 4.37Å; M233-L322 HydrophobicContact CG-CD2 3.71Å; M233-L322 HydrophobicContact CG-CG 4.41Å; M233-L322 HydrophobicContact SD-CD1 4.11Å; M233-L322 HydrophobicContact SD-CD2 3.71Å; M233-L322 HydrophobicContact SD-CG 3.77Å |
| 234 | R | 89.8 | Confident | 77.6 | Confident | 99 Ų | 99 | 75.2 Ų | 75.2 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -17 | 176.6 | -74.4 | 175.2 | -171.3 | -170.1 | 5.6 | 113.7 | W207 A230 Q232 | W207-R234 HydrophobicContact CH2-CG 3.38Å; W207-R234 HydrophobicContact CZ2-CG 3.35Å; W207-R234 VanDerWaalsContact CZ2-NE 3.34Å; W207-R234 HydrophobicContact CZ3-CG 4.21Å; A230-R234 WeakPolarHBondContact O-CB 3.24Å; A230-R234 WeakPolarHBondContact O-CD 3.22Å; A230-R234 WeakPolarHBondContact O-CG 3.31Å; A230-R234 PolarHBondContact O-N 3.48Å; Q232-R234 PolarHBondContact O-N 3.34Å |
| 235 | K | 85 | Confident | 76.8 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 52% | 0.522 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -65.8 | 137 | -179.9 | -75.6 | 179.4 | 179.8 | -165.4 | 0 | 109.9 | E231 Q232 | E231-K235 WeakPolarHBondContact O-CG 3.47Å; Q232-K235 PolarHBondContact O-N 3.15Å |
| 236 | P | 68.5 | Low | 76.2 | Confident | 75 Ų | 75 | 80 Ų | 80 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | trans | -57.5 | 142.3 | 172.7 | -19.2 | 30.6 | 0 | 0 | 0 | 110.6 | D238 E239 | P236-D238 PolarHBondContact O-N 2.68Å; P236-D238 VanDerWaalsContact O-N 3.12Å; P236-E239 PolarHBondContact O-N 3.17Å | ||
| 237 | A | 61.2 | Low | 75.7 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -60.5 | -22.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E239 N240 | A237-E239 VanDerWaalsContact C-N 3.34Å; A237-E239 PolarHBondContact O-N 3.15Å; A237-N240 PolarHBondContact O-N 3.08Å |
| 238 | D | 56.3 | Low | 75.5 | Confident | 141 Ų | 141 | 84.5 Ų | 84.5 | 75% | 0.754 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -72.6 | -19.9 | -174.3 | -62.6 | -26.5 | 0 | 0 | 0 | 114 | P236 N240 | P236-D238 PolarHBondContact O-N 2.68Å; P236-D238 VanDerWaalsContact O-N 3.12Å; D238-N240 VanDerWaalsContact C-N 3.34Å |
| 239 | E | 53.5 | Low | 75.3 | Confident | 146 Ų | 146 | 85.2 Ų | 85.2 | 68% | 0.682 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -81.2 | -12.5 | 179.3 | -69.9 | -174.9 | 173 | 0 | 0 | 113.6 | P236 A237 | P236-E239 PolarHBondContact O-N 3.17Å; A237-E239 VanDerWaalsContact C-N 3.34Å; A237-E239 PolarHBondContact O-N 3.15Å |
| 240 | N | 50 | Low | 75.2 | Confident | 107 Ų | 107 | 87.2 Ų | 87.2 | 57% | 0.572 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -114.3 | 5.4 | -170.2 | -105.8 | 1.2 | 0 | 0 | 0 | 114.4 | A237 D238 G242 | A237-N240 PolarHBondContact O-N 3.08Å; D238-N240 VanDerWaalsContact C-N 3.34Å; N240-G242 VanDerWaalsContact C-N 3.27Å; N240-G242 PolarHBondContact O-N 3.03Å |
| 241 | S | 49.2 | Very low | 75.2 | Confident | 97 Ų | 97 | 91.9 Ų | 91.9 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | trans | -81 | 70.9 | -178.8 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | Q243 | S241-Q243 PolarHBondContact O-N 3.46Š| ||
| 242 | G | 51.8 | Low | 75.3 | Confident | 61 Ų | 61 | 90.8 Ų | 90.8 | 63% | 0.629 | 50% | 0.499 | S | S | * | . | trans | -59.8 | 128.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 108 | N240 E244 | N240-G242 VanDerWaalsContact C-N 3.27Å; N240-G242 PolarHBondContact O-N 3.03Å; G242-E244 PolarHBondContact O-N 3.34Å | ||
| 243 | Q | 49.5 | Very low | 75.3 | Confident | 206 Ų | 206 | 93 Ų | 93 | 96% | 0.963 | 51% | 0.505 | S | S | * | . | trans | -70.9 | 42.3 | -174.2 | -153.3 | 171.5 | 12.5 | 0 | 0 | 112.5 | S241 | S241-Q243 PolarHBondContact O-N 3.46Š| ||
| 244 | E | 60.9 | Low | 75.5 | Confident | 149 Ų | 149 | 94 Ų | 94 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | trans | -80.1 | 133.4 | 168.2 | -70.8 | -166.8 | 171.6 | 0 | 0 | 109 | G242 V246 | G242-E244 PolarHBondContact O-N 3.34Å; E244-V246 PolarHBondContact O-N 3.43Å | ||
| 245 | S | 80.9 | Confident | 75.8 | Confident | 78 Ų | 78 | 91.8 Ų | 91.8 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | trans | -58.8 | 110.2 | 172.5 | 174.2 | 0 | 0 | 0 | 0 | 109 | F247 G248 Y249 | S245-F247 PolarHBondContact O-N 3.23Å; S245-F247 VanDerWaalsContact O-N 3.14Å; S245-G248 WeakPolarHBondContact O-CA 3.36Å; S245-G248 PolarHBondContact O-N 3.26Å; S245-G248 PolarHBondContact OG-N 3.34Å; S245-Y249 PolarHBondContact O-N 3.08Å | ||
| 246 | V | 84.9 | Confident | 76.4 | Confident | 58 Ų | 58 | 91.6 Ų | 91.6 | 35% | 0.352 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -50.8 | -38.9 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | E244 Y249 V250 L319 | E244-V246 PolarHBondContact O-N 3.43Å; V246-Y249 PolarHBondContact O-N 2.74Å; V246-V250 HydrophobicContact CG1-CG2 4.44Å; V246-V250 VanDerWaalsContact O-CG2 3.29Å; V246-V250 WeakPolarHBondContact O-CG2 3.46Å; V246-V250 PolarHBondContact O-N 2.88Å; V246-L319 HydrophobicContact CG1-CD2 3.74Å |
| 247 | F | 87.2 | Confident | 77.7 | Confident | 151 Ų | 151 | 89.3 Ų | 89.3 | 66% | 0.662 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -47.3 | 175.2 | 179.9 | -99.6 | 0 | 0 | 0 | 112.1 | S245 Y249 V250 L251 | S245-F247 PolarHBondContact O-N 3.23Å; S245-F247 VanDerWaalsContact O-N 3.14Å; F247-Y249 VanDerWaalsContact C-N 3.33Å; F247-Y249 PolarHBondContact O-N 2.68Å; F247-V250 PolarHBondContact O-N 3.26Å; F247-L251 HydrophobicContact CE1-CD2 4.25Å; F247-L251 VanDerWaalsContact O-CB 3.3Å; F247-L251 WeakPolarHBondContact O-CB 3.24Å; F247-L251 PolarHBondContact O-N 3.39Å |
| 248 | G | 90.7 | Very high | 79.4 | Confident | 28 Ų | 28 | 90.8 Ų | 90.8 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S245 L251 V252 | S245-G248 WeakPolarHBondContact O-CA 3.36Å; S245-G248 PolarHBondContact O-N 3.26Å; S245-G248 PolarHBondContact OG-N 3.34Å; G248-L251 PolarHBondContact O-N 2.88Å; G248-V252 WeakPolarHBondContact O-CB 3.23Å; G248-V252 VanDerWaalsContact O-CG2 3.3Å; G248-V252 WeakPolarHBondContact O-CG2 3.39Å; G248-V252 PolarHBondContact O-N 3.27Å |
| 249 | Y | 91.4 | Very high | 81.4 | Confident | 37 Ų | 37 | 89.2 Ų | 89.2 | 15% | 0.145 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -59.1 | -52.4 | 174.3 | 174 | -90.3 | 0 | 0 | 0 | 111.6 | S245 V246 F247 L251 V252 R253 M315 T318 L319 | S245-Y249 PolarHBondContact O-N 3.08Å; V246-Y249 PolarHBondContact O-N 2.74Å; F247-Y249 VanDerWaalsContact C-N 3.33Å; F247-Y249 PolarHBondContact O-N 2.68Å; Y249-L251 VanDerWaalsContact C-N 3.31Å; Y249-L251 PolarHBondContact O-N 2.95Å; Y249-V252 PolarHBondContact O-N 3.17Å; Y249-R253 HydrophobicContact CD1-CG 4.26Å; Y249-R253 HydrophobicContact CD2-CG 4.19Å; Y249-R253 HydrophobicContact CE1-CG 3.93Å; Y249-R253 HydrophobicContact CE2-CG 3.88Å; Y249-R253 HydrophobicContact CG-CG 4.36Å; Y249-R253 WeakPolarHBondContact O-CB 3.39Å; Y249-R253 WeakPolarHBondContact O-CG 3.46Å; Y249-R253 PolarHBondContact O-N 3.07Å; Y249-M315 HydrophobicContact CD1-CG 4.48Å; Y249-M315 HydrophobicContact CE1-CG 3.69Å; Y249-T318 HydrophobicContact CE1-CG2 4.42Å; Y249-T318 HydrophobicContact CE2-CG2 4.25Å; Y249-T318 WeakPolarHBondContact OH-CB 3.06Å; Y249-T318 WeakPolarHBondContact OH-CG2 3.44Å; Y249-T318 PolarHBondContact OH-OG1 3.17Å; Y249-L319 HydrophobicContact CD1-CD2 4.16Å; Y249-L319 HydrophobicContact CE1-CD2 4.34Å; Y249-L319 HydrophobicContact CE1-CG 4.45Å |
| 250 | V | 93.4 | Very high | 83.5 | Confident | 43 Ų | 43 | 85.5 Ų | 85.5 | 26% | 0.261 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 179.8 | 171 | 0 | 0 | 0 | 0 | 111.1 | V246 F247 S254 M315 L319 | V246-V250 HydrophobicContact CG1-CG2 4.44Å; V246-V250 VanDerWaalsContact O-CG2 3.29Å; V246-V250 WeakPolarHBondContact O-CG2 3.46Å; V246-V250 PolarHBondContact O-N 2.88Å; F247-V250 PolarHBondContact O-N 3.26Å; V250-S254 WeakPolarHBondContact O-CB 3.38Å; V250-S254 PolarHBondContact O-N 3.25Å; V250-S254 PolarHBondContact O-OG 2.92Å; V250-M315 HydrophobicContact CG1-CE 4.47Å; V250-M315 HydrophobicContact CG1-SD 4.43Å; V250-L319 HydrophobicContact CG2-CD1 3.91Å; V250-L319 HydrophobicContact CG2-CD2 4.07Å |
| 251 | L | 94.6 | Very high | 85.7 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -51.2 | 179.7 | -177.8 | 64.3 | 0 | 0 | 0 | 111.4 | F247 G248 Y249 R253 S254 A255 | F247-L251 HydrophobicContact CE1-CD2 4.25Å; F247-L251 VanDerWaalsContact O-CB 3.3Å; F247-L251 WeakPolarHBondContact O-CB 3.24Å; F247-L251 PolarHBondContact O-N 3.39Å; G248-L251 PolarHBondContact O-N 2.88Å; Y249-L251 VanDerWaalsContact C-N 3.31Å; Y249-L251 PolarHBondContact O-N 2.95Å; L251-R253 VanDerWaalsContact C-N 3.34Å; L251-R253 PolarHBondContact O-N 3.3Å; L251-S254 PolarHBondContact O-N 2.96Å; L251-A255 VanDerWaalsContact O-CB 3.25Å; L251-A255 WeakPolarHBondContact O-CB 3.44Å; L251-A255 PolarHBondContact O-N 3.48Å |
| 252 | V | 95.4 | Very high | 87.9 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | -179.4 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | G248 Y249 R256 | G248-V252 WeakPolarHBondContact O-CB 3.23Å; G248-V252 VanDerWaalsContact O-CG2 3.3Å; G248-V252 WeakPolarHBondContact O-CG2 3.39Å; G248-V252 PolarHBondContact O-N 3.27Å; Y249-V252 PolarHBondContact O-N 3.17Å; V252-R256 WeakPolarHBondContact O-CB 3.21Å; V252-R256 PolarHBondContact O-N 3.28Å |
| 253 | R | 95.4 | Very high | 90.1 | Very high | 89 Ų | 89 | 83.5 Ų | 83.5 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.5 | -44.1 | 179.4 | -66.9 | -67.4 | 177.7 | 172.1 | 0.3 | 111.6 | Y249 L251 R256 V257 M315 | Y249-R253 HydrophobicContact CD1-CG 4.26Å; Y249-R253 HydrophobicContact CD2-CG 4.19Å; Y249-R253 HydrophobicContact CE1-CG 3.93Å; Y249-R253 HydrophobicContact CE2-CG 3.88Å; Y249-R253 HydrophobicContact CG-CG 4.36Å; Y249-R253 WeakPolarHBondContact O-CB 3.39Å; Y249-R253 WeakPolarHBondContact O-CG 3.46Å; Y249-R253 PolarHBondContact O-N 3.07Å; L251-R253 VanDerWaalsContact C-N 3.34Å; L251-R253 PolarHBondContact O-N 3.3Å; R253-R256 PolarHBondContact O-N 3.49Å; R253-V257 WeakPolarHBondContact O-CG2 3.34Å; R253-V257 PolarHBondContact O-N 2.9Å; R253-M315 HydrophobicContact CB-CB 4.34Å; R253-M315 HydrophobicContact CB-CG 3.78Å; R253-M315 HydrophobicContact CB-SD 3.47Å; R253-M315 WeakPolarHBondContact CB-SD 3.18Å; R253-M315 HydrophobicContact CG-CG 4.22Å; R253-M315 HydrophobicContact CG-SD 4.48Å |
| 254 | S | 95.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | V250 L251 R256 V257 I258 | V250-S254 WeakPolarHBondContact O-CB 3.38Å; V250-S254 PolarHBondContact O-N 3.25Å; V250-S254 PolarHBondContact O-OG 2.92Å; L251-S254 PolarHBondContact O-N 2.96Å; S254-R256 VanDerWaalsContact C-N 3.27Å; S254-R256 PolarHBondContact O-N 3.45Å; S254-V257 PolarHBondContact O-N 2.89Å; S254-V257 VanDerWaalsContact O-N 3.13Å; S254-I258 VanDerWaalsContact O-CG1 3.3Å; S254-I258 WeakPolarHBondContact O-CG1 3.3Å; S254-I258 PolarHBondContact O-N 3.39Å |
| 255 | A | 97.3 | Very high | 93.8 | Very high | 53 Ų | 53 | 67 Ų | 67 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L251 I258 L259 | L251-A255 VanDerWaalsContact O-CB 3.25Å; L251-A255 WeakPolarHBondContact O-CB 3.44Å; L251-A255 PolarHBondContact O-N 3.48Å; A255-I258 PolarHBondContact O-N 3.26Å; A255-L259 WeakPolarHBondContact O-CB 2.8Å; A255-L259 PolarHBondContact O-N 3.28Å |
| 256 | R | 96.6 | Very high | 94.4 | Very high | 117 Ų | 117 | 70 Ų | 70 | 44% | 0.442 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.5 | -174.1 | -179 | -60.1 | -172.1 | 1.5 | 112.5 | V252 R253 S254 L259 W260 | V252-R256 WeakPolarHBondContact O-CB 3.21Å; V252-R256 PolarHBondContact O-N 3.28Å; R253-R256 PolarHBondContact O-N 3.49Å; S254-R256 VanDerWaalsContact C-N 3.27Å; S254-R256 PolarHBondContact O-N 3.45Å; R256-L259 PolarHBondContact O-N 2.96Å; R256-W260 PolarHBondContact O-N 2.9Å; R256-W260 VanDerWaalsContact O-N 3.12Å |
| 257 | V | 96.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 67.9 Ų | 67.9 | 16% | 0.158 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.9 | 172 | 0 | 0 | 0 | 0 | 110.5 | R253 S254 L259 W260 W261 V308 | R253-V257 WeakPolarHBondContact O-CG2 3.34Å; R253-V257 PolarHBondContact O-N 2.9Å; S254-V257 PolarHBondContact O-N 2.89Å; S254-V257 VanDerWaalsContact O-N 3.13Å; V257-L259 VanDerWaalsContact C-N 3.34Å; V257-L259 PolarHBondContact O-N 2.94Å; V257-W260 PolarHBondContact O-N 2.97Å; V257-W261 WeakPolarHBondContact O-CB 3.17Å; V257-W261 PolarHBondContact O-N 2.87Å; V257-V308 HydrophobicContact CG1-CG1 4.22Å |
| 258 | I | 97 | Very high | 95.3 | Very high | 101 Ų | 101 | 60.7 Ų | 60.7 | 52% | 0.518 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 176.1 | -67.4 | 165.1 | 0 | 0 | 0 | 110.6 | S254 A255 W260 W261 V262 | S254-I258 VanDerWaalsContact O-CG1 3.3Å; S254-I258 WeakPolarHBondContact O-CG1 3.3Å; S254-I258 PolarHBondContact O-N 3.39Å; A255-I258 PolarHBondContact O-N 3.26Å; I258-W260 VanDerWaalsContact C-N 3.34Å; I258-W260 PolarHBondContact O-N 2.95Å; I258-W261 PolarHBondContact O-N 2.94Å; I258-V262 HydrophobicContact CG2-CG2 4.33Å; I258-V262 WeakPolarHBondContact O-CG2 3.15Å; I258-V262 PolarHBondContact O-N 3.21Å |
| 259 | L | 97.7 | Very high | 95.4 | Very high | 108 Ų | 108 | 60.1 Ų | 60.1 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.7 | -45.4 | 176.3 | 178.2 | 66.2 | 0 | 0 | 0 | 112 | A255 R256 V257 V262 L263 | A255-L259 WeakPolarHBondContact O-CB 2.8Å; A255-L259 PolarHBondContact O-N 3.28Å; R256-L259 PolarHBondContact O-N 2.96Å; V257-L259 VanDerWaalsContact C-N 3.34Å; V257-L259 PolarHBondContact O-N 2.94Å; L259-V262 PolarHBondContact O-N 3.47Å; L259-L263 PolarHBondContact O-N 3.3Å |
| 260 | W | 97.6 | Very high | 95.4 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 25% | 0.254 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68 | -36.7 | 177.4 | -65.8 | 128 | 0 | 0 | 0 | 112.6 | R256 V257 I258 L263 A264 V304 L307 V308 | R256-W260 PolarHBondContact O-N 2.9Å; R256-W260 VanDerWaalsContact O-N 3.12Å; V257-W260 PolarHBondContact O-N 2.97Å; I258-W260 VanDerWaalsContact C-N 3.34Å; I258-W260 PolarHBondContact O-N 2.95Å; W260-L263 HydrophobicContact CE3-CD2 3.75Å; W260-L263 HydrophobicContact CZ3-CD2 3.65Å; W260-L263 PolarHBondContact O-N 3.35Å; W260-A264 PolarHBondContact O-N 3.45Å; W260-V304 HydrophobicContact CB-CG1 4.2Å; W260-V304 HydrophobicContact CE3-CG1 4.24Å; W260-V304 HydrophobicContact CE3-CG2 4.44Å; W260-V304 WeakPolarHBondContact O-CG1 3.38Å; W260-L307 HydrophobicContact CB-CB 4.3Å; W260-L307 HydrophobicContact CD2-CB 4.5Å; W260-L307 HydrophobicContact CD2-CD1 3.52Å; W260-L307 VanDerWaalsContact CE2-CD1 3.45Å; W260-L307 HydrophobicContact CE3-CD1 3.96Å; W260-L307 HydrophobicContact CG-CB 3.96Å; W260-L307 HydrophobicContact CG-CD1 3.87Å; W260-L307 HydrophobicContact CH2-CD1 4.28Å; W260-L307 HydrophobicContact CZ2-CD1 3.86Å; W260-L307 HydrophobicContact CZ3-CD1 4.32Å; W260-V308 HydrophobicContact CB-CG2 3.68Å |
| 261 | W | 96.5 | Very high | 95.5 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 174.1 | 177.5 | 83.8 | 0 | 0 | 0 | 111.6 | L52 W65 V257 I258 L263 A264 E265 V308 | L52-W261 HydrophobicContact CD1-CH2 3.75Å; L52-W261 HydrophobicContact CD1-CZ2 4.43Å; L52-W261 HydrophobicContact CD1-CZ3 4.42Å; W65-W261 AromaticContact CH2-CD1 3.57Å; W65-W261 HydrophobicContact CH2-CG 4.42Å; W65-W261 AromaticContact CZ2-CD1 3.56Å; W65-W261 HydrophobicContact CZ2-CG 4.46Å; W65-W261 AromaticContact CZ2-NE1 3.83Å; V257-W261 WeakPolarHBondContact O-CB 3.17Å; V257-W261 PolarHBondContact O-N 2.87Å; I258-W261 PolarHBondContact O-N 2.94Å; W261-L263 VanDerWaalsContact C-N 3.3Å; W261-L263 PolarHBondContact O-N 2.99Å; W261-A264 PolarHBondContact O-N 3.08Å; W261-E265 HydrophobicContact CD2-CG 4.26Å; W261-E265 HydrophobicContact CH2-CG 4.22Å; W261-E265 HydrophobicContact CZ2-CG 3.8Å; W261-E265 PolarHBondContact O-N 3.42Å; W261-V308 HydrophobicContact CB-CG1 4.3Å; W261-V308 HydrophobicContact CB-CG2 4.06Å |
| 262 | V | 96.1 | Very high | 95.5 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 111 | I258 L259 Y266 | I258-V262 HydrophobicContact CG2-CG2 4.33Å; I258-V262 WeakPolarHBondContact O-CG2 3.15Å; I258-V262 PolarHBondContact O-N 3.21Å; L259-V262 PolarHBondContact O-N 3.47Å; V262-Y266 VanDerWaalsContact O-CB 3.3Å; V262-Y266 WeakPolarHBondContact O-CB 3.42Å; V262-Y266 PolarHBondContact O-N 2.98Å |
| 263 | L | 96.3 | Very high | 95.6 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 34% | 0.335 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 176.5 | -178.6 | 62 | 0 | 0 | 0 | 112 | L259 W260 W261 Y266 M267 V304 | L259-L263 PolarHBondContact O-N 3.3Å; W260-L263 HydrophobicContact CE3-CD2 3.75Å; W260-L263 HydrophobicContact CZ3-CD2 3.65Å; W260-L263 PolarHBondContact O-N 3.35Å; W261-L263 VanDerWaalsContact C-N 3.3Å; W261-L263 PolarHBondContact O-N 2.99Å; L263-Y266 PolarHBondContact O-N 3.16Å; L263-M267 HydrophobicContact CG-SD 4.44Å; L263-M267 VanDerWaalsContact O-CG 3.28Å; L263-M267 WeakPolarHBondContact O-CG 3.25Å; L263-M267 PolarHBondContact O-N 2.94Å; L263-V304 HydrophobicContact CB-CG1 4.33Å; L263-V304 HydrophobicContact CD2-CG1 4.33Å; L263-V304 HydrophobicContact CD2-CG2 3.89Å; L263-V304 HydrophobicContact CG-CG1 4.4Å |
| 264 | A | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W65 W260 W261 Y266 M267 I268 F301 V304 | W65-A264 HydrophobicContact CH2-CB 3.57Å; W65-A264 HydrophobicContact CZ2-CB 3.56Å; W65-A264 HydrophobicContact CZ3-CB 4.24Å; W260-A264 PolarHBondContact O-N 3.45Å; W261-A264 PolarHBondContact O-N 3.08Å; A264-Y266 PolarHBondContact O-N 3.37Å; A264-M267 PolarHBondContact O-N 3.34Å; A264-I268 PolarHBondContact O-N 3.22Å; A264-F301 HydrophobicContact CB-CE2 3.95Å; A264-V304 HydrophobicContact CB-CG1 3.93Å |
| 265 | E | 93.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.7 | -50.5 | 174.5 | -78 | -64 | 130.9 | 0 | 0 | 110.6 | L52 R58 W65 W261 M267 I268 H269 | L52-E265 HydrophobicContact CD1-CB 4.48Å; L52-E265 HydrophobicContact CD1-CG 4.29Å; R58-E265 IonicContact NE-OE1 2.69Å; R58-E265 IonicContact NE-OE2 3.07Å; R58-E265 IonicContact NH2-OE1 2.99Å; W65-E265 PolarHBondContact NE1-OE1 3.48Å; W261-E265 HydrophobicContact CD2-CG 4.26Å; W261-E265 HydrophobicContact CH2-CG 4.22Å; W261-E265 HydrophobicContact CZ2-CG 3.8Å; W261-E265 PolarHBondContact O-N 3.42Å; E265-M267 VanDerWaalsContact C-N 3.26Å; E265-M267 PolarHBondContact O-N 2.87Å; E265-I268 WeakPolarHBondContact O-CG1 3.42Å; E265-I268 PolarHBondContact O-N 2.89Å; E265-I268 VanDerWaalsContact O-N 3.12Å; E265-H269 VanDerWaalsContact C-CD2 3.48Å; E265-H269 PolarHBondContact O-CD2 2.89Å; E265-H269 PolarHBondContact O-N 3.35Å; E265-H269 IonicContact OE2-CD2 3.41Å; E265-H269 IonicContact OE2-CE1 3.2Å; E265-H269 IonicContact OE2-NE2 3.77Å; E265-H269 PolarHBondContact OE2-NE2 3.22Å |
| 266 | Y | 94 | Very high | 95.5 | Very high | 141 Ų | 141 | 40.7 Ų | 40.7 | 55% | 0.553 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -52.7 | -44.6 | 177.5 | 176.2 | -99.6 | 0 | 0 | 0 | 112.4 | V262 L263 A264 I268 H269 V270 | V262-Y266 VanDerWaalsContact O-CB 3.3Å; V262-Y266 WeakPolarHBondContact O-CB 3.42Å; V262-Y266 PolarHBondContact O-N 2.98Å; L263-Y266 PolarHBondContact O-N 3.16Å; A264-Y266 PolarHBondContact O-N 3.37Å; Y266-I268 PolarHBondContact O-N 3.16Å; Y266-H269 PolarHBondContact O-N 2.91Å; Y266-V270 HydrophobicContact CD1-CG2 4.19Å; Y266-V270 HydrophobicContact CD2-CG1 4.07Å; Y266-V270 HydrophobicContact CE1-CG1 4.39Å; Y266-V270 HydrophobicContact CE1-CG2 3.89Å; Y266-V270 HydrophobicContact CE2-CG1 3.66Å; Y266-V270 WeakPolarHBondContact O-CG1 3.44Å; Y266-V270 WeakPolarHBondContact O-CG2 3.43Å; Y266-V270 PolarHBondContact O-N 2.86Å; Y266-V270 VanDerWaalsContact O-N 3.13Å |
| 267 | M | 95.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 178.9 | -69.7 | 176.7 | 73.6 | 0 | 0 | 112.8 | L263 A264 E265 V270 M271 M273 A297 Q300 F301 | L263-M267 HydrophobicContact CG-SD 4.44Å; L263-M267 VanDerWaalsContact O-CG 3.28Å; L263-M267 WeakPolarHBondContact O-CG 3.25Å; L263-M267 PolarHBondContact O-N 2.94Å; A264-M267 PolarHBondContact O-N 3.34Å; E265-M267 VanDerWaalsContact C-N 3.26Å; E265-M267 PolarHBondContact O-N 2.87Å; M267-V270 PolarHBondContact O-N 3.45Å; M267-M271 HydrophobicContact CB-CE 3.51Å; M267-M271 HydrophobicContact CE-CE 3.7Å; M267-M271 HydrophobicContact CG-CE 3.55Å; M267-M271 WeakPolarHBondContact O-CB 3.2Å; M267-M271 PolarHBondContact O-N 3.48Å; M267-M271 HydrophobicContact SD-CE 4.5Å; M267-M273 HydrophobicContact CB-CE 3.87Å; M267-A297 WeakPolarHBondContact CE-O 3.22Å; M267-Q300 HydrophobicContact CE-CB 3.92Å; M267-F301 HydrophobicContact CB-CD2 4.17Å; M267-F301 HydrophobicContact CE-CB 3.81Å; M267-F301 HydrophobicContact SD-CB 4.47Å; M267-F301 HydrophobicContact SD-CD2 4.31Å |
| 268 | I | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.5 | -22.5 | 179.5 | 57.8 | 174 | 0 | 0 | 0 | 113.4 | R58 D59 A264 E265 Y266 Y272 M273 F301 | R58-I268 HydrophobicContact CG-CD1 3.7Å; R58-I268 HydrophobicContact CG-CG1 4.19Å; D59-I268 HydrophobicContact CB-CB 4.32Å; D59-I268 WeakPolarHBondContact CB-O 3.36Å; D59-I268 PolarHBondContact N-O 3.24Å; A264-I268 PolarHBondContact O-N 3.22Å; E265-I268 WeakPolarHBondContact O-CG1 3.42Å; E265-I268 PolarHBondContact O-N 2.89Å; E265-I268 VanDerWaalsContact O-N 3.12Å; Y266-I268 PolarHBondContact O-N 3.16Å; I268-Y272 WeakPolarHBondContact O-CD1 3.41Å; I268-M273 HydrophobicContact CB-CE 4.29Å; I268-M273 HydrophobicContact CG2-CE 3.33Å; I268-M273 HydrophobicContact CG2-SD 4.24Å; I268-F301 HydrophobicContact CG2-CD2 4.21Å; I268-F301 HydrophobicContact CG2-CE2 3.51Å; I268-F301 HydrophobicContact CG2-CZ 3.85Å |
| 269 | H | 93.2 | Very high | 94.9 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 7% | 0.069 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -79.6 | -25.1 | 173.6 | -68.1 | -67.8 | 0 | 0 | 0 | 113.1 | G51 K57 R58 E265 Y266 Y272 | G51-H269 WeakPolarHBondContact CA-CE1 3.49Å; K57-H269 WeakPolarHBondContact O-CA 3.41Å; K57-H269 PolarHBondContact O-ND1 3.3Å; K57-H269 VanDerWaalsContact O-ND1 3.17Å; R58-H269 WeakPolarHBondContact CB-CE1 3.42Å; E265-H269 VanDerWaalsContact C-CD2 3.48Å; E265-H269 PolarHBondContact O-CD2 2.89Å; E265-H269 PolarHBondContact O-N 3.35Å; E265-H269 IonicContact OE2-CD2 3.41Å; E265-H269 IonicContact OE2-CE1 3.2Å; E265-H269 IonicContact OE2-NE2 3.77Å; E265-H269 PolarHBondContact OE2-NE2 3.22Å; Y266-H269 PolarHBondContact O-N 2.91Å; H269-Y272 WeakPolarHBondContact O-CE1 3.48Å |
| 270 | V | 92.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -105.1 | -31.9 | -173.4 | -59.8 | 0 | 0 | 0 | 0 | 114.3 | H32 Y266 M267 | H32-V270 PolarHBondContact ND1-O 3.45Å; Y266-V270 HydrophobicContact CD1-CG2 4.19Å; Y266-V270 HydrophobicContact CD2-CG1 4.07Å; Y266-V270 HydrophobicContact CE1-CG1 4.39Å; Y266-V270 HydrophobicContact CE1-CG2 3.89Å; Y266-V270 HydrophobicContact CE2-CG1 3.66Å; Y266-V270 WeakPolarHBondContact O-CG1 3.44Å; Y266-V270 WeakPolarHBondContact O-CG2 3.43Å; Y266-V270 PolarHBondContact O-N 2.86Å; Y266-V270 VanDerWaalsContact O-N 3.13Å; M267-V270 PolarHBondContact O-N 3.45Å |
| 271 | M | 94.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 4% | 0.044 | 17% | 0.167 | C | C | . | . | trans | -109.4 | -20 | -170.2 | -71.3 | 179.8 | -70.6 | 0 | 0 | 115 | F28 L31 S35 M267 M273 A297 | F28-M271 HydrophobicContact CB-SD 4.24Å; F28-M271 HydrophobicContact CD1-SD 3.97Å; F28-M271 HydrophobicContact CG-SD 4.18Å; L31-M271 HydrophobicContact CD2-CB 3.84Å; L31-M271 HydrophobicContact CD2-CG 3.97Å; L31-M271 HydrophobicContact CD2-SD 3.92Å; L31-M271 HydrophobicContact CG-CB 4.27Å; L31-M271 HydrophobicContact CG-CG 4.36Å; S35-M271 WeakPolarHBondContact CB-O 3.36Å; S35-M271 PolarHBondContact OG-O 3Å; M267-M271 HydrophobicContact CB-CE 3.51Å; M267-M271 HydrophobicContact CE-CE 3.7Å; M267-M271 HydrophobicContact CG-CE 3.55Å; M267-M271 WeakPolarHBondContact O-CB 3.2Å; M267-M271 PolarHBondContact O-N 3.48Å; M267-M271 HydrophobicContact SD-CE 4.5Å; M271-M273 HydrophobicContact CB-CB 4.49Å; M271-M273 HydrophobicContact CB-SD 3.97Å; M271-M273 PolarHBondContact O-N 3.44Å; M271-A297 HydrophobicContact CE-CB 4.18Å; M271-A297 HydrophobicContact SD-CB 3.81Å | ||
| 272 | Y | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | 46.4 | 34.4 | -177.2 | -47.9 | -31.9 | 0 | 0 | 0 | 114 | K36 E39 L42 L48 K57 D59 I268 H269 H274 S275 I276 | K36-Y272 PolarHBondContact NZ-OH 3.41Å; E39-Y272 HydrophobicContact CB-CE2 4.19Å; E39-Y272 HydrophobicContact CG-CE2 3.83Å; E39-Y272 WeakPolarHBondContact OE2-CE2 3.44Å; E39-Y272 PolarHBondContact OE2-OH 2.83Å; L42-Y272 HydrophobicContact CD1-CD2 3.73Å; L42-Y272 HydrophobicContact CD1-CG 4.33Å; L48-Y272 HydrophobicContact CD1-CD2 4.19Å; L48-Y272 HydrophobicContact CD1-CE1 4.32Å; L48-Y272 HydrophobicContact CD1-CE2 3.97Å; L48-Y272 HydrophobicContact CD1-CG 4.46Å; K57-Y272 HydrophobicContact CB-CE1 4.42Å; K57-Y272 WeakPolarHBondContact CB-OH 3.35Å; D59-Y272 HydrophobicContact CB-CD1 3.97Å; D59-Y272 VanDerWaalsContact OD2-CA 3.28Å; D59-Y272 WeakPolarHBondContact OD2-CA 3Å; I268-Y272 WeakPolarHBondContact O-CD1 3.41Å; H269-Y272 WeakPolarHBondContact O-CE1 3.48Å; Y272-H274 PolarHBondContact O-N 2.69Å; Y272-S275 PolarHBondContact O-N 2.87Å; Y272-I276 WeakPolarHBondContact O-CB 3.26Å; Y272-I276 VanDerWaalsContact O-CG1 3.26Å; Y272-I276 WeakPolarHBondContact O-CG1 3.39Å; Y272-I276 PolarHBondContact O-N 3.36Å | ||
| 273 | M | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.7 | -26 | -170.5 | 59.4 | -73 | -166.5 | 0 | 0 | 113.1 | D59 M267 I268 M271 H277 L294 A297 L298 F301 | D59-M273 PolarHBondContact OD2-N 3.42Å; M267-M273 HydrophobicContact CB-CE 3.87Å; I268-M273 HydrophobicContact CB-CE 4.29Å; I268-M273 HydrophobicContact CG2-CE 3.33Å; I268-M273 HydrophobicContact CG2-SD 4.24Å; M271-M273 HydrophobicContact CB-CB 4.49Å; M271-M273 HydrophobicContact CB-SD 3.97Å; M271-M273 PolarHBondContact O-N 3.44Å; M273-H277 PolarHBondContact O-N 3.49Å; M273-H277 PolarHBondContact O-ND1 2.95Å; M273-L294 HydrophobicContact CB-CD1 3.82Å; M273-L294 WeakPolarHBondContact O-CD1 3.36Å; M273-A297 HydrophobicContact CB-CB 4.3Å; M273-L298 HydrophobicContact CB-CD2 4.18Å; M273-L298 HydrophobicContact CG-CD2 4.12Å; M273-F301 HydrophobicContact CE-CB 3.94Å; M273-F301 HydrophobicContact CE-CD1 4.39Å; M273-F301 HydrophobicContact CE-CD2 3.3Å; M273-F301 HydrophobicContact CE-CE2 3.85Å; M273-F301 HydrophobicContact CE-CG 3.61Å |
| 274 | H | 95.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -79.8 | -47.6 | 179.8 | -57.8 | 101.2 | 0 | 0 | 0 | 110.6 | D59 D62 Y272 I276 H277 S278 F301 | D59-H274 WeakPolarHBondContact OD2-CA 3.34Å; D59-H274 WeakPolarHBondContact OD2-CB 3.21Å; D59-H274 PolarHBondContact OD2-N 3.26Å; D59-H274 IonicContact OD2-ND1 3.56Å; D62-H274 HydrophobicContact CB-CB 4.5Å; D62-H274 IonicContact OD2-CD2 2.69Å; D62-H274 IonicContact OD2-NE2 3.23Å; D62-H274 PolarHBondContact OD2-NE2 2.9Å; Y272-H274 PolarHBondContact O-N 2.69Å; H274-I276 VanDerWaalsContact C-N 3.29Å; H274-I276 PolarHBondContact O-N 3.26Å; H274-H277 VanDerWaalsContact CA-ND1 3.34Å; H274-H277 WeakPolarHBondContact CA-ND1 3.39Å; H274-H277 AromaticContact CD2-CE1 3.78Å; H274-H277 PolarHBondContact O-CE1 3.34Å; H274-H277 PolarHBondContact O-N 3.01Å; H274-H277 PolarHBondContact O-ND1 2.79Å; H274-S278 PolarHBondContact O-N 2.81Å; H274-S278 VanDerWaalsContact O-N 3.11Å; H274-S278 PolarHBondContact O-OG 3.05Å; H274-S278 VanDerWaalsContact O-OG 3.06Å; H274-F301 AromaticContact CE1-CD1 3.26Å; H274-F301 WeakPolarHBondContact CE1-CD1 3.48Å; H274-F301 AromaticContact CE1-CE1 3.39Å; H274-F301 WeakPolarHBondContact CE1-CE1 3.38Å; H274-F301 AromaticContact CE1-CG 3.7Å; H274-F301 AromaticContact CE1-CZ 3.93Å; H274-F301 AromaticContact NE2-CD1 3.44Å; H274-F301 WeakPolarHBondContact NE2-CD1 3.27Å; H274-F301 AromaticContact NE2-CE1 3.79Å |
| 275 | S | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.8 | -40.4 | 172.6 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | F46 D59 S61 Y272 S278 | F46-S275 WeakPolarHBondContact CE2-O 3.3Å; F46-S275 WeakPolarHBondContact CZ-O 3.49Å; D59-S275 VanDerWaalsContact CG-OG 3.24Å; D59-S275 PolarHBondContact OD1-N 3.28Å; D59-S275 PolarHBondContact OD1-OG 3.13Å; D59-S275 PolarHBondContact OD2-N 3.47Å; S61-S275 PolarHBondContact OG-OG 3.36Å; S61-S275 VanDerWaalsContact OG-OG 3.14Å; Y272-S275 PolarHBondContact O-N 2.87Å; S275-S278 WeakPolarHBondContact CA-OG 3.43Å; S275-S278 PolarHBondContact O-OG 3.23Å |
| 276 | I | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | 179.6 | -72 | 168.5 | 0 | 0 | 0 | 111.9 | L31 F34 S35 L42 Y272 H274 S278 L286 L294 | L31-I276 HydrophobicContact CD1-CD1 4.03Å; F34-I276 HydrophobicContact CD1-CD1 4Å; F34-I276 HydrophobicContact CE1-CD1 4.27Å; F34-I276 HydrophobicContact CE1-CG1 4.49Å; F34-I276 HydrophobicContact CE1-CG2 4.5Å; S35-I276 VanDerWaalsContact OG-CD1 3.26Å; S35-I276 WeakPolarHBondContact OG-CD1 3.37Å; L42-I276 HydrophobicContact CD1-CD1 4.4Å; L42-I276 HydrophobicContact CD1-CG1 4.05Å; L42-I276 HydrophobicContact CD2-CG1 4.14Å; Y272-I276 WeakPolarHBondContact O-CB 3.26Å; Y272-I276 VanDerWaalsContact O-CG1 3.26Å; Y272-I276 WeakPolarHBondContact O-CG1 3.39Å; Y272-I276 PolarHBondContact O-N 3.36Å; H274-I276 VanDerWaalsContact C-N 3.29Å; H274-I276 PolarHBondContact O-N 3.26Å; I276-S278 VanDerWaalsContact C-N 3.32Å; I276-L286 HydrophobicContact CG2-CD1 3.9Å; I276-L294 HydrophobicContact CB-CD1 4.36Å; I276-L294 HydrophobicContact CG2-CD1 4.06Å; I276-L294 HydrophobicContact CG2-CD2 4.05Å |
| 277 | H | 93 | Very high | 94.7 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 11% | 0.106 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.8 | -18.2 | -178.4 | 87.7 | -102.6 | 0 | 0 | 0 | 113.3 | M273 H274 N279 I283 L294 L298 G454 H457 M458 | M273-H277 PolarHBondContact O-N 3.49Å; M273-H277 PolarHBondContact O-ND1 2.95Å; H274-H277 VanDerWaalsContact CA-ND1 3.34Å; H274-H277 WeakPolarHBondContact CA-ND1 3.39Å; H274-H277 AromaticContact CD2-CE1 3.78Å; H274-H277 PolarHBondContact O-CE1 3.34Å; H274-H277 PolarHBondContact O-N 3.01Å; H274-H277 PolarHBondContact O-ND1 2.79Å; H277-N279 PolarHBondContact O-N 3.16Å; H277-I283 VanDerWaalsContact O-CD1 3.31Å; H277-I283 WeakPolarHBondContact O-CD1 3.4Å; H277-L294 HydrophobicContact CB-CD2 4.28Å; H277-L298 HydrophobicContact CB-CD1 4.06Å; H277-L298 WeakPolarHBondContact ND1-CD2 3.37Å; H277-G454 VanDerWaalsContact CD2-CA 3.44Å; H277-G454 WeakPolarHBondContact CD2-CA 3.4Å; H277-H457 PolarHBondContact O-NE2 2.97Å; H277-H457 VanDerWaalsContact O-NE2 3.15Å; H277-M458 HydrophobicContact CB-CG 4.49Å |
| 278 | S | 91.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 31.3 Ų | 31.3 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.1 | 177.4 | 44.5 | 0 | 0 | 0 | 0 | 113.6 | F46 H274 S275 I276 | F46-S278 WeakPolarHBondContact CE1-OG 3.4Å; F46-S278 VanDerWaalsContact CZ-OG 3.27Å; F46-S278 WeakPolarHBondContact CZ-OG 3.22Å; H274-S278 PolarHBondContact O-N 2.81Å; H274-S278 VanDerWaalsContact O-N 3.11Å; H274-S278 PolarHBondContact O-OG 3.05Å; H274-S278 VanDerWaalsContact O-OG 3.06Å; S275-S278 WeakPolarHBondContact CA-OG 3.43Å; S275-S278 PolarHBondContact O-OG 3.23Å; I276-S278 VanDerWaalsContact C-N 3.32Å |
| 279 | N | 93.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -122 | 120.4 | 179.7 | 169.1 | -29.5 | 0 | 0 | 0 | 111.3 | E45 F46 H277 T281 Y282 I283 | E45-N279 VanDerWaalsContact CD-ND2 3.31Å; E45-N279 PolarHBondContact OE1-ND2 2.81Å; E45-N279 PolarHBondContact OE2-ND2 2.91Å; E45-N279 VanDerWaalsContact OE2-ND2 3.08Å; F46-N279 HydrophobicContact CE2-CB 4.29Å; F46-N279 HydrophobicContact CZ-CB 3.88Å; H277-N279 PolarHBondContact O-N 3.16Å; N279-T281 VanDerWaalsContact C-N 3.27Å; N279-T281 PolarHBondContact O-N 3.45Å; N279-T281 WeakPolarHBondContact OD1-CA 3.43Å; N279-T281 WeakPolarHBondContact OD1-CB 3.32Å; N279-T281 PolarHBondContact OD1-N 2.98Å; N279-T281 PolarHBondContact OD1-OG1 3.2Å; N279-Y282 HydrophobicContact CB-CD2 3.85Å; N279-Y282 HydrophobicContact CB-CE2 4.41Å; N279-Y282 PolarHBondContact O-N 2.95Å; N279-Y282 PolarHBondContact OD1-N 3.43Å; N279-I283 WeakPolarHBondContact O-CG1 3.31Å; N279-I283 PolarHBondContact O-N 3.43Å |
| 280 | E | 94.8 | Very high | 95 | Very high | 79 Ų | 79 | 35.2 Ų | 35.2 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57 | -37.6 | -176.6 | -66.3 | -165.5 | -167.6 | 0 | 0 | 113 | Y282 I283 E284 H457 R460 I461 | E280-Y282 PolarHBondContact O-N 2.98Å; E280-I283 PolarHBondContact O-N 3.39Å; E280-E284 WeakPolarHBondContact O-CG 3.49Å; E280-E284 PolarHBondContact O-N 3.41Å; E280-H457 HydrophobicContact CG-CB 4.18Å; E280-H457 WeakPolarHBondContact OE1-CB 3.43Å; E280-H457 IonicContact OE1-CG 3.12Å; E280-R460 IonicContact OE1-NH2 3.74Å; E280-R460 PolarHBondContact OE1-NH2 3.31Å; E280-R460 IonicContact OE2-NH2 2.66Å; E280-R460 PolarHBondContact OE2-NH2 3.35Å; E280-I461 HydrophobicContact CB-CD1 3.83Å; E280-I461 HydrophobicContact CG-CD1 3.83Å |
| 281 | T | 94.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 50% | 0.503 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.6 | -45 | -178.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | N279 I283 E284 M285 | N279-T281 VanDerWaalsContact C-N 3.27Å; N279-T281 PolarHBondContact O-N 3.45Å; N279-T281 WeakPolarHBondContact OD1-CA 3.43Å; N279-T281 WeakPolarHBondContact OD1-CB 3.32Å; N279-T281 PolarHBondContact OD1-N 2.98Å; N279-T281 PolarHBondContact OD1-OG1 3.2Å; T281-I283 VanDerWaalsContact C-N 3.33Å; T281-I283 PolarHBondContact O-N 3.19Å; T281-E284 PolarHBondContact O-N 3.33Å; T281-M285 HydrophobicContact CG2-CE 3.87Å; T281-M285 HydrophobicContact CG2-SD 4.09Å; T281-M285 VanDerWaalsContact O-CG 3.25Å; T281-M285 WeakPolarHBondContact O-CG 3.44Å; T281-M285 PolarHBondContact O-N 2.96Å |
| 282 | Y | 95.4 | Very high | 95.3 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 176.2 | -69.7 | -67.7 | 0 | 0 | 0 | 111.7 | F34 H38 L42 F46 N279 E280 E284 M285 L286 | F34-Y282 HydrophobicContact CE1-CD1 4.08Å; F34-Y282 HydrophobicContact CZ-CD1 4.07Å; H38-Y282 HydrophobicContact CB-CD1 4.44Å; H38-Y282 HydrophobicContact CB-CE1 3.88Å; H38-Y282 AromaticContact CD2-CE1 3.87Å; L42-Y282 HydrophobicContact CD2-CD2 4.03Å; L42-Y282 HydrophobicContact CD2-CE1 4.34Å; L42-Y282 HydrophobicContact CD2-CE2 3.67Å; F46-Y282 HydrophobicContact CE2-CE2 4.39Å; N279-Y282 HydrophobicContact CB-CD2 3.85Å; N279-Y282 HydrophobicContact CB-CE2 4.41Å; N279-Y282 PolarHBondContact O-N 2.95Å; N279-Y282 PolarHBondContact OD1-N 3.43Å; E280-Y282 PolarHBondContact O-N 2.98Å; Y282-E284 VanDerWaalsContact C-N 3.32Å; Y282-E284 PolarHBondContact O-N 3.23Å; Y282-M285 HydrophobicContact CD1-CE 3.72Å; Y282-M285 HydrophobicContact CE1-CE 4.18Å; Y282-M285 HydrophobicContact CG-CE 4.38Å; Y282-M285 PolarHBondContact O-N 2.84Å; Y282-L286 WeakPolarHBondContact O-CG 3.31Å; Y282-L286 PolarHBondContact O-N 3.17Å |
| 283 | I | 95.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 178.6 | -50.8 | 167.6 | 0 | 0 | 0 | 111.3 | H277 N279 E280 T281 L291 M458 I461 R465 | H277-I283 VanDerWaalsContact O-CD1 3.31Å; H277-I283 WeakPolarHBondContact O-CD1 3.4Å; N279-I283 WeakPolarHBondContact O-CG1 3.31Å; N279-I283 PolarHBondContact O-N 3.43Å; E280-I283 PolarHBondContact O-N 3.39Å; T281-I283 VanDerWaalsContact C-N 3.33Å; T281-I283 PolarHBondContact O-N 3.19Å; I283-L291 HydrophobicContact CG2-CD1 4.07Å; I283-M458 HydrophobicContact CD1-CG 4.34Å; I283-I461 HydrophobicContact CB-CD1 4.38Å; I283-I461 HydrophobicContact CB-CG2 4.28Å; I283-I461 HydrophobicContact CD1-CD1 4.34Å; I283-I461 HydrophobicContact CG2-CB 4.18Å; I283-I461 HydrophobicContact CG2-CG2 3.59Å; I283-R465 PolarHBondContact O-NH1 3.21Å |
| 284 | E | 95.2 | Very high | 95.5 | Very high | 99 Ų | 99 | 35.4 Ų | 35.4 | 46% | 0.463 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.9 | -37.1 | 177.1 | -71.6 | -162.2 | 153.7 | 0 | 0 | 112.4 | E280 T281 Y282 I461 R465 | E280-E284 WeakPolarHBondContact O-CG 3.49Å; E280-E284 PolarHBondContact O-N 3.41Å; T281-E284 PolarHBondContact O-N 3.33Å; Y282-E284 VanDerWaalsContact C-N 3.32Å; Y282-E284 PolarHBondContact O-N 3.23Å; E284-I461 HydrophobicContact CG-CD1 4.33Å; E284-I461 HydrophobicContact CG-CG2 4.14Å; E284-R465 PolarHBondContact O-NH1 3.3Å; E284-R465 PolarHBondContact O-NH2 3.38Å |
| 285 | M | 95.5 | Very high | 95.5 | Very high | 94 Ų | 94 | 35.2 Ų | 35.2 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -76.8 | -22.7 | -179.6 | -67.9 | -175.5 | -53.5 | 0 | 0 | 114.2 | F34 T281 Y282 P287 | F34-M285 HydrophobicContact CE2-CB 4.39Å; F34-M285 HydrophobicContact CZ-CB 4.4Å; T281-M285 HydrophobicContact CG2-CE 3.87Å; T281-M285 HydrophobicContact CG2-SD 4.09Å; T281-M285 VanDerWaalsContact O-CG 3.25Å; T281-M285 WeakPolarHBondContact O-CG 3.44Å; T281-M285 PolarHBondContact O-N 2.96Å; Y282-M285 HydrophobicContact CD1-CE 3.72Å; Y282-M285 HydrophobicContact CE1-CE 4.18Å; Y282-M285 HydrophobicContact CG-CE 4.38Å; Y282-M285 PolarHBondContact O-N 2.84Å; M285-P287 WeakPolarHBondContact O-CD 3.12Å |
| 286 | L | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -53.3 | 128.6 | -176.4 | -84.9 | 166 | 0 | 0 | 0 | 112.4 | L31 F34 I276 Y282 A290 L291 L294 R465 | L31-L286 HydrophobicContact CD1-CD2 4.16Å; F34-L286 HydrophobicContact CB-CD2 4.16Å; F34-L286 HydrophobicContact CD1-CD2 3.44Å; F34-L286 VanDerWaalsContact CD1-CD2 3.44Å; F34-L286 HydrophobicContact CD1-CG 4.34Å; F34-L286 HydrophobicContact CD2-CD2 3.87Å; F34-L286 HydrophobicContact CE1-CD2 3.66Å; F34-L286 HydrophobicContact CE1-CG 4.07Å; F34-L286 HydrophobicContact CE2-CD2 4.06Å; F34-L286 HydrophobicContact CE2-CG 4.36Å; F34-L286 HydrophobicContact CG-CD2 3.55Å; F34-L286 HydrophobicContact CZ-CD2 3.96Å; F34-L286 HydrophobicContact CZ-CG 4.06Å; I276-L286 HydrophobicContact CG2-CD1 3.9Å; Y282-L286 WeakPolarHBondContact O-CG 3.31Å; Y282-L286 PolarHBondContact O-N 3.17Å; L286-A290 HydrophobicContact CD2-CB 3.54Å; L286-L291 HydrophobicContact CB-CB 4.2Å; L286-L291 HydrophobicContact CD1-CD1 4.27Å; L286-L294 HydrophobicContact CD1-CB 4.16Å; L286-L294 HydrophobicContact CD1-CD2 3.56Å; L286-L294 HydrophobicContact CD1-CG 4.42Å; L286-R465 PolarHBondContact O-NH1 3.35Å; L286-R465 PolarHBondContact O-NH2 2.93Å |
| 287 | P | 96.1 | Very high | 95.6 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 40% | 0.396 | 20% | 0.199 | S | C | . | . | trans | -59 | 153.6 | 168.2 | -25 | 34.2 | 0 | 0 | 0 | 111.8 | M285 W289 A290 L291 | M285-P287 WeakPolarHBondContact O-CD 3.12Å; P287-W289 VanDerWaalsContact C-N 3.3Å; P287-W289 PolarHBondContact O-N 2.89Å; P287-W289 VanDerWaalsContact O-N 3.14Å; P287-A290 HydrophobicContact CB-CB 4.5Å; P287-A290 CarbonylContact O-C 3.56Å; P287-A290 WeakPolarHBondContact O-CA 3.36Å; P287-A290 PolarHBondContact O-N 3.24Å; P287-L291 PolarHBondContact O-N 2.83Å | ||
| 288 | P | 95.6 | Very high | 95.8 | Very high | 70 Ų | 70 | 35.6 Ų | 35.6 | 46% | 0.455 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -53.3 | -40.5 | -174 | -29.4 | 35.5 | 0 | 0 | 0 | 115.1 | L291 G292 V474 | P288-L291 PolarHBondContact O-N 3.24Å; P288-G292 PolarHBondContact O-N 3.22Å; P288-V474 HydrophobicContact CB-CG1 4.39Å; P288-V474 HydrophobicContact CB-CG2 4.12Å; P288-V474 HydrophobicContact CG-CG2 4.26Å |
| 289 | W | 96.4 | Very high | 95.9 | Very high | 98 Ų | 98 | 33.7 Ų | 33.7 | 37% | 0.371 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 176.2 | -80.1 | 108.3 | 0 | 0 | 0 | 113.2 | Y26 S27 Q30 P287 G292 G293 F481 | Y26-W289 AromaticContact CD1-CD2 3.67Å; Y26-W289 HydrophobicContact CD1-CD2 3.67Å; Y26-W289 AromaticContact CD1-CE2 3.97Å; Y26-W289 AromaticContact CD1-CE3 3.68Å; Y26-W289 HydrophobicContact CD1-CE3 3.68Å; Y26-W289 HydrophobicContact CD1-CG 4.14Å; Y26-W289 HydrophobicContact CD1-CH2 4.23Å; Y26-W289 HydrophobicContact CD1-CZ2 4.25Å; Y26-W289 AromaticContact CD1-CZ3 3.97Å; Y26-W289 HydrophobicContact CD1-CZ3 3.97Å; Y26-W289 HydrophobicContact CE1-CB 4.33Å; Y26-W289 AromaticContact CE1-CD1 3.85Å; Y26-W289 AromaticContact CE1-CD2 3.61Å; Y26-W289 HydrophobicContact CE1-CD2 3.61Å; Y26-W289 AromaticContact CE1-CE2 3.72Å; Y26-W289 HydrophobicContact CE1-CE3 4.14Å; Y26-W289 AromaticContact CE1-CG 3.7Å; Y26-W289 HydrophobicContact CE1-CG 3.7Å; Y26-W289 HydrophobicContact CE1-CZ2 4.29Å; Y26-W289 AromaticContact CE1-NE1 3.87Å; S27-W289 WeakPolarHBondContact CB-O 3.38Å; Q30-W289 HydrophobicContact CB-CB 4.06Å; Q30-W289 HydrophobicContact CG-CB 3.85Å; P287-W289 VanDerWaalsContact C-N 3.3Å; P287-W289 PolarHBondContact O-N 2.89Å; P287-W289 VanDerWaalsContact O-N 3.14Å; W289-G292 PolarHBondContact O-N 2.94Å; W289-G293 PolarHBondContact O-N 3.37Å; W289-F481 HydrophobicContact CH2-CD2 4.12Å; W289-F481 AromaticContact CH2-CE2 3.36Å; W289-F481 HydrophobicContact CH2-CE2 3.36Å; W289-F481 AromaticContact CH2-CZ 3.69Å; W289-F481 HydrophobicContact CH2-CZ 3.69Å; W289-F481 HydrophobicContact CZ2-CE2 4.05Å; W289-F481 HydrophobicContact CZ2-CZ 4.39Å; W289-F481 HydrophobicContact CZ3-CE2 4.21Å |
| 290 | A | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71 | -33.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q30 F34 L286 P287 G293 L294 | Q30-A290 HydrophobicContact CB-CB 4.16Å; F34-A290 HydrophobicContact CB-CB 4.47Å; L286-A290 HydrophobicContact CD2-CB 3.54Å; P287-A290 HydrophobicContact CB-CB 4.5Å; P287-A290 CarbonylContact O-C 3.56Å; P287-A290 WeakPolarHBondContact O-CA 3.36Å; P287-A290 PolarHBondContact O-N 3.24Å; A290-G293 CarbonylContact O-C 3.58Å; A290-G293 PolarHBondContact O-N 2.8Å; A290-L294 WeakPolarHBondContact O-CB 3.43Å; A290-L294 PolarHBondContact O-N 2.71Å |
| 291 | L | 97.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 171.9 | -178.2 | 65.9 | 0 | 0 | 0 | 111.5 | I283 L286 P287 P288 G293 L294 A295 F462 R465 V466 | I283-L291 HydrophobicContact CG2-CD1 4.07Å; L286-L291 HydrophobicContact CB-CB 4.2Å; L286-L291 HydrophobicContact CD1-CD1 4.27Å; P287-L291 PolarHBondContact O-N 2.83Å; P288-L291 PolarHBondContact O-N 3.24Å; L291-G293 VanDerWaalsContact C-N 3.33Å; L291-L294 PolarHBondContact O-N 2.86Å; L291-A295 PolarHBondContact O-N 3.5Å; L291-F462 HydrophobicContact CD1-CD2 4.06Å; L291-F462 HydrophobicContact CD2-CD2 4.29Å; L291-F462 HydrophobicContact CG-CD2 4.01Å; L291-F462 HydrophobicContact CG-CE2 4.11Å; L291-R465 HydrophobicContact CD2-CB 3.99Å; L291-V466 HydrophobicContact CD2-CG2 4.07Å |
| 292 | G | 95.8 | Very high | 96.3 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 28% | 0.278 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P288 W289 A295 L296 | P288-G292 PolarHBondContact O-N 3.22Å; W289-G292 PolarHBondContact O-N 2.94Å; G292-A295 PolarHBondContact O-N 3.32Å; G292-L296 WeakPolarHBondContact O-CG 3.31Å; G292-L296 PolarHBondContact O-N 2.92Å |
| 293 | G | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W289 A290 L291 L296 A297 | W289-G293 PolarHBondContact O-N 3.37Å; A290-G293 CarbonylContact O-C 3.58Å; A290-G293 PolarHBondContact O-N 2.8Å; L291-G293 VanDerWaalsContact C-N 3.33Å; G293-L296 PolarHBondContact O-N 2.9Å; G293-A297 WeakPolarHBondContact O-CB 3.41Å; G293-A297 PolarHBondContact O-N 2.98Å |
| 294 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 175.2 | 179.6 | 69.1 | 0 | 0 | 0 | 110.5 | L31 M273 I276 H277 L286 A290 L291 L296 A297 L298 M458 | L31-L294 HydrophobicContact CD1-CB 4.12Å; L31-L294 HydrophobicContact CD1-CD1 4.33Å; L31-L294 HydrophobicContact CD2-CB 4.42Å; M273-L294 HydrophobicContact CB-CD1 3.82Å; M273-L294 WeakPolarHBondContact O-CD1 3.36Å; I276-L294 HydrophobicContact CB-CD1 4.36Å; I276-L294 HydrophobicContact CG2-CD1 4.06Å; I276-L294 HydrophobicContact CG2-CD2 4.05Å; H277-L294 HydrophobicContact CB-CD2 4.28Å; L286-L294 HydrophobicContact CD1-CB 4.16Å; L286-L294 HydrophobicContact CD1-CD2 3.56Å; L286-L294 HydrophobicContact CD1-CG 4.42Å; A290-L294 WeakPolarHBondContact O-CB 3.43Å; A290-L294 PolarHBondContact O-N 2.71Å; L291-L294 PolarHBondContact O-N 2.86Å; L294-L296 VanDerWaalsContact C-N 3.35Å; L294-L296 PolarHBondContact O-N 3.23Å; L294-A297 PolarHBondContact O-N 2.73Å; L294-L298 HydrophobicContact CD1-CD1 4.23Å; L294-L298 HydrophobicContact CD1-CG 4.33Å; L294-L298 HydrophobicContact CG-CD1 4.08Å; L294-L298 WeakPolarHBondContact O-CG 3.33Å; L294-L298 PolarHBondContact O-N 2.89Å; L294-M458 HydrophobicContact CD2-CE 4.15Å |
| 295 | A | 96.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L291 G292 V299 I446 L450 F462 | L291-A295 PolarHBondContact O-N 3.5Å; G292-A295 PolarHBondContact O-N 3.32Å; A295-V299 WeakPolarHBondContact O-CG2 3.44Å; A295-V299 PolarHBondContact O-N 3.41Å; A295-I446 HydrophobicContact CB-CG2 4.06Å; A295-L450 HydrophobicContact CB-CD1 3.82Å; A295-L450 HydrophobicContact CB-CD2 4.04Å; A295-L450 HydrophobicContact CB-CG 4.45Å; A295-F462 HydrophobicContact CB-CD2 4.37Å; A295-F462 HydrophobicContact CB-CE2 3.65Å; A295-F462 HydrophobicContact CB-CZ 4.21Å |
| 296 | L | 95.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 20 Ų | 20 | 15% | 0.147 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 175.6 | -69.9 | 171.6 | 0 | 0 | 0 | 111.3 | F28 G292 G293 L294 L298 V299 Q300 I446 | F28-L296 HydrophobicContact CE1-CB 3.68Å; F28-L296 HydrophobicContact CZ-CB 4.07Å; G292-L296 WeakPolarHBondContact O-CG 3.31Å; G292-L296 PolarHBondContact O-N 2.92Å; G293-L296 PolarHBondContact O-N 2.9Å; L294-L296 VanDerWaalsContact C-N 3.35Å; L294-L296 PolarHBondContact O-N 3.23Å; L296-L298 PolarHBondContact O-N 3.47Å; L296-V299 PolarHBondContact O-N 3.23Å; L296-Q300 WeakPolarHBondContact O-CB 3.33Å; L296-Q300 VanDerWaalsContact O-CG 3.25Å; L296-Q300 WeakPolarHBondContact O-CG 3.45Å; L296-Q300 PolarHBondContact O-N 3.44Å; L296-I446 HydrophobicContact CD2-CD1 4.4Å |
| 297 | A | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F28 L31 M267 M271 M273 G293 L294 Q300 F301 | F28-A297 HydrophobicContact CD1-CB 4.29Å; F28-A297 HydrophobicContact CE1-CB 3.93Å; L31-A297 HydrophobicContact CD2-CB 3.83Å; M267-A297 WeakPolarHBondContact CE-O 3.22Å; M271-A297 HydrophobicContact CE-CB 4.18Å; M271-A297 HydrophobicContact SD-CB 3.81Å; M273-A297 HydrophobicContact CB-CB 4.3Å; G293-A297 WeakPolarHBondContact O-CB 3.41Å; G293-A297 PolarHBondContact O-N 2.98Å; L294-A297 PolarHBondContact O-N 2.73Å; A297-Q300 PolarHBondContact O-N 3.41Å; A297-F301 WeakPolarHBondContact O-CB 3.31Å; A297-F301 PolarHBondContact O-N 3.3Å |
| 298 | L | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.7 | -48.6 | 176.4 | -70.1 | 169.8 | 0 | 0 | 0 | 111.7 | M273 H277 L294 L296 F301 F302 L450 L453 M458 | M273-L298 HydrophobicContact CB-CD2 4.18Å; M273-L298 HydrophobicContact CG-CD2 4.12Å; H277-L298 HydrophobicContact CB-CD1 4.06Å; H277-L298 WeakPolarHBondContact ND1-CD2 3.37Å; L294-L298 HydrophobicContact CD1-CD1 4.23Å; L294-L298 HydrophobicContact CD1-CG 4.33Å; L294-L298 HydrophobicContact CG-CD1 4.08Å; L294-L298 WeakPolarHBondContact O-CG 3.33Å; L294-L298 PolarHBondContact O-N 2.89Å; L296-L298 PolarHBondContact O-N 3.47Å; L298-F301 PolarHBondContact O-N 3.47Å; L298-F302 WeakPolarHBondContact O-CB 3.3Å; L298-F302 PolarHBondContact O-N 2.99Å; L298-L450 HydrophobicContact CB-CD2 4.41Å; L298-L450 HydrophobicContact CD1-CD2 3.92Å; L298-L453 HydrophobicContact CB-CD1 4.12Å; L298-M458 HydrophobicContact CD1-CE 4.39Å |
| 299 | V | 95.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 16 Ų | 16 | 7% | 0.073 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.1 | -38.5 | -179.4 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | A295 L296 Y303 V331 N449 L453 | A295-V299 WeakPolarHBondContact O-CG2 3.44Å; A295-V299 PolarHBondContact O-N 3.41Å; L296-V299 PolarHBondContact O-N 3.23Å; V299-Y303 PolarHBondContact O-N 2.96Å; V299-Y303 VanDerWaalsContact O-N 3.1Å; V299-V331 HydrophobicContact CG1-CB 4.19Å; V299-V331 HydrophobicContact CG1-CG2 3.93Å; V299-N449 HydrophobicContact CG2-CB 3.97Å; V299-L453 HydrophobicContact CG2-CD1 4.32Å |
| 300 | Q | 95.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 12 Ų | 12 | 12% | 0.117 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.9 | -41.7 | 174.8 | -69.2 | -51.6 | -37.1 | 0 | 0 | 112.2 | F28 M267 L296 A297 F302 Y303 V304 V331 S332 | F28-Q300 HydrophobicContact CZ-CG 4.16Å; M267-Q300 HydrophobicContact CE-CB 3.92Å; L296-Q300 WeakPolarHBondContact O-CB 3.33Å; L296-Q300 VanDerWaalsContact O-CG 3.25Å; L296-Q300 WeakPolarHBondContact O-CG 3.45Å; L296-Q300 PolarHBondContact O-N 3.44Å; A297-Q300 PolarHBondContact O-N 3.41Å; Q300-F302 VanDerWaalsContact C-N 3.32Å; Q300-F302 PolarHBondContact O-N 2.7Å; Q300-Y303 WeakPolarHBondContact O-CB 3.4Å; Q300-Y303 PolarHBondContact O-N 2.94Å; Q300-V304 WeakPolarHBondContact O-CG2 3.5Å; Q300-V304 PolarHBondContact O-N 3.41Å; Q300-V331 VanDerWaalsContact NE2-CG2 3.35Å; Q300-S332 PolarHBondContact NE2-OG 3.47Å |
| 301 | F | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 178.8 | -178 | -93.9 | 0 | 0 | 0 | 110.2 | D62 W65 A264 M267 I268 M273 H274 A297 L298 Y303 V304 K305 | D62-F301 HydrophobicContact CB-CE1 4.14Å; W65-F301 HydrophobicContact CB-CE1 4.17Å; W65-F301 HydrophobicContact CB-CZ 3.98Å; W65-F301 HydrophobicContact CD2-CZ 4.02Å; W65-F301 HydrophobicContact CG-CE1 4.43Å; W65-F301 AromaticContact CG-CZ 3.77Å; W65-F301 HydrophobicContact CG-CZ 3.77Å; A264-F301 HydrophobicContact CB-CE2 3.95Å; M267-F301 HydrophobicContact CB-CD2 4.17Å; M267-F301 HydrophobicContact CE-CB 3.81Å; M267-F301 HydrophobicContact SD-CB 4.47Å; M267-F301 HydrophobicContact SD-CD2 4.31Å; I268-F301 HydrophobicContact CG2-CD2 4.21Å; I268-F301 HydrophobicContact CG2-CE2 3.51Å; I268-F301 HydrophobicContact CG2-CZ 3.85Å; M273-F301 HydrophobicContact CE-CB 3.94Å; M273-F301 HydrophobicContact CE-CD1 4.39Å; M273-F301 HydrophobicContact CE-CD2 3.3Å; M273-F301 HydrophobicContact CE-CE2 3.85Å; M273-F301 HydrophobicContact CE-CG 3.61Å; H274-F301 AromaticContact CE1-CD1 3.26Å; H274-F301 WeakPolarHBondContact CE1-CD1 3.48Å; H274-F301 AromaticContact CE1-CE1 3.39Å; H274-F301 WeakPolarHBondContact CE1-CE1 3.38Å; H274-F301 AromaticContact CE1-CG 3.7Å; H274-F301 AromaticContact CE1-CZ 3.93Å; H274-F301 AromaticContact NE2-CD1 3.44Å; H274-F301 WeakPolarHBondContact NE2-CD1 3.27Å; H274-F301 AromaticContact NE2-CE1 3.79Å; A297-F301 WeakPolarHBondContact O-CB 3.31Å; A297-F301 PolarHBondContact O-N 3.3Å; L298-F301 PolarHBondContact O-N 3.47Å; F301-Y303 VanDerWaalsContact C-N 3.29Å; F301-Y303 PolarHBondContact O-N 3.48Å; F301-V304 PolarHBondContact O-N 2.99Å; F301-K305 HydrophobicContact CE1-CB 4.41Å; F301-K305 HydrophobicContact CE1-CD 4.31Å; F301-K305 WeakPolarHBondContact O-CB 3.41Å; F301-K305 PolarHBondContact O-N 3.19Å |
| 302 | F | 96.3 | Very high | 96.3 | Very high | 25 Ų | 25 | 14.2 Ų | 14.2 | 11% | 0.11 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56.8 | -42.9 | 173.9 | -171.2 | -113.2 | 0 | 0 | 0 | 112.1 | L298 Q300 Y306 F344 F452 L453 | L298-F302 WeakPolarHBondContact O-CB 3.3Å; L298-F302 PolarHBondContact O-N 2.99Å; Q300-F302 VanDerWaalsContact C-N 3.32Å; Q300-F302 PolarHBondContact O-N 2.7Å; F302-Y306 HydrophobicContact CD2-CD2 4.23Å; F302-Y306 AromaticContact CD2-CE2 3.88Å; F302-Y306 HydrophobicContact CD2-CE2 3.88Å; F302-Y306 HydrophobicContact CE1-CE2 4.4Å; F302-Y306 AromaticContact CE2-CD2 4Å; F302-Y306 HydrophobicContact CE2-CD2 4Å; F302-Y306 AromaticContact CE2-CE2 3.27Å; F302-Y306 HydrophobicContact CE2-CE2 3.27Å; F302-Y306 AromaticContact CE2-CZ 3.88Å; F302-Y306 HydrophobicContact CZ-CD2 4.19Å; F302-Y306 AromaticContact CZ-CE2 3.57Å; F302-Y306 HydrophobicContact CZ-CE2 3.57Å; F302-Y306 AromaticContact CZ-CZ 3.82Å; F302-Y306 VanDerWaalsContact O-CD2 3.28Å; F302-Y306 WeakPolarHBondContact O-CD2 3.17Å; F302-Y306 PolarHBondContact O-N 2.81Å; F302-F344 AromaticContact CD1-CE1 3.93Å; F302-F344 HydrophobicContact CD1-CE1 3.93Å; F302-F344 AromaticContact CD1-CE2 4Å; F302-F344 HydrophobicContact CD1-CE2 4Å; F302-F344 AromaticContact CD1-CZ 3.3Å; F302-F344 HydrophobicContact CD1-CZ 3.3Å; F302-F344 HydrophobicContact CE1-CD1 4.36Å; F302-F344 AromaticContact CE1-CE1 3.28Å; F302-F344 HydrophobicContact CE1-CE1 3.28Å; F302-F344 HydrophobicContact CE1-CE2 4.19Å; F302-F344 AromaticContact CE1-CZ 3.18Å; F302-F344 HydrophobicContact CE1-CZ 3.18Å; F302-F344 HydrophobicContact CG-CZ 4.34Å; F302-F344 HydrophobicContact CZ-CE1 4.03Å; F302-F344 HydrophobicContact CZ-CZ 4.15Å; F302-F452 HydrophobicContact CE1-CE1 4.32Å; F302-F452 HydrophobicContact CE2-CE1 4.01Å; F302-F452 AromaticContact CZ-CE1 3.71Å; F302-F452 HydrophobicContact CZ-CE1 3.71Å; F302-L453 HydrophobicContact CB-CD1 4.04Å; F302-L453 HydrophobicContact CB-CD2 3.98Å; F302-L453 HydrophobicContact CD1-CD2 4.28Å; F302-L453 HydrophobicContact CD2-CD2 3.43Å; F302-L453 VanDerWaalsContact CD2-CD2 3.43Å; F302-L453 HydrophobicContact CE2-CD2 3.93Å; F302-L453 HydrophobicContact CG-CD1 4.41Å; F302-L453 HydrophobicContact CG-CD2 3.65Å |
| 303 | Y | 96.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 13.1 Ų | 13.1 | 9% | 0.094 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.5 | -52.2 | 173.4 | 167.1 | -116.8 | 0 | 0 | 0 | 113.2 | V299 Q300 F301 K305 Y306 L307 P328 R329 C330 V331 F344 | V299-Y303 PolarHBondContact O-N 2.96Å; V299-Y303 VanDerWaalsContact O-N 3.1Å; Q300-Y303 WeakPolarHBondContact O-CB 3.4Å; Q300-Y303 PolarHBondContact O-N 2.94Å; F301-Y303 VanDerWaalsContact C-N 3.29Å; F301-Y303 PolarHBondContact O-N 3.48Å; Y303-K305 PolarHBondContact O-N 3.05Å; Y303-Y306 PolarHBondContact O-N 3.4Å; Y303-L307 HydrophobicContact CE1-CD1 3.85Å; Y303-L307 HydrophobicContact CE2-CD1 4.04Å; Y303-L307 HydrophobicContact CE2-CD2 3.97Å; Y303-L307 HydrophobicContact CE2-CG 4.02Å; Y303-L307 PolarHBondContact O-N 2.82Å; Y303-P328 HydrophobicContact CD2-CB 3.81Å; Y303-P328 HydrophobicContact CE2-CB 3.77Å; Y303-P328 WeakPolarHBondContact CE2-O 3.37Å; Y303-R329 VanDerWaalsContact CE2-C 3.46Å; Y303-R329 WeakPolarHBondContact CE2-O 3.43Å; Y303-C330 HydrophobicContact CE1-CB 4.31Å; Y303-C330 VanDerWaalsContact CZ-CA 3.42Å; Y303-C330 WeakPolarHBondContact OH-CA 3.46Å; Y303-C330 PolarHBondContact OH-N 2.82Å; Y303-V331 HydrophobicContact CD1-CG2 4.34Å; Y303-V331 HydrophobicContact CD2-CG1 4.12Å; Y303-V331 HydrophobicContact CG-CG1 4.07Å; Y303-V331 HydrophobicContact CG-CG2 4.07Å; Y303-F344 HydrophobicContact CD2-CE2 4.47Å |
| 304 | V | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.024 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | -177.9 | 176.9 | 0 | 0 | 0 | 0 | 111 | W260 L263 A264 Q300 F301 Y306 L307 V308 | W260-V304 HydrophobicContact CB-CG1 4.2Å; W260-V304 HydrophobicContact CE3-CG1 4.24Å; W260-V304 HydrophobicContact CE3-CG2 4.44Å; W260-V304 WeakPolarHBondContact O-CG1 3.38Å; L263-V304 HydrophobicContact CB-CG1 4.33Å; L263-V304 HydrophobicContact CD2-CG1 4.33Å; L263-V304 HydrophobicContact CD2-CG2 3.89Å; L263-V304 HydrophobicContact CG-CG1 4.4Å; A264-V304 HydrophobicContact CB-CG1 3.93Å; Q300-V304 WeakPolarHBondContact O-CG2 3.5Å; Q300-V304 PolarHBondContact O-N 3.41Å; F301-V304 PolarHBondContact O-N 2.99Å; V304-Y306 VanDerWaalsContact C-N 3.3Å; V304-Y306 PolarHBondContact O-N 3.18Å; V304-L307 WeakPolarHBondContact O-CB 3.42Å; V304-L307 PolarHBondContact O-N 3Å; V304-L307 VanDerWaalsContact O-N 3.09Å; V304-V308 PolarHBondContact O-N 2.92Å |
| 305 | K | 95.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.017 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -51.2 | -48.7 | 174.2 | 168.3 | 166.5 | 59.6 | 173.3 | 0 | 111.2 | D62 E64 W65 F301 Y303 L307 V308 L309 | D62-K305 IonicContact OD1-NZ 3.89Å; D62-K305 PolarHBondContact OD1-NZ 3.01Å; D62-K305 IonicContact OD2-NZ 3.06Å; D62-K305 PolarHBondContact OD2-NZ 3.23Å; D62-K305 VanDerWaalsContact OD2-NZ 3.14Å; E64-K305 HydrophobicContact CB-CD 4.45Å; E64-K305 HydrophobicContact CG-CD 4.23Å; E64-K305 WeakPolarHBondContact OE2-CE 3.41Å; E64-K305 IonicContact OE2-NZ 3.27Å; E64-K305 PolarHBondContact OE2-NZ 2.72Å; W65-K305 HydrophobicContact CB-CD 4.27Å; W65-K305 HydrophobicContact CE3-CB 4.15Å; W65-K305 HydrophobicContact CE3-CD 4.13Å; W65-K305 HydrophobicContact CE3-CG 3.83Å; W65-K305 HydrophobicContact CZ3-CB 4.33Å; W65-K305 HydrophobicContact CZ3-CG 4.25Å; F301-K305 HydrophobicContact CE1-CB 4.41Å; F301-K305 HydrophobicContact CE1-CD 4.31Å; F301-K305 WeakPolarHBondContact O-CB 3.41Å; F301-K305 PolarHBondContact O-N 3.19Å; Y303-K305 PolarHBondContact O-N 3.05Å; K305-L307 VanDerWaalsContact C-N 3.34Å; K305-L307 PolarHBondContact O-N 3.35Å; K305-V308 WeakPolarHBondContact O-CB 3.36Å; K305-V308 PolarHBondContact O-N 3.42Å; K305-V308 VanDerWaalsContact O-N 3.14Å; K305-L309 HydrophobicContact CD-CD1 4.21Å; K305-L309 HydrophobicContact CG-CD1 3.62Å; K305-L309 HydrophobicContact CG-CG 4.23Å; K305-L309 WeakPolarHBondContact O-CG 3.42Å; K305-L309 PolarHBondContact O-N 3.07Å |
| 306 | Y | 96.3 | Very high | 96.2 | Very high | 33 Ų | 33 | 14.5 Ų | 14.5 | 13% | 0.129 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -71.9 | -25.2 | -178.8 | -84.1 | -113 | 0 | 0 | 0 | 113.4 | E64 F302 Y303 V304 V308 F310 F344 | E64-Y306 PolarHBondContact OE1-OH 3.48Å; F302-Y306 HydrophobicContact CD2-CD2 4.23Å; F302-Y306 AromaticContact CD2-CE2 3.88Å; F302-Y306 HydrophobicContact CD2-CE2 3.88Å; F302-Y306 HydrophobicContact CE1-CE2 4.4Å; F302-Y306 AromaticContact CE2-CD2 4Å; F302-Y306 HydrophobicContact CE2-CD2 4Å; F302-Y306 AromaticContact CE2-CE2 3.27Å; F302-Y306 HydrophobicContact CE2-CE2 3.27Å; F302-Y306 AromaticContact CE2-CZ 3.88Å; F302-Y306 HydrophobicContact CZ-CD2 4.19Å; F302-Y306 AromaticContact CZ-CE2 3.57Å; F302-Y306 HydrophobicContact CZ-CE2 3.57Å; F302-Y306 AromaticContact CZ-CZ 3.82Å; F302-Y306 VanDerWaalsContact O-CD2 3.28Å; F302-Y306 WeakPolarHBondContact O-CD2 3.17Å; F302-Y306 PolarHBondContact O-N 2.81Å; Y303-Y306 PolarHBondContact O-N 3.4Å; V304-Y306 VanDerWaalsContact C-N 3.3Å; V304-Y306 PolarHBondContact O-N 3.18Å; Y306-V308 VanDerWaalsContact C-N 3.27Å; Y306-V308 PolarHBondContact O-N 3.16Å; Y306-F310 HydrophobicContact CD1-CD1 4.29Å; Y306-F310 HydrophobicContact CD1-CD2 4.46Å; Y306-F310 AromaticContact CD1-CE1 3.71Å; Y306-F310 HydrophobicContact CD1-CE1 3.71Å; Y306-F310 AromaticContact CD1-CE2 3.92Å; Y306-F310 HydrophobicContact CD1-CE2 3.92Å; Y306-F310 AromaticContact CD1-CZ 3.52Å; Y306-F310 HydrophobicContact CD1-CZ 3.52Å; Y306-F310 AromaticContact CE1-CE1 3.94Å; Y306-F310 HydrophobicContact CE1-CE1 3.94Å; Y306-F310 AromaticContact CE1-CZ 3.73Å; Y306-F310 HydrophobicContact CE1-CZ 3.73Å; Y306-F310 VanDerWaalsContact O-CB 3.24Å; Y306-F310 WeakPolarHBondContact O-CB 3.16Å; Y306-F310 PolarHBondContact O-N 2.95Å; Y306-F344 HydrophobicContact CD1-CE1 4.32Å; Y306-F344 HydrophobicContact CD2-CZ 4.49Å; Y306-F344 HydrophobicContact CG-CE1 4.39Å; Y306-F344 HydrophobicContact CG-CZ 4.26Å |
| 307 | L | 97.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 4% | 0.037 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.7 | -33.8 | 170.2 | -64.7 | 177.5 | 0 | 0 | 0 | 112.3 | W260 Y303 V304 K305 G311 L327 | W260-L307 HydrophobicContact CB-CB 4.3Å; W260-L307 HydrophobicContact CD2-CB 4.5Å; W260-L307 HydrophobicContact CD2-CD1 3.52Å; W260-L307 VanDerWaalsContact CE2-CD1 3.45Å; W260-L307 HydrophobicContact CE3-CD1 3.96Å; W260-L307 HydrophobicContact CG-CB 3.96Å; W260-L307 HydrophobicContact CG-CD1 3.87Å; W260-L307 HydrophobicContact CH2-CD1 4.28Å; W260-L307 HydrophobicContact CZ2-CD1 3.86Å; W260-L307 HydrophobicContact CZ3-CD1 4.32Å; Y303-L307 HydrophobicContact CE1-CD1 3.85Å; Y303-L307 HydrophobicContact CE2-CD1 4.04Å; Y303-L307 HydrophobicContact CE2-CD2 3.97Å; Y303-L307 HydrophobicContact CE2-CG 4.02Å; Y303-L307 PolarHBondContact O-N 2.82Å; V304-L307 WeakPolarHBondContact O-CB 3.42Å; V304-L307 PolarHBondContact O-N 3Å; V304-L307 VanDerWaalsContact O-N 3.09Å; K305-L307 VanDerWaalsContact C-N 3.34Å; K305-L307 PolarHBondContact O-N 3.35Å; L307-G311 VanDerWaalsContact O-CA 3.25Å; L307-G311 WeakPolarHBondContact O-CA 3.41Å; L307-G311 PolarHBondContact O-N 3.34Å; L307-G311 VanDerWaalsContact O-N 3.08Å; L307-L327 HydrophobicContact CD2-CB 4.05Å |
| 308 | V | 96.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 15.7 Ų | 15.7 | 13% | 0.127 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -75.2 | -54.6 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | W65 V257 W260 W261 V304 K305 Y306 F310 G311 | W65-V308 HydrophobicContact CH2-CB 4.26Å; W65-V308 HydrophobicContact CH2-CG1 4.17Å; W65-V308 HydrophobicContact CH2-CG2 4.13Å; W65-V308 HydrophobicContact CZ3-CB 4.15Å; W65-V308 HydrophobicContact CZ3-CG1 4.27Å; W65-V308 HydrophobicContact CZ3-CG2 4.37Å; V257-V308 HydrophobicContact CG1-CG1 4.22Å; W260-V308 HydrophobicContact CB-CG2 3.68Å; W261-V308 HydrophobicContact CB-CG1 4.3Å; W261-V308 HydrophobicContact CB-CG2 4.06Å; V304-V308 PolarHBondContact O-N 2.92Å; K305-V308 WeakPolarHBondContact O-CB 3.36Å; K305-V308 PolarHBondContact O-N 3.42Å; K305-V308 VanDerWaalsContact O-N 3.14Å; Y306-V308 VanDerWaalsContact C-N 3.27Å; Y306-V308 PolarHBondContact O-N 3.16Å; V308-F310 VanDerWaalsContact C-N 3.32Å; V308-F310 PolarHBondContact O-N 3.24Å; V308-G311 PolarHBondContact O-N 2.7Å |
| 309 | L | 95.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 16.9 Ų | 16.9 | 9% | 0.094 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.9 | -38.8 | -176.4 | -63.1 | 174.3 | 0 | 0 | 0 | 112.1 | W68 N220 K305 P313 | W68-L309 HydrophobicContact CB-CD2 3.62Å; W68-L309 HydrophobicContact CG-CD2 3.71Å; N220-L309 PolarHBondContact OD1-O 2.9Å; K305-L309 HydrophobicContact CD-CD1 4.21Å; K305-L309 HydrophobicContact CG-CD1 3.62Å; K305-L309 HydrophobicContact CG-CG 4.23Å; K305-L309 WeakPolarHBondContact O-CG 3.42Å; K305-L309 PolarHBondContact O-N 3.07Å; L309-P313 WeakPolarHBondContact O-CD 3.28Å; L309-P313 WeakPolarHBondContact O-CG 3.14Å |
| 310 | F | 96.6 | Very high | 95.8 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 6% | 0.057 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -90 | -19.8 | 179.3 | -68.7 | 7.6 | 0 | 0 | 0 | 112.7 | G221 P222 Y306 V308 S314 L327 | G221-F310 VanDerWaalsContact CA-CD1 3.46Å; P222-F310 HydrophobicContact CB-CD2 4.11Å; P222-F310 HydrophobicContact CB-CE2 4.29Å; Y306-F310 HydrophobicContact CD1-CD1 4.29Å; Y306-F310 HydrophobicContact CD1-CD2 4.46Å; Y306-F310 AromaticContact CD1-CE1 3.71Å; Y306-F310 HydrophobicContact CD1-CE1 3.71Å; Y306-F310 AromaticContact CD1-CE2 3.92Å; Y306-F310 HydrophobicContact CD1-CE2 3.92Å; Y306-F310 AromaticContact CD1-CZ 3.52Å; Y306-F310 HydrophobicContact CD1-CZ 3.52Å; Y306-F310 AromaticContact CE1-CE1 3.94Å; Y306-F310 HydrophobicContact CE1-CE1 3.94Å; Y306-F310 AromaticContact CE1-CZ 3.73Å; Y306-F310 HydrophobicContact CE1-CZ 3.73Å; Y306-F310 VanDerWaalsContact O-CB 3.24Å; Y306-F310 WeakPolarHBondContact O-CB 3.16Å; Y306-F310 PolarHBondContact O-N 2.95Å; V308-F310 VanDerWaalsContact C-N 3.32Å; V308-F310 PolarHBondContact O-N 3.24Å; F310-S314 WeakPolarHBondContact O-CB 3.46Å; F310-S314 PolarHBondContact O-N 2.91Å; F310-S314 PolarHBondContact O-OG 3.39Å; F310-L327 HydrophobicContact CB-CD2 3.5Å |
| 311 | G | 96.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 16.9 Ų | 16.9 | 7% | 0.072 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.8 | -52.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L307 V308 S314 M315 | L307-G311 VanDerWaalsContact O-CA 3.25Å; L307-G311 WeakPolarHBondContact O-CA 3.41Å; L307-G311 PolarHBondContact O-N 3.34Å; L307-G311 VanDerWaalsContact O-N 3.08Å; V308-G311 PolarHBondContact O-N 2.7Å; G311-S314 PolarHBondContact O-N 2.85Å; G311-M315 WeakPolarHBondContact O-CB 3.15Å; G311-M315 PolarHBondContact O-N 3.12Å |
| 312 | L | 94.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 17 Ų | 17 | 23% | 0.23 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.3 | -51.2 | 179.7 | 174.6 | 68.2 | 0 | 0 | 0 | 112 | L77 L80 S314 M315 L316 | L77-L312 HydrophobicContact CD1-CD2 3.85Å; L80-L312 HydrophobicContact CD1-CD2 3.87Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 3.1Å; L312-M315 HydrophobicContact CD1-CE 3.66Å; L312-M315 WeakPolarHBondContact O-CB 3.47Å; L312-M315 PolarHBondContact O-N 3Å; L312-L316 PolarHBondContact O-N 3.48Å; L312-L316 VanDerWaalsContact O-N 3.07Å |
| 313 | P | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -49 | -47.7 | 170.2 | -38.4 | 43.3 | 0 | 0 | 0 | 115.3 | P216 F217 L309 M315 L316 A317 | P216-P313 WeakPolarHBondContact O-CB 3.3Å; P216-P313 WeakPolarHBondContact O-CG 3.37Å; F217-P313 HydrophobicContact CD1-CB 3.73Å; F217-P313 HydrophobicContact CE1-CB 3.62Å; L309-P313 WeakPolarHBondContact O-CD 3.28Å; L309-P313 WeakPolarHBondContact O-CG 3.14Å; P313-M315 VanDerWaalsContact C-N 3.32Å; P313-M315 PolarHBondContact O-N 2.99Å; P313-L316 PolarHBondContact O-N 2.88Å; P313-A317 WeakPolarHBondContact O-CB 3.35Å; P313-A317 PolarHBondContact O-N 3.43Å |
| 314 | S | 97 | Very high | 95.2 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67 | -35.1 | -178.4 | -60.4 | 0 | 0 | 0 | 0 | 112 | F310 G311 L312 T318 | F310-S314 WeakPolarHBondContact O-CB 3.46Å; F310-S314 PolarHBondContact O-N 2.91Å; F310-S314 PolarHBondContact O-OG 3.39Å; G311-S314 PolarHBondContact O-N 2.85Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 3.1Å; S314-T318 WeakPolarHBondContact O-CB 3.4Å; S314-T318 PolarHBondContact O-N 3.1Å; S314-T318 PolarHBondContact O-OG1 3.22Å |
| 315 | M | 95.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 174.2 | -177.1 | -172.4 | 77.7 | 0 | 0 | 110.8 | Y249 V250 R253 G311 L312 P313 T318 L319 | Y249-M315 HydrophobicContact CD1-CG 4.48Å; Y249-M315 HydrophobicContact CE1-CG 3.69Å; V250-M315 HydrophobicContact CG1-CE 4.47Å; V250-M315 HydrophobicContact CG1-SD 4.43Å; R253-M315 HydrophobicContact CB-CB 4.34Å; R253-M315 HydrophobicContact CB-CG 3.78Å; R253-M315 HydrophobicContact CB-SD 3.47Å; R253-M315 WeakPolarHBondContact CB-SD 3.18Å; R253-M315 HydrophobicContact CG-CG 4.22Å; R253-M315 HydrophobicContact CG-SD 4.48Å; G311-M315 WeakPolarHBondContact O-CB 3.15Å; G311-M315 PolarHBondContact O-N 3.12Å; L312-M315 HydrophobicContact CD1-CE 3.66Å; L312-M315 WeakPolarHBondContact O-CB 3.47Å; L312-M315 PolarHBondContact O-N 3Å; P313-M315 VanDerWaalsContact C-N 3.32Å; P313-M315 PolarHBondContact O-N 2.99Å; M315-T318 PolarHBondContact O-N 3.26Å; M315-L319 WeakPolarHBondContact O-CG 3.17Å; M315-L319 PolarHBondContact O-N 3.16Å; M315-L319 VanDerWaalsContact O-N 3.08Å |
| 316 | L | 95.9 | Very high | 95.1 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.9 | -66.3 | 176.3 | 0 | 0 | 0 | 111.8 | L80 P216 L312 P313 T318 L319 D320 | L80-L316 HydrophobicContact CB-CD1 3.88Å; L80-L316 HydrophobicContact CD2-CD1 3.79Å; L80-L316 HydrophobicContact CG-CD1 4.4Å; P216-L316 HydrophobicContact CB-CB 4.24Å; P216-L316 HydrophobicContact CG-CB 4.02Å; P216-L316 HydrophobicContact CG-CD1 4.47Å; L312-L316 PolarHBondContact O-N 3.48Å; L312-L316 VanDerWaalsContact O-N 3.07Å; P313-L316 PolarHBondContact O-N 2.88Å; L316-T318 VanDerWaalsContact C-N 3.28Å; L316-T318 PolarHBondContact O-N 3.36Å; L316-L319 HydrophobicContact CD2-CD1 4.34Å; L316-L319 CarbonylContact O-C 3.58Å; L316-L319 WeakPolarHBondContact O-CA 3.33Å; L316-L319 WeakPolarHBondContact O-CB 3.42Å; L316-L319 PolarHBondContact O-N 3.35Å; L316-D320 PolarHBondContact O-N 3.41Å |
| 317 | A | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y214 F217 P313 L319 D320 G321 L322 | Y214-A317 HydrophobicContact CE1-CB 4.44Å; Y214-A317 WeakPolarHBondContact OH-CA 3.43Å; F217-A317 HydrophobicContact CE1-CB 4.13Å; F217-A317 HydrophobicContact CE2-CB 3.69Å; F217-A317 HydrophobicContact CZ-CB 3.3Å; P313-A317 WeakPolarHBondContact O-CB 3.35Å; P313-A317 PolarHBondContact O-N 3.43Å; A317-L319 VanDerWaalsContact C-N 3.35Å; A317-D320 WeakPolarHBondContact O-CB 3.25Å; A317-D320 PolarHBondContact O-N 2.8Å; A317-D320 VanDerWaalsContact O-N 3.13Å; A317-G321 PolarHBondContact O-N 2.67Å; A317-L322 HydrophobicContact CB-CB 4.15Å; A317-L322 HydrophobicContact CB-CD1 4.11Å; A317-L322 WeakPolarHBondContact O-CA 3.36Å; A317-L322 VanDerWaalsContact O-CB 3.28Å; A317-L322 WeakPolarHBondContact O-CB 3.39Å; A317-L322 PolarHBondContact O-N 3.17Å |
| 318 | T | 94.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 27.9 Ų | 27.9 | 33% | 0.331 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 174.1 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | Y249 S314 M315 L316 D320 G321 L322 | Y249-T318 HydrophobicContact CE1-CG2 4.42Å; Y249-T318 HydrophobicContact CE2-CG2 4.25Å; Y249-T318 WeakPolarHBondContact OH-CB 3.06Å; Y249-T318 WeakPolarHBondContact OH-CG2 3.44Å; Y249-T318 PolarHBondContact OH-OG1 3.17Å; S314-T318 WeakPolarHBondContact O-CB 3.4Å; S314-T318 PolarHBondContact O-N 3.1Å; S314-T318 PolarHBondContact O-OG1 3.22Å; M315-T318 PolarHBondContact O-N 3.26Å; L316-T318 VanDerWaalsContact C-N 3.28Å; L316-T318 PolarHBondContact O-N 3.36Å; T318-D320 PolarHBondContact O-N 2.96Å; T318-G321 PolarHBondContact O-N 3.48Å; T318-L322 WeakPolarHBondContact CA-O 3.22Å |
| 319 | L | 91.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 32 Ų | 32 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.2 | -25.7 | 174.3 | -66.6 | 174 | 0 | 0 | 0 | 112.7 | V246 Y249 V250 M315 L316 A317 G321 | V246-L319 HydrophobicContact CG1-CD2 3.74Å; Y249-L319 HydrophobicContact CD1-CD2 4.16Å; Y249-L319 HydrophobicContact CE1-CD2 4.34Å; Y249-L319 HydrophobicContact CE1-CG 4.45Å; V250-L319 HydrophobicContact CG2-CD1 3.91Å; V250-L319 HydrophobicContact CG2-CD2 4.07Å; M315-L319 WeakPolarHBondContact O-CG 3.17Å; M315-L319 PolarHBondContact O-N 3.16Å; M315-L319 VanDerWaalsContact O-N 3.08Å; L316-L319 HydrophobicContact CD2-CD1 4.34Å; L316-L319 CarbonylContact O-C 3.58Å; L316-L319 WeakPolarHBondContact O-CA 3.33Å; L316-L319 WeakPolarHBondContact O-CB 3.42Å; L316-L319 PolarHBondContact O-N 3.35Å; A317-L319 VanDerWaalsContact C-N 3.35Å; L319-G321 VanDerWaalsContact C-N 3.27Å |
| 320 | D | 93 | Very high | 94.5 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.3 | -15.1 | 174.7 | -68.9 | -27.3 | 0 | 0 | 0 | 114 | H83 S87 K98 Y214 M233 L316 A317 T318 | H83-D320 IonicContact CE1-OD2 3.56Å; H83-D320 IonicContact NE2-OD1 3.28Å; H83-D320 IonicContact NE2-OD2 3.91Å; H83-D320 PolarHBondContact NE2-OD2 3.39Å; S87-D320 WeakPolarHBondContact CB-OD1 3.37Å; S87-D320 PolarHBondContact OG-OD1 2.97Å; K98-D320 VanDerWaalsContact NZ-CA 3.35Å; K98-D320 PolarHBondContact NZ-O 2.91Å; K98-D320 IonicContact NZ-OD1 3.96Å; Y214-D320 VanDerWaalsContact CE2-OD2 3.3Å; Y214-D320 WeakPolarHBondContact CE2-OD2 3.26Å; Y214-D320 PolarHBondContact OH-OD2 2.86Å; M233-D320 HydrophobicContact SD-CB 4.37Å; L316-D320 PolarHBondContact O-N 3.41Å; A317-D320 WeakPolarHBondContact O-CB 3.25Å; A317-D320 PolarHBondContact O-N 2.8Å; A317-D320 VanDerWaalsContact O-N 3.13Å; T318-D320 PolarHBondContact O-N 2.96Å |
| 321 | G | 90.9 | Very high | 94.2 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 27% | 0.268 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 7.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A317 T318 L319 | A317-G321 PolarHBondContact O-N 2.67Å; T318-G321 PolarHBondContact O-N 3.48Å; L319-G321 VanDerWaalsContact C-N 3.27Å |
| 322 | L | 93.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | trans | -83.4 | 152.4 | 173.8 | -61.4 | 174.7 | 0 | 0 | 0 | 111.3 | Y214 I224 Y229 Q232 M233 A317 T318 P324 | Y214-L322 HydrophobicContact CE1-CD1 3.68Å; Y214-L322 HydrophobicContact CE2-CD1 4.49Å; I224-L322 HydrophobicContact CD1-CD1 4.47Å; I224-L322 HydrophobicContact CD1-CD2 4.19Å; Y229-L322 HydrophobicContact CD2-CD1 3.96Å; Y229-L322 HydrophobicContact CD2-CD2 4.22Å; Y229-L322 HydrophobicContact CE2-CD1 4.17Å; Q232-L322 HydrophobicContact CB-CD2 3.6Å; Q232-L322 VanDerWaalsContact OE1-CA 3.29Å; M233-L322 HydrophobicContact CG-CD2 3.71Å; M233-L322 HydrophobicContact CG-CG 4.41Å; M233-L322 HydrophobicContact SD-CD1 4.11Å; M233-L322 HydrophobicContact SD-CD2 3.71Å; M233-L322 HydrophobicContact SD-CG 3.77Å; A317-L322 HydrophobicContact CB-CB 4.15Å; A317-L322 HydrophobicContact CB-CD1 4.11Å; A317-L322 WeakPolarHBondContact O-CA 3.36Å; A317-L322 VanDerWaalsContact O-CB 3.28Å; A317-L322 WeakPolarHBondContact O-CB 3.39Å; A317-L322 PolarHBondContact O-N 3.17Å; T318-L322 WeakPolarHBondContact CA-O 3.22Å; L322-P324 WeakPolarHBondContact O-CD 3.28Å | ||
| 323 | V | 94.8 | Very high | 93.3 | Very high | 98 Ų | 98 | 32.6 Ų | 32.6 | 59% | 0.594 | 18% | 0.178 | S | C | * | . | trans | -104 | 92.7 | 168.5 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 324 | P | 94.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 153.5 | 178.6 | 28.8 | -36.5 | 0 | 0 | 0 | 111.4 | F217 L322 | F217-P324 HydrophobicContact CZ-CB 3.96Å; L322-P324 WeakPolarHBondContact O-CD 3.28Å |
| 325 | P | 95.1 | Very high | 92.5 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -51.1 | 149.7 | 165.5 | -24.1 | 34.1 | 0 | 0 | 0 | 111.5 | P222 I223 E346 | P222-P325 HydrophobicContact CB-CB 4.06Å; P222-P325 HydrophobicContact CB-CG 3.94Å; I223-P325 WeakPolarHBondContact O-CG 3.43Å; P325-E346 HydrophobicContact CB-CB 4.11Å; P325-E346 HydrophobicContact CB-CG 4.28Å |
| 326 | K | 94.9 | Very high | 92.3 | Very high | 143 Ų | 143 | 33.7 Ų | 33.7 | 62% | 0.622 | 18% | 0.184 | S | C | * | . | P | Polyproline II helix | trans | -67 | 144.8 | -179.3 | -60.5 | 178.5 | 177.2 | -177.7 | 0 | 109.4 | E346 | K326-E346 WeakPolarHBondContact CB-OE2 3.23Å; K326-E346 WeakPolarHBondContact CG-OE2 3.3Å; K326-E346 PolarHBondContact N-OE2 2.91Å |
| 327 | L | 95.2 | Very high | 92.3 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 156 | 171.7 | -61.8 | -179.1 | 0 | 0 | 0 | 110.9 | L307 F310 R329 | L307-L327 HydrophobicContact CD2-CB 4.05Å; F310-L327 HydrophobicContact CB-CD2 3.5Å; L327-R329 PolarHBondContact O-N 3.08Å |
| 328 | P | 94.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -48.8 | 138.2 | 179.5 | -25.2 | 27.8 | 0 | 0 | 0 | 112.7 | Y303 H343 F344 | Y303-P328 HydrophobicContact CD2-CB 3.81Å; Y303-P328 HydrophobicContact CE2-CB 3.77Å; Y303-P328 WeakPolarHBondContact CE2-O 3.37Å; P328-H343 WeakPolarHBondContact CA-O 3.12Å; P328-F344 WeakPolarHBondContact CA-O 3.38Å; P328-F344 HydrophobicContact CB-CD2 4.21Å; P328-F344 HydrophobicContact CB-CE2 4.35Å; P328-F344 WeakPolarHBondContact CB-O 3.4Å; P328-F344 VanDerWaalsContact CG-O 3.25Å; P328-F344 WeakPolarHBondContact CG-O 3.45Å |
| 329 | R | 91.8 | Very high | 92 | Very high | 108 Ų | 108 | 33 Ų | 33 | 41% | 0.408 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -75.9 | 151.5 | 167.9 | -67.5 | -171.2 | -173.7 | -175.6 | -0 | 110.1 | Y303 L327 V331 M334 H343 | Y303-R329 VanDerWaalsContact CE2-C 3.46Å; Y303-R329 WeakPolarHBondContact CE2-O 3.43Å; L327-R329 PolarHBondContact O-N 3.08Å; R329-V331 PolarHBondContact O-N 3.38Å; R329-V331 VanDerWaalsContact O-N 3.08Å; R329-M334 HydrophobicContact CB-SD 4.15Å; R329-H343 HydrophobicContact CB-CB 4.25Å; R329-H343 HydrophobicContact CG-CB 4Å; R329-H343 PolarHBondContact N-O 3.35Å; R329-H343 PolarHBondContact NH2-CE1 2.8Å |
| 330 | C | 90.6 | Very high | 92 | Very high | 40 Ų | 40 | 32.4 Ų | 32.4 | 27% | 0.27 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -51.2 | 119 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | Y303 S332 I333 M334 | Y303-C330 HydrophobicContact CE1-CB 4.31Å; Y303-C330 VanDerWaalsContact CZ-CA 3.42Å; Y303-C330 WeakPolarHBondContact OH-CA 3.46Å; Y303-C330 PolarHBondContact OH-N 2.82Å; C330-S332 PolarHBondContact O-N 3.26Å; C330-S332 VanDerWaalsContact O-N 3.15Å; C330-S332 PolarHBondContact SG-N 2.92Å; C330-I333 HydrophobicContact CB-CD1 4.24Å; C330-I333 HydrophobicContact CB-CG1 4.03Å; C330-I333 WeakPolarHBondContact O-CG1 3.29Å; C330-I333 PolarHBondContact O-N 2.86Å; C330-I333 VanDerWaalsContact O-N 3.15Å; C330-M334 WeakPolarHBondContact O-CG 3.41Å |
| 331 | V | 90.1 | Very high | 92 | Very high | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -64.3 | -20.8 | -179.5 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | V299 Q300 Y303 R329 I333 M334 M340 F344 F485 | V299-V331 HydrophobicContact CG1-CB 4.19Å; V299-V331 HydrophobicContact CG1-CG2 3.93Å; Q300-V331 VanDerWaalsContact NE2-CG2 3.35Å; Y303-V331 HydrophobicContact CD1-CG2 4.34Å; Y303-V331 HydrophobicContact CD2-CG1 4.12Å; Y303-V331 HydrophobicContact CG-CG1 4.07Å; Y303-V331 HydrophobicContact CG-CG2 4.07Å; R329-V331 PolarHBondContact O-N 3.38Å; R329-V331 VanDerWaalsContact O-N 3.08Å; V331-I333 PolarHBondContact O-N 3.21Å; V331-M334 PolarHBondContact O-N 3.42Å; V331-M340 HydrophobicContact CB-CE 4.29Å; V331-M340 HydrophobicContact CG1-CE 4.15Å; V331-M340 HydrophobicContact CG1-SD 4.31Å; V331-F344 HydrophobicContact CG1-CD2 3.88Å; V331-F344 HydrophobicContact CG1-CE2 3.96Å; V331-F485 WeakPolarHBondContact O-CZ 3.36Å |
| 332 | S | 86.6 | Confident | 92.2 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 17% | 0.168 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -71.8 | 2.8 | 174.1 | -76.5 | 0 | 0 | 0 | 0 | 116.7 | H24 Q300 C330 F485 | H24-S332 PolarHBondContact NE2-OG 3.33Å; Q300-S332 PolarHBondContact NE2-OG 3.47Å; C330-S332 PolarHBondContact O-N 3.26Å; C330-S332 VanDerWaalsContact O-N 3.15Å; C330-S332 PolarHBondContact SG-N 2.92Å; S332-F485 WeakPolarHBondContact O-CD1 3.4Å; S332-F485 WeakPolarHBondContact O-CE1 3.29Å; S332-F485 WeakPolarHBondContact O-CZ 3.45Å |
| 333 | I | 85.7 | Confident | 92.2 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -125 | 3 | 172.4 | 51.9 | 168.3 | 0 | 0 | 0 | 112.3 | C330 V331 H335 V488 | C330-I333 HydrophobicContact CB-CD1 4.24Å; C330-I333 HydrophobicContact CB-CG1 4.03Å; C330-I333 WeakPolarHBondContact O-CG1 3.29Å; C330-I333 PolarHBondContact O-N 2.86Å; C330-I333 VanDerWaalsContact O-N 3.15Å; V331-I333 PolarHBondContact O-N 3.21Å; I333-H335 PolarHBondContact O-ND1 3.04Å; I333-H335 VanDerWaalsContact O-ND1 3.17Å; I333-V488 HydrophobicContact CG2-CG1 4.33Å |
| 334 | M | 88.1 | Confident | 92.1 | Very high | 14 Ų | 14 | 36.3 Ų | 36.3 | 7% | 0.069 | 18% | 0.176 | C | C | . | . | trans | -88.6 | 116 | -176.3 | -60.9 | -54.7 | -67.2 | 0 | 0 | 109.5 | R329 C330 V331 G339 M340 H343 F485 | R329-M334 HydrophobicContact CB-SD 4.15Å; C330-M334 WeakPolarHBondContact O-CG 3.41Å; V331-M334 PolarHBondContact O-N 3.42Å; M334-G339 WeakPolarHBondContact CE-O 3.32Å; M334-M340 HydrophobicContact CB-CE 3.7Å; M334-M340 HydrophobicContact CB-SD 4.42Å; M334-M340 VanDerWaalsContact CE-N 3.33Å; M334-M340 HydrophobicContact CG-CE 4.19Å; M334-M340 HydrophobicContact CG-SD 4.41Å; M334-H343 HydrophobicContact CE-CB 3.82Å; M334-H343 HydrophobicContact SD-CB 4.48Å; M334-F485 WeakPolarHBondContact O-CE2 3.31Å | ||
| 335 | H | 89.3 | Confident | 92.1 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 6% | 0.06 | 18% | 0.176 | C | C | . | . | trans | -122.2 | 13.5 | -168.8 | 57.1 | -96 | 0 | 0 | 0 | 113.5 | I333 C438 T442 A486 L490 | I333-H335 PolarHBondContact O-ND1 3.04Å; I333-H335 VanDerWaalsContact O-ND1 3.17Å; H335-C438 HydrophobicContact CB-CB 4.01Å; H335-C438 PolarHBondContact CD2-SG 3.31Å; H335-C438 PolarHBondContact O-SG 3.45Å; H335-T442 WeakPolarHBondContact CA-OG1 3.47Å; H335-A486 HydrophobicContact CB-CB 4.25Å; H335-L490 WeakPolarHBondContact NE2-CD2 3.44Å | ||
| 336 | S | 92.1 | Very high | 92.1 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -151.1 | 150 | -179.3 | 78.8 | 0 | 0 | 0 | 0 | 111.7 | G339 M340 E405 | S336-G339 PolarHBondContact O-N 3.49Å; S336-G339 WeakPolarHBondContact OG-CA 3.33Å; S336-G339 PolarHBondContact OG-N 2.82Å; S336-M340 PolarHBondContact O-N 3.49Å; S336-E405 VanDerWaalsContact CB-OE2 3.31Å; S336-E405 WeakPolarHBondContact CB-OE2 3.44Å |
| 337 | F | 94 | Very high | 92.2 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 176.9 | -80.7 | -90.6 | 0 | 0 | 0 | 110.5 | G339 M340 W341 V402 E405 S441 M444 L445 | F337-G339 PolarHBondContact O-N 3.21Å; F337-M340 PolarHBondContact O-N 2.58Å; F337-W341 VanDerWaalsContact O-CD1 3.31Å; F337-W341 PolarHBondContact O-N 3.28Å; F337-W341 VanDerWaalsContact O-N 3.08Å; F337-V402 HydrophobicContact CB-CG2 3.84Å; F337-E405 PolarHBondContact N-OE2 3.04Å; F337-S441 WeakPolarHBondContact CD2-OG 3.22Å; F337-M444 HydrophobicContact CE2-CB 4.17Å; F337-M444 HydrophobicContact CZ-CB 4.03Å; F337-L445 HydrophobicContact CD1-CD1 3.56Å; F337-L445 HydrophobicContact CE1-CB 4.3Å; F337-L445 HydrophobicContact CE1-CD1 3.58Å; F337-L445 HydrophobicContact CE2-CB 4.36Å; F337-L445 HydrophobicContact CG-CD1 4.17Å; F337-L445 HydrophobicContact CZ-CB 4.08Å; F337-L445 HydrophobicContact CZ-CD1 4.21Å |
| 338 | T | 92.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 29 Ų | 29 | 18% | 0.178 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -38.5 | 177.9 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | R342 E405 | T338-R342 WeakPolarHBondContact O-CB 3.49Å; T338-R342 PolarHBondContact O-N 3.43Å; T338-R342 VanDerWaalsContact O-N 3.15Å; T338-E405 WeakPolarHBondContact CB-OE1 3.41Å; T338-E405 PolarHBondContact N-OE2 3.01Å; T338-E405 VanDerWaalsContact OG1-CD 3.23Å; T338-E405 PolarHBondContact OG1-OE1 3.47Å; T338-E405 PolarHBondContact OG1-OE2 3.27Å |
| 339 | G | 91.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 12% | 0.124 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -50.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M334 S336 F337 W341 R342 H343 | M334-G339 WeakPolarHBondContact CE-O 3.32Å; S336-G339 PolarHBondContact O-N 3.49Å; S336-G339 WeakPolarHBondContact OG-CA 3.33Å; S336-G339 PolarHBondContact OG-N 2.82Å; F337-G339 PolarHBondContact O-N 3.21Å; G339-W341 PolarHBondContact O-N 3.08Å; G339-R342 PolarHBondContact O-N 3.41Å; G339-H343 WeakPolarHBondContact O-CB 3.38Å; G339-H343 PolarHBondContact O-CD2 3.22Å; G339-H343 PolarHBondContact O-N 2.85Å; G339-H343 VanDerWaalsContact O-N 3.08Å |
| 340 | M | 92.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.8 | -51.4 | -179.4 | -173.1 | 61.6 | 80.3 | 0 | 0 | 111.2 | V331 M334 S336 F337 R342 H343 F344 L445 | V331-M340 HydrophobicContact CB-CE 4.29Å; V331-M340 HydrophobicContact CG1-CE 4.15Å; V331-M340 HydrophobicContact CG1-SD 4.31Å; M334-M340 HydrophobicContact CB-CE 3.7Å; M334-M340 HydrophobicContact CB-SD 4.42Å; M334-M340 VanDerWaalsContact CE-N 3.33Å; M334-M340 HydrophobicContact CG-CE 4.19Å; M334-M340 HydrophobicContact CG-SD 4.41Å; S336-M340 PolarHBondContact O-N 3.49Å; F337-M340 PolarHBondContact O-N 2.58Å; M340-R342 VanDerWaalsContact C-N 3.28Å; M340-R342 PolarHBondContact O-N 3.43Å; M340-H343 PolarHBondContact O-N 3.37Å; M340-F344 VanDerWaalsContact O-CB 3.26Å; M340-F344 WeakPolarHBondContact O-CB 3.23Å; M340-F344 PolarHBondContact O-N 2.93Å; M340-F344 HydrophobicContact SD-CB 3.96Å; M340-F344 HydrophobicContact SD-CD2 4.19Å; M340-F344 HydrophobicContact SD-CG 4.36Å; M340-L445 HydrophobicContact CB-CD1 4.16Å; M340-L445 HydrophobicContact CB-CD2 3.91Å; M340-L445 HydrophobicContact CE-CD2 3.48Å; M340-L445 VanDerWaalsContact CE-CD2 3.48Å; M340-L445 HydrophobicContact CE-CG 4.26Å; M340-L445 HydrophobicContact CG-CD1 4.13Å; M340-L445 HydrophobicContact CG-CD2 4.11Å |
| 341 | W | 94 | Very high | 93 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 16% | 0.163 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -31.1 | 179 | -80.5 | 94.9 | 0 | 0 | 0 | 114 | F337 G339 Y349 F378 V381 W394 N398 | F337-W341 VanDerWaalsContact O-CD1 3.31Å; F337-W341 PolarHBondContact O-N 3.28Å; F337-W341 VanDerWaalsContact O-N 3.08Å; G339-W341 PolarHBondContact O-N 3.08Å; W341-Y349 WeakPolarHBondContact O-CB 3.26Å; W341-Y349 VanDerWaalsContact O-CD2 3.31Å; W341-Y349 WeakPolarHBondContact O-CD2 3.26Å; W341-F378 HydrophobicContact CD2-CE1 4.12Å; W341-F378 HydrophobicContact CD2-CZ 4.16Å; W341-F378 AromaticContact CE2-CE1 3.42Å; W341-F378 VanDerWaalsContact CE2-CE1 3.42Å; W341-F378 AromaticContact CE2-CZ 3.77Å; W341-F378 HydrophobicContact CG-CZ 4.42Å; W341-F378 HydrophobicContact CH2-CD1 4.42Å; W341-F378 AromaticContact CH2-CE1 3.9Å; W341-F378 HydrophobicContact CH2-CE1 3.9Å; W341-F378 HydrophobicContact CZ2-CD1 4.18Å; W341-F378 AromaticContact CZ2-CE1 3.35Å; W341-F378 HydrophobicContact CZ2-CE1 3.35Å; W341-F378 HydrophobicContact CZ2-CZ 4.17Å; W341-F378 AromaticContact NE1-CE1 3.73Å; W341-F378 AromaticContact NE1-CZ 3.73Å; W341-V381 HydrophobicContact CH2-CG1 4.19Å; W341-W394 AromaticContact CH2-CH2 3.49Å; W341-W394 HydrophobicContact CH2-CH2 3.49Å; W341-W394 VanDerWaalsContact CH2-CH2 3.49Å; W341-W394 AromaticContact CH2-CZ2 3.59Å; W341-W394 HydrophobicContact CH2-CZ2 3.59Å; W341-W394 HydrophobicContact CH2-CZ3 4.44Å; W341-W394 AromaticContact CZ2-CH2 3.92Å; W341-W394 HydrophobicContact CZ2-CH2 3.92Å; W341-W394 AromaticContact CZ2-CZ2 3.58Å; W341-W394 HydrophobicContact CZ2-CZ2 3.58Å; W341-N398 HydrophobicContact CZ2-CB 4.05Å; W341-N398 PolarHBondContact NE1-OD1 3.37Å |
| 342 | R | 93.8 | Very high | 93.4 | Very high | 109 Ų | 109 | 30 Ų | 30 | 41% | 0.411 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -77.4 | -28.8 | 179.1 | -175.8 | 179.1 | -68.5 | 169.2 | -1.1 | 113.5 | T338 G339 M340 Y349 | T338-R342 WeakPolarHBondContact O-CB 3.49Å; T338-R342 PolarHBondContact O-N 3.43Å; T338-R342 VanDerWaalsContact O-N 3.15Å; G339-R342 PolarHBondContact O-N 3.41Å; M340-R342 VanDerWaalsContact C-N 3.28Å; M340-R342 PolarHBondContact O-N 3.43Å; R342-Y349 HydrophobicContact CB-CD1 4.45Å; R342-Y349 HydrophobicContact CB-CE1 4.19Å; R342-Y349 HydrophobicContact CB-CE2 4.31Å; R342-Y349 HydrophobicContact CG-CD1 4.13Å; R342-Y349 HydrophobicContact CG-CE1 3.75Å; R342-Y349 PolarHBondContact NE-OH 3.15Å |
| 343 | H | 93.4 | Very high | 93.9 | Very high | 39 Ų | 39 | 31.1 Ų | 31.1 | 18% | 0.181 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -125.1 | -7.8 | -162.5 | -65.6 | -47.8 | 0 | 0 | 0 | 115.2 | P328 R329 M334 G339 M340 | P328-H343 WeakPolarHBondContact CA-O 3.12Å; R329-H343 HydrophobicContact CB-CB 4.25Å; R329-H343 HydrophobicContact CG-CB 4Å; R329-H343 PolarHBondContact N-O 3.35Å; R329-H343 PolarHBondContact NH2-CE1 2.8Å; M334-H343 HydrophobicContact CE-CB 3.82Å; M334-H343 HydrophobicContact SD-CB 4.48Å; G339-H343 WeakPolarHBondContact O-CB 3.38Å; G339-H343 PolarHBondContact O-CD2 3.22Å; G339-H343 PolarHBondContact O-N 2.85Å; G339-H343 VanDerWaalsContact O-N 3.08Å; M340-H343 PolarHBondContact O-N 3.37Å |
| 344 | F | 93.4 | Very high | 94.4 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 12% | 0.123 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -78.4 | -68.2 | 171.1 | -171 | -93.4 | 0 | 0 | 0 | 110.1 | F302 Y303 Y306 P328 V331 M340 | F302-F344 AromaticContact CD1-CE1 3.93Å; F302-F344 HydrophobicContact CD1-CE1 3.93Å; F302-F344 AromaticContact CD1-CE2 4Å; F302-F344 HydrophobicContact CD1-CE2 4Å; F302-F344 AromaticContact CD1-CZ 3.3Å; F302-F344 HydrophobicContact CD1-CZ 3.3Å; F302-F344 HydrophobicContact CE1-CD1 4.36Å; F302-F344 AromaticContact CE1-CE1 3.28Å; F302-F344 HydrophobicContact CE1-CE1 3.28Å; F302-F344 HydrophobicContact CE1-CE2 4.19Å; F302-F344 AromaticContact CE1-CZ 3.18Å; F302-F344 HydrophobicContact CE1-CZ 3.18Å; F302-F344 HydrophobicContact CG-CZ 4.34Å; F302-F344 HydrophobicContact CZ-CE1 4.03Å; F302-F344 HydrophobicContact CZ-CZ 4.15Å; Y303-F344 HydrophobicContact CD2-CE2 4.47Å; Y306-F344 HydrophobicContact CD1-CE1 4.32Å; Y306-F344 HydrophobicContact CD2-CZ 4.49Å; Y306-F344 HydrophobicContact CG-CE1 4.39Å; Y306-F344 HydrophobicContact CG-CZ 4.26Å; P328-F344 WeakPolarHBondContact CA-O 3.38Å; P328-F344 HydrophobicContact CB-CD2 4.21Å; P328-F344 HydrophobicContact CB-CE2 4.35Å; P328-F344 WeakPolarHBondContact CB-O 3.4Å; P328-F344 VanDerWaalsContact CG-O 3.25Å; P328-F344 WeakPolarHBondContact CG-O 3.45Å; V331-F344 HydrophobicContact CG1-CD2 3.88Å; V331-F344 HydrophobicContact CG1-CE2 3.96Å; M340-F344 VanDerWaalsContact O-CB 3.26Å; M340-F344 WeakPolarHBondContact O-CB 3.23Å; M340-F344 PolarHBondContact O-N 2.93Å; M340-F344 HydrophobicContact SD-CB 3.96Å; M340-F344 HydrophobicContact SD-CD2 4.19Å; M340-F344 HydrophobicContact SD-CG 4.36Å |
| 345 | D | 94.6 | Very high | 94.9 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -110.1 | 89.5 | 170.6 | -171.3 | -19.3 | 0 | 0 | 0 | 110.2 | G347 L348 Y349 | D345-G347 VanDerWaalsContact C-N 3.26Å; D345-G347 PolarHBondContact O-N 3.29Å; D345-G347 PolarHBondContact OD1-N 2.93Å; D345-G347 VanDerWaalsContact OD1-N 3.08Å; D345-L348 HydrophobicContact CB-CB 4.16Å; D345-L348 VanDerWaalsContact CG-CB 3.46Å; D345-L348 PolarHBondContact OD1-N 2.9Å; D345-L348 WeakPolarHBondContact OD2-CB 3.35Å; D345-Y349 VanDerWaalsContact O-CB 3.3Å; D345-Y349 WeakPolarHBondContact O-CB 3.43Å; D345-Y349 PolarHBondContact O-N 3.48Å |
| 346 | E | 95.7 | Very high | 95.3 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.5 | -30.5 | -179.9 | -178 | 172.2 | -161.8 | 0 | 0 | 112.3 | P325 K326 R350 | P325-E346 HydrophobicContact CB-CB 4.11Å; P325-E346 HydrophobicContact CB-CG 4.28Å; K326-E346 WeakPolarHBondContact CB-OE2 3.23Å; K326-E346 WeakPolarHBondContact CG-OE2 3.3Å; K326-E346 PolarHBondContact N-OE2 2.91Å; E346-R350 HydrophobicContact CG-CG 4.27Å; E346-R350 WeakPolarHBondContact O-CB 3.5Å; E346-R350 WeakPolarHBondContact O-CG 3.32Å; E346-R350 PolarHBondContact O-N 3.43Å; E346-R350 IonicContact OE1-CZ 3.87Å; E346-R350 VanDerWaalsContact OE1-CZ 3.23Å; E346-R350 IonicContact OE1-NE 3.53Å; E346-R350 PolarHBondContact OE1-NE 3.37Å; E346-R350 IonicContact OE1-NH2 3.83Å; E346-R350 PolarHBondContact OE1-NH2 2.92Å; E346-R350 IonicContact OE2-NH2 2.95Å |
| 347 | G | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -54.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I223 D345 Y349 R350 W351 | I223-G347 WeakPolarHBondContact O-CA 3.39Å; D345-G347 VanDerWaalsContact C-N 3.26Å; D345-G347 PolarHBondContact O-N 3.29Å; D345-G347 PolarHBondContact OD1-N 2.93Å; D345-G347 VanDerWaalsContact OD1-N 3.08Å; G347-Y349 VanDerWaalsContact C-N 3.31Å; G347-Y349 PolarHBondContact O-N 3.04Å; G347-R350 PolarHBondContact O-N 3.4Å; G347-W351 WeakPolarHBondContact O-CB 3.31Å; G347-W351 PolarHBondContact O-N 2.82Å |
| 348 | L | 97 | Very high | 95.6 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 175.4 | -178.4 | 61.9 | 0 | 0 | 0 | 111.2 | L183 D345 R350 W351 L352 | L183-L348 HydrophobicContact CD1-CD1 4.31Å; D345-L348 HydrophobicContact CB-CB 4.16Å; D345-L348 VanDerWaalsContact CG-CB 3.46Å; D345-L348 PolarHBondContact OD1-N 2.9Å; D345-L348 WeakPolarHBondContact OD2-CB 3.35Å; L348-R350 PolarHBondContact O-N 3.19Å; L348-W351 WeakPolarHBondContact O-CB 3.48Å; L348-W351 PolarHBondContact O-N 3.21Å; L348-L352 HydrophobicContact CD1-CD1 4.41Å; L348-L352 HydrophobicContact CD1-CG 4.25Å; L348-L352 HydrophobicContact CG-CD1 4.01Å; L348-L352 HydrophobicContact CG-CG 4.32Å; L348-L352 VanDerWaalsContact O-CG 3.29Å; L348-L352 WeakPolarHBondContact O-CG 3.4Å; L348-L352 PolarHBondContact O-N 3.33Å |
| 349 | Y | 97.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57 | -50.2 | 176.1 | 177.6 | -103.4 | 0 | 0 | 0 | 112.5 | W341 R342 D345 G347 W351 L352 I353 | W341-Y349 WeakPolarHBondContact O-CB 3.26Å; W341-Y349 VanDerWaalsContact O-CD2 3.31Å; W341-Y349 WeakPolarHBondContact O-CD2 3.26Å; R342-Y349 HydrophobicContact CB-CD1 4.45Å; R342-Y349 HydrophobicContact CB-CE1 4.19Å; R342-Y349 HydrophobicContact CB-CE2 4.31Å; R342-Y349 HydrophobicContact CG-CD1 4.13Å; R342-Y349 HydrophobicContact CG-CE1 3.75Å; R342-Y349 PolarHBondContact NE-OH 3.15Å; D345-Y349 VanDerWaalsContact O-CB 3.3Å; D345-Y349 WeakPolarHBondContact O-CB 3.43Å; D345-Y349 PolarHBondContact O-N 3.48Å; G347-Y349 VanDerWaalsContact C-N 3.31Å; G347-Y349 PolarHBondContact O-N 3.04Å; Y349-W351 VanDerWaalsContact C-N 3.28Å; Y349-W351 PolarHBondContact O-N 2.98Å; Y349-L352 PolarHBondContact O-N 3.38Å; Y349-I353 HydrophobicContact CD1-CG1 4.3Å; Y349-I353 HydrophobicContact CD2-CG1 4.26Å; Y349-I353 HydrophobicContact CE1-CG1 3.93Å; Y349-I353 HydrophobicContact CE2-CD1 4.03Å; Y349-I353 HydrophobicContact CE2-CG1 3.89Å; Y349-I353 HydrophobicContact CG-CG1 4.46Å; Y349-I353 WeakPolarHBondContact O-CB 3.4Å; Y349-I353 VanDerWaalsContact O-CG1 3.26Å; Y349-I353 WeakPolarHBondContact O-CG1 3.49Å; Y349-I353 PolarHBondContact O-N 3.21Å |
| 350 | R | 97.3 | Very high | 95.8 | Very high | 120 Ų | 120 | 42 Ų | 42 | 45% | 0.453 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 178.2 | -73.6 | 171.6 | 179.3 | -157.5 | 4.7 | 111.3 | E346 G347 L348 I353 R354 | E346-R350 HydrophobicContact CG-CG 4.27Å; E346-R350 WeakPolarHBondContact O-CB 3.5Å; E346-R350 WeakPolarHBondContact O-CG 3.32Å; E346-R350 PolarHBondContact O-N 3.43Å; E346-R350 IonicContact OE1-CZ 3.87Å; E346-R350 VanDerWaalsContact OE1-CZ 3.23Å; E346-R350 IonicContact OE1-NE 3.53Å; E346-R350 PolarHBondContact OE1-NE 3.37Å; E346-R350 IonicContact OE1-NH2 3.83Å; E346-R350 PolarHBondContact OE1-NH2 2.92Å; E346-R350 IonicContact OE2-NH2 2.95Å; G347-R350 PolarHBondContact O-N 3.4Å; L348-R350 PolarHBondContact O-N 3.19Å; R350-I353 PolarHBondContact O-N 2.9Å; R350-R354 VanDerWaalsContact O-CB 3.29Å; R350-R354 WeakPolarHBondContact O-CB 3.4Å; R350-R354 PolarHBondContact O-N 3.17Å |
| 351 | W | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -50.1 | 176.3 | -172.9 | 102.5 | 0 | 0 | 0 | 111.5 | W142 L183 I186 I223 G347 L348 Y349 I353 R354 Y355 I356 F380 | W142-W351 AromaticContact CH2-CH2 3.9Å; W142-W351 HydrophobicContact CH2-CH2 3.9Å; L183-W351 HydrophobicContact CB-CZ2 4.3Å; L183-W351 HydrophobicContact CD2-CD2 4.3Å; L183-W351 HydrophobicContact CD2-CE3 4.35Å; L183-W351 HydrophobicContact CD2-CH2 3.77Å; L183-W351 HydrophobicContact CD2-CZ2 3.62Å; L183-W351 HydrophobicContact CD2-CZ3 4.13Å; L183-W351 PolarHBondContact O-NE1 2.64Å; I186-W351 HydrophobicContact CB-CZ2 3.76Å; I186-W351 HydrophobicContact CD1-CH2 3.96Å; I186-W351 HydrophobicContact CD1-CZ2 3.83Å; I186-W351 HydrophobicContact CG1-CZ2 4.39Å; I186-W351 HydrophobicContact CG2-CH2 4.05Å; I186-W351 HydrophobicContact CG2-CZ2 3.51Å; I223-W351 HydrophobicContact CG2-CB 4.22Å; I223-W351 HydrophobicContact CG2-CG 4.23Å; G347-W351 WeakPolarHBondContact O-CB 3.31Å; G347-W351 PolarHBondContact O-N 2.82Å; L348-W351 WeakPolarHBondContact O-CB 3.48Å; L348-W351 PolarHBondContact O-N 3.21Å; Y349-W351 VanDerWaalsContact C-N 3.28Å; Y349-W351 PolarHBondContact O-N 2.98Å; W351-I353 VanDerWaalsContact C-N 3.32Å; W351-I353 PolarHBondContact O-N 3.48Å; W351-R354 PolarHBondContact O-N 2.91Å; W351-Y355 HydrophobicContact CB-CD2 4.43Å; W351-Y355 AromaticContact CD1-CD2 3.54Å; W351-Y355 AromaticContact CD1-CE2 3.55Å; W351-Y355 AromaticContact CD2-CD2 3.75Å; W351-Y355 HydrophobicContact CD2-CD2 3.75Å; W351-Y355 AromaticContact CE2-CD2 3.64Å; W351-Y355 AromaticContact CG-CD2 3.67Å; W351-Y355 HydrophobicContact CG-CD2 3.67Å; W351-Y355 HydrophobicContact CG-CE2 4.05Å; W351-Y355 HydrophobicContact CZ2-CD2 4.35Å; W351-Y355 AromaticContact NE1-CD2 3.51Å; W351-Y355 AromaticContact NE1-CE2 3.73Å; W351-Y355 VanDerWaalsContact O-CD2 3.28Å; W351-Y355 WeakPolarHBondContact O-CD2 3.34Å; W351-Y355 PolarHBondContact O-N 3.22Å; W351-I356 HydrophobicContact CH2-CD1 4.47Å; W351-I356 HydrophobicContact CZ3-CD1 3.88Å; W351-I356 HydrophobicContact CZ3-CG1 4.29Å; W351-F380 HydrophobicContact CE3-CE1 4.26Å; W351-F380 HydrophobicContact CH2-CD1 4.18Å; W351-F380 AromaticContact CH2-CE1 3.4Å; W351-F380 HydrophobicContact CH2-CE1 3.4Å; W351-F380 HydrophobicContact CH2-CE2 4.03Å; W351-F380 AromaticContact CH2-CZ 3.31Å; W351-F380 HydrophobicContact CH2-CZ 3.31Å; W351-F380 HydrophobicContact CZ2-CE1 4.49Å; W351-F380 HydrophobicContact CZ2-CZ 4.26Å; W351-F380 AromaticContact CZ3-CD1 3.74Å; W351-F380 HydrophobicContact CZ3-CD1 3.74Å; W351-F380 AromaticContact CZ3-CE1 3.24Å; W351-F380 HydrophobicContact CZ3-CE1 3.24Å; W351-F380 AromaticContact CZ3-CZ 3.71Å; W351-F380 HydrophobicContact CZ3-CZ 3.71Å |
| 352 | L | 98.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 177.9 | -68.9 | 168.7 | 0 | 0 | 0 | 111.5 | L348 Y349 I356 Y357 A377 F380 V381 | L348-L352 HydrophobicContact CD1-CD1 4.41Å; L348-L352 HydrophobicContact CD1-CG 4.25Å; L348-L352 HydrophobicContact CG-CD1 4.01Å; L348-L352 HydrophobicContact CG-CG 4.32Å; L348-L352 VanDerWaalsContact O-CG 3.29Å; L348-L352 WeakPolarHBondContact O-CG 3.4Å; L348-L352 PolarHBondContact O-N 3.33Å; Y349-L352 PolarHBondContact O-N 3.38Å; L352-I356 HydrophobicContact CD2-CD1 3.96Å; L352-I356 WeakPolarHBondContact O-CB 3.27Å; L352-I356 PolarHBondContact O-N 2.92Å; L352-Y357 PolarHBondContact O-N 2.86Å; L352-A377 HydrophobicContact CD2-CB 4.45Å; L352-F380 HydrophobicContact CD2-CD1 3.93Å; L352-V381 HydrophobicContact CD1-CG2 3.62Å; L352-V381 HydrophobicContact CD2-CG2 3.7Å; L352-V381 HydrophobicContact CG-CG2 4.27Å |
| 353 | I | 96.9 | Very high | 95 | Very high | 49 Ų | 49 | 37.9 Ų | 37.9 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -63.8 | -47.3 | 178.9 | -67.8 | -63.9 | 0 | 0 | 0 | 111 | Y349 R350 W351 Y357 V358 | Y349-I353 HydrophobicContact CD1-CG1 4.3Å; Y349-I353 HydrophobicContact CD2-CG1 4.26Å; Y349-I353 HydrophobicContact CE1-CG1 3.93Å; Y349-I353 HydrophobicContact CE2-CD1 4.03Å; Y349-I353 HydrophobicContact CE2-CG1 3.89Å; Y349-I353 HydrophobicContact CG-CG1 4.46Å; Y349-I353 WeakPolarHBondContact O-CB 3.4Å; Y349-I353 VanDerWaalsContact O-CG1 3.26Å; Y349-I353 WeakPolarHBondContact O-CG1 3.49Å; Y349-I353 PolarHBondContact O-N 3.21Å; R350-I353 PolarHBondContact O-N 2.9Å; W351-I353 VanDerWaalsContact C-N 3.32Å; W351-I353 PolarHBondContact O-N 3.48Å; I353-Y357 HydrophobicContact CD1-CD1 3.76Å; I353-Y357 HydrophobicContact CD1-CE1 4.49Å; I353-Y357 HydrophobicContact CD1-CG 3.88Å; I353-V358 HydrophobicContact CG2-CG2 3.97Å; I353-V358 WeakPolarHBondContact O-CB 3.3Å; I353-V358 VanDerWaalsContact O-CG2 3.31Å; I353-V358 WeakPolarHBondContact O-CG2 3.3Å; I353-V358 PolarHBondContact O-N 2.85Å |
| 354 | R | 96.9 | Very high | 94.4 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 38% | 0.377 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -68.4 | -44 | -176.6 | 176.7 | 61.5 | 173.1 | 176.9 | 2.6 | 112.8 | E191 R350 W351 P359 | E191-R354 IonicContact OE1-CZ 3.63Å; E191-R354 IonicContact OE1-NE 3.37Å; E191-R354 PolarHBondContact OE1-NE 3.45Å; E191-R354 IonicContact OE1-NH2 2.73Å; E191-R354 PolarHBondContact OE1-NH2 3.42Å; E191-R354 IonicContact OE2-CZ 2.96Å; E191-R354 IonicContact OE2-NE 3.86Å; E191-R354 IonicContact OE2-NH2 3.71Å; E191-R354 PolarHBondContact OE2-NH2 3.03Å; R350-R354 VanDerWaalsContact O-CB 3.29Å; R350-R354 WeakPolarHBondContact O-CB 3.4Å; R350-R354 PolarHBondContact O-N 3.17Å; W351-R354 PolarHBondContact O-N 2.91Å; R354-P359 VanDerWaalsContact O-CD 3.29Å; R354-P359 WeakPolarHBondContact O-CD 3.46Å; R354-P359 WeakPolarHBondContact O-CG 3.4Å |
| 355 | Y | 97.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -100.4 | -23.3 | -167.7 | -61.4 | -57.9 | 0 | 0 | 0 | 114.4 | W142 S187 L190 E191 W194 T225 W351 | W142-Y355 WeakPolarHBondContact CZ2-O 3.33Å; S187-Y355 WeakPolarHBondContact OG-CE2 3.4Å; S187-Y355 VanDerWaalsContact OG-CZ 3.27Å; S187-Y355 PolarHBondContact OG-OH 3.48Å; L190-Y355 HydrophobicContact CB-CD1 3.96Å; L190-Y355 HydrophobicContact CB-CE1 4.14Å; L190-Y355 HydrophobicContact CD1-CD1 3.53Å; L190-Y355 HydrophobicContact CD1-CE1 4.45Å; L190-Y355 HydrophobicContact CD1-CG 3.99Å; L190-Y355 HydrophobicContact CG-CD1 4.4Å; E191-Y355 HydrophobicContact CG-CE1 4.05Å; E191-Y355 WeakPolarHBondContact CG-OH 3.3Å; E191-Y355 VanDerWaalsContact OE1-CE1 3.22Å; E191-Y355 WeakPolarHBondContact OE1-CE1 3.32Å; E191-Y355 PolarHBondContact OE1-OH 2.82Å; W194-Y355 AromaticContact CH2-CD1 3.92Å; W194-Y355 HydrophobicContact CH2-CD1 3.92Å; W194-Y355 HydrophobicContact CH2-CE1 4.48Å; W194-Y355 AromaticContact CZ3-CD1 3.71Å; W194-Y355 HydrophobicContact CZ3-CD1 3.71Å; W194-Y355 AromaticContact CZ3-CE1 3.83Å; W194-Y355 HydrophobicContact CZ3-CE1 3.83Å; T225-Y355 WeakPolarHBondContact CB-OH 3.2Å; T225-Y355 HydrophobicContact CG2-CE2 3.8Å; W351-Y355 HydrophobicContact CB-CD2 4.43Å; W351-Y355 AromaticContact CD1-CD2 3.54Å; W351-Y355 AromaticContact CD1-CE2 3.55Å; W351-Y355 AromaticContact CD2-CD2 3.75Å; W351-Y355 HydrophobicContact CD2-CD2 3.75Å; W351-Y355 AromaticContact CE2-CD2 3.64Å; W351-Y355 AromaticContact CG-CD2 3.67Å; W351-Y355 HydrophobicContact CG-CD2 3.67Å; W351-Y355 HydrophobicContact CG-CE2 4.05Å; W351-Y355 HydrophobicContact CZ2-CD2 4.35Å; W351-Y355 AromaticContact NE1-CD2 3.51Å; W351-Y355 AromaticContact NE1-CE2 3.73Å; W351-Y355 VanDerWaalsContact O-CD2 3.28Å; W351-Y355 WeakPolarHBondContact O-CD2 3.34Å; W351-Y355 PolarHBondContact O-N 3.22Å |
| 356 | I | 97.7 | Very high | 93.6 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -116.3 | -60.5 | -179.1 | -57.5 | -179 | 0 | 0 | 0 | 110.8 | W142 W351 L352 P359 L360 V376 A377 F380 | W142-I356 HydrophobicContact CH2-CD1 4.13Å; W142-I356 HydrophobicContact CH2-CG1 3.79Å; W142-I356 HydrophobicContact CZ2-CG1 3.89Å; W351-I356 HydrophobicContact CH2-CD1 4.47Å; W351-I356 HydrophobicContact CZ3-CD1 3.88Å; W351-I356 HydrophobicContact CZ3-CG1 4.29Å; L352-I356 HydrophobicContact CD2-CD1 3.96Å; L352-I356 WeakPolarHBondContact O-CB 3.27Å; L352-I356 PolarHBondContact O-N 2.92Å; I356-P359 WeakPolarHBondContact O-CD 3.1Å; I356-L360 HydrophobicContact CG2-CD1 3.77Å; I356-L360 WeakPolarHBondContact O-CB 3.4Å; I356-L360 VanDerWaalsContact O-CG 3.25Å; I356-L360 WeakPolarHBondContact O-CG 3.38Å; I356-L360 PolarHBondContact O-N 3.41Å; I356-V376 HydrophobicContact CG2-CB 4.23Å; I356-V376 HydrophobicContact CG2-CG1 3.88Å; I356-A377 HydrophobicContact CG2-CB 4.08Å; I356-F380 HydrophobicContact CD1-CB 3.55Å; I356-F380 HydrophobicContact CD1-CD1 3.74Å; I356-F380 HydrophobicContact CD1-CD2 4.07Å; I356-F380 HydrophobicContact CD1-CG 3.48Å; I356-F380 VanDerWaalsContact CD1-CG 3.48Å |
| 357 | Y | 96.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 56 Ų | 56 | 13% | 0.125 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -64.9 | -49.2 | -168 | -177.7 | -102.1 | 0 | 0 | 0 | 113.6 | L352 I353 G362 S363 K370 T374 | L352-Y357 PolarHBondContact O-N 2.86Å; I353-Y357 HydrophobicContact CD1-CD1 3.76Å; I353-Y357 HydrophobicContact CD1-CE1 4.49Å; I353-Y357 HydrophobicContact CD1-CG 3.88Å; Y357-G362 VanDerWaalsContact O-CA 3.26Å; Y357-G362 WeakPolarHBondContact O-CA 3.06Å; Y357-G362 PolarHBondContact O-N 3.09Å; Y357-S363 PolarHBondContact OH-N 3.21Å; Y357-S363 VanDerWaalsContact OH-N 3.16Å; Y357-S363 PolarHBondContact OH-OG 3.17Å; Y357-K370 HydrophobicContact CE2-CG 4.49Å; Y357-T374 HydrophobicContact CD2-CG2 4.02Å; Y357-T374 HydrophobicContact CE2-CG2 3.62Å |
| 358 | V | 95.5 | Very high | 93 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -47 | -178.8 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | I353 L360 G361 | I353-V358 HydrophobicContact CG2-CG2 3.97Å; I353-V358 WeakPolarHBondContact O-CB 3.3Å; I353-V358 VanDerWaalsContact O-CG2 3.31Å; I353-V358 WeakPolarHBondContact O-CG2 3.3Å; I353-V358 PolarHBondContact O-N 2.85Å; V358-L360 VanDerWaalsContact C-N 3.28Å; V358-L360 PolarHBondContact O-N 3.32Å; V358-G361 PolarHBondContact O-N 3.01Å; V358-G361 VanDerWaalsContact O-N 3.11Å |
| 359 | P | 94.6 | Very high | 92.7 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30 | 178.2 | -28.3 | 38.4 | 0 | 0 | 0 | 114.9 | W194 R354 I356 G361 | W194-P359 HydrophobicContact CH2-CG 3.72Å; W194-P359 HydrophobicContact CZ2-CB 4.44Å; W194-P359 HydrophobicContact CZ2-CG 3.92Å; R354-P359 VanDerWaalsContact O-CD 3.29Å; R354-P359 WeakPolarHBondContact O-CD 3.46Å; R354-P359 WeakPolarHBondContact O-CG 3.4Å; I356-P359 WeakPolarHBondContact O-CD 3.1Å; P359-G361 PolarHBondContact O-N 2.88Å |
| 360 | L | 94.5 | Very high | 92.5 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 7.8 | 177.1 | -64.7 | 178.1 | 0 | 0 | 0 | 114.2 | I356 V358 S369 F372 S373 V376 | I356-L360 HydrophobicContact CG2-CD1 3.77Å; I356-L360 WeakPolarHBondContact O-CB 3.4Å; I356-L360 VanDerWaalsContact O-CG 3.25Å; I356-L360 WeakPolarHBondContact O-CG 3.38Å; I356-L360 PolarHBondContact O-N 3.41Å; V358-L360 VanDerWaalsContact C-N 3.28Å; V358-L360 PolarHBondContact O-N 3.32Å; L360-S369 PolarHBondContact O-OG 3.48Å; L360-S369 VanDerWaalsContact O-OG 3.07Å; L360-F372 HydrophobicContact CD1-CE1 4.23Å; L360-F372 HydrophobicContact CD2-CE1 4.23Å; L360-S373 WeakPolarHBondContact CB-OG 3.47Å; L360-S373 PolarHBondContact O-OG 3.12Å; L360-V376 HydrophobicContact CD1-CB 3.7Å; L360-V376 HydrophobicContact CD1-CG1 3.74Å; L360-V376 HydrophobicContact CD1-CG2 3.95Å |
| 361 | G | 88.8 | Confident | 92.4 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | -17.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V358 P359 R364 H365 S369 | V358-G361 PolarHBondContact O-N 3.01Å; V358-G361 VanDerWaalsContact O-N 3.11Å; P359-G361 PolarHBondContact O-N 2.88Å; G361-R364 PolarHBondContact O-N 3.13Å; G361-R364 VanDerWaalsContact O-N 3.09Å; G361-H365 WeakPolarHBondContact CA-ND1 3.48Å; G361-H365 PolarHBondContact O-N 2.89Å; G361-H365 PolarHBondContact O-ND1 2.91Å; G361-S369 VanDerWaalsContact C-OG 3.26Å; G361-S369 WeakPolarHBondContact CA-OG 3.35Å |
| 362 | G | 88.9 | Confident | 92.3 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | -137.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y357 R364 S369 K370 S373 | Y357-G362 VanDerWaalsContact O-CA 3.26Å; Y357-G362 WeakPolarHBondContact O-CA 3.06Å; Y357-G362 PolarHBondContact O-N 3.09Å; G362-R364 VanDerWaalsContact C-N 3.32Å; G362-S369 PolarHBondContact N-OG 3.38Å; G362-S369 CarbonylContact O-C 3.6Å; G362-S369 PolarHBondContact O-OG 3.08Å; G362-K370 WeakPolarHBondContact O-CA 3.44Å; G362-K370 PolarHBondContact O-N 3.28Å; G362-K370 VanDerWaalsContact O-N 3.11Å; G362-S373 PolarHBondContact N-OG 2.72Å |
| 363 | S | 84.4 | Confident | 92.2 | Very high | 67 Ų | 67 | 66 Ų | 66 | 47% | 0.469 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5.1 | 175.5 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | Y357 K370 | Y357-S363 PolarHBondContact OH-N 3.21Å; Y357-S363 VanDerWaalsContact OH-N 3.16Å; Y357-S363 PolarHBondContact OH-OG 3.17Å; S363-K370 WeakPolarHBondContact OG-CD 3.32Å |
| 364 | R | 82.8 | Confident | 92.1 | Very high | 225 Ų | 225 | 64.4 Ų | 64.4 | 85% | 0.849 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -28.6 | -172.8 | -66.8 | -176.4 | 179.9 | -177.6 | -0.8 | 112.7 | G361 G362 | G361-R364 PolarHBondContact O-N 3.13Å; G361-R364 VanDerWaalsContact O-N 3.09Å; G362-R364 VanDerWaalsContact C-N 3.32Å |
| 365 | H | 82.7 | Confident | 92.1 | Very high | 143 Ų | 143 | 60.5 Ų | 60.5 | 66% | 0.662 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 28.7 | -177.6 | -57.7 | 83.8 | 0 | 0 | 0 | 112.3 | G361 | G361-H365 WeakPolarHBondContact CA-ND1 3.48Å; G361-H365 PolarHBondContact O-N 2.89Å; G361-H365 PolarHBondContact O-ND1 2.91Å |
| 366 | G | 87.8 | Confident | 92.1 | Very high | 31 Ų | 31 | 62.8 Ų | 62.8 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | 86.1 | -177.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L368 S369 K370 | G366-L368 PolarHBondContact O-N 3.44Å; G366-S369 PolarHBondContact O-N 2.97Å; G366-K370 PolarHBondContact O-N 3.24Å |
| 367 | P | 88.2 | Confident | 92.1 | Very high | 106 Ų | 106 | 63 Ų | 63 | 69% | 0.688 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.2 | -38.1 | -172.8 | -24.3 | 34.7 | 0 | 0 | 0 | 114.2 | K370 V371 | P367-K370 WeakPolarHBondContact O-CB 3.06Å; P367-K370 PolarHBondContact O-N 3.21Å; P367-V371 VanDerWaalsContact O-CG2 3.3Å; P367-V371 WeakPolarHBondContact O-CG2 3.46Å; P367-V371 PolarHBondContact O-N 3.28Å |
| 368 | L | 90.7 | Very high | 92.2 | Very high | 150 Ų | 150 | 62.5 Ų | 62.5 | 79% | 0.785 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.2 | -45.2 | -179.4 | -66.7 | 177.4 | 0 | 0 | 0 | 111.9 | G366 K370 V371 F372 | G366-L368 PolarHBondContact O-N 3.44Å; L368-K370 VanDerWaalsContact C-N 3.26Å; L368-K370 PolarHBondContact O-N 3.45Å; L368-V371 PolarHBondContact O-N 2.95Å; L368-F372 WeakPolarHBondContact O-CB 3.48Å; L368-F372 PolarHBondContact O-N 2.89Å |
| 369 | S | 91.8 | Very high | 92.2 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | L360 G361 G362 G366 S373 | L360-S369 PolarHBondContact O-OG 3.48Å; L360-S369 VanDerWaalsContact O-OG 3.07Å; G361-S369 VanDerWaalsContact C-OG 3.26Å; G361-S369 WeakPolarHBondContact CA-OG 3.35Å; G362-S369 PolarHBondContact N-OG 3.38Å; G362-S369 CarbonylContact O-C 3.6Å; G362-S369 PolarHBondContact O-OG 3.08Å; G366-S369 PolarHBondContact O-N 2.97Å; S369-S373 WeakPolarHBondContact O-CB 3.25Å; S369-S373 PolarHBondContact O-N 3.05Å; S369-S373 PolarHBondContact O-OG 3.36Å |
| 370 | K | 91.9 | Very high | 92.4 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 174.3 | 179.1 | 177.4 | -176.5 | 177.6 | 0 | 112.2 | Y357 G362 S363 G366 P367 L368 T374 N406 | Y357-K370 HydrophobicContact CE2-CG 4.49Å; G362-K370 WeakPolarHBondContact O-CA 3.44Å; G362-K370 PolarHBondContact O-N 3.28Å; G362-K370 VanDerWaalsContact O-N 3.11Å; S363-K370 WeakPolarHBondContact OG-CD 3.32Å; G366-K370 PolarHBondContact O-N 3.24Å; P367-K370 WeakPolarHBondContact O-CB 3.06Å; P367-K370 PolarHBondContact O-N 3.21Å; L368-K370 VanDerWaalsContact C-N 3.26Å; L368-K370 PolarHBondContact O-N 3.45Å; K370-T374 WeakPolarHBondContact O-CB 3.33Å; K370-T374 WeakPolarHBondContact O-CG2 3.21Å; K370-T374 PolarHBondContact O-N 2.92Å; K370-T374 PolarHBondContact O-OG1 3.43Å; K370-N406 WeakPolarHBondContact CE-ND2 3.34Å; K370-N406 PolarHBondContact NZ-OD1 2.87Å |
| 371 | V | 94.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | P367 L368 T374 G375 W399 L403 | P367-V371 VanDerWaalsContact O-CG2 3.3Å; P367-V371 WeakPolarHBondContact O-CG2 3.46Å; P367-V371 PolarHBondContact O-N 3.28Å; L368-V371 PolarHBondContact O-N 2.95Å; V371-T374 PolarHBondContact O-OG1 3Å; V371-G375 PolarHBondContact O-N 2.89Å; V371-W399 HydrophobicContact CG1-CZ2 3.8Å; V371-L403 HydrophobicContact CB-CD2 4.36Å; V371-L403 HydrophobicContact CG1-CD1 4.41Å; V371-L403 HydrophobicContact CG1-CD2 4.33Å; V371-L403 HydrophobicContact CG2-CD2 3.81Å |
| 372 | F | 95.9 | Very high | 92.8 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 54% | 0.544 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.4 | -52.4 | 177.6 | 179.6 | -105.9 | 0 | 0 | 0 | 112.1 | L360 L368 T374 G375 V376 | L360-F372 HydrophobicContact CD1-CE1 4.23Å; L360-F372 HydrophobicContact CD2-CE1 4.23Å; L368-F372 WeakPolarHBondContact O-CB 3.48Å; L368-F372 PolarHBondContact O-N 2.89Å; F372-T374 VanDerWaalsContact C-N 3.32Å; F372-T374 PolarHBondContact O-N 2.88Å; F372-G375 PolarHBondContact O-N 3.3Å; F372-G375 VanDerWaalsContact O-N 3.09Å; F372-V376 HydrophobicContact CD1-CG2 4.41Å; F372-V376 HydrophobicContact CD2-CG2 4.26Å; F372-V376 HydrophobicContact CE1-CG2 4.03Å; F372-V376 HydrophobicContact CE2-CG2 3.86Å; F372-V376 HydrophobicContact CZ-CG2 3.74Å; F372-V376 WeakPolarHBondContact O-CG2 3.23Å; F372-V376 PolarHBondContact O-N 3.02Å |
| 373 | S | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | -178.1 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | L360 G362 S369 A377 | L360-S373 WeakPolarHBondContact CB-OG 3.47Å; L360-S373 PolarHBondContact O-OG 3.12Å; G362-S373 PolarHBondContact N-OG 2.72Å; S369-S373 WeakPolarHBondContact O-CB 3.25Å; S369-S373 PolarHBondContact O-N 3.05Å; S369-S373 PolarHBondContact O-OG 3.36Å; S373-A377 PolarHBondContact O-N 3.02Å |
| 374 | T | 95.9 | Very high | 93.6 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | Y357 K370 V371 F372 V376 A377 F378 W399 | Y357-T374 HydrophobicContact CD2-CG2 4.02Å; Y357-T374 HydrophobicContact CE2-CG2 3.62Å; K370-T374 WeakPolarHBondContact O-CB 3.33Å; K370-T374 WeakPolarHBondContact O-CG2 3.21Å; K370-T374 PolarHBondContact O-N 2.92Å; K370-T374 PolarHBondContact O-OG1 3.43Å; V371-T374 PolarHBondContact O-OG1 3Å; F372-T374 VanDerWaalsContact C-N 3.32Å; F372-T374 PolarHBondContact O-N 2.88Å; T374-V376 PolarHBondContact O-N 3.43Å; T374-A377 WeakPolarHBondContact O-CB 3.19Å; T374-A377 PolarHBondContact O-N 3.26Å; T374-F378 VanDerWaalsContact O-CD2 3.26Å; T374-F378 WeakPolarHBondContact O-CD2 3.39Å; T374-F378 PolarHBondContact O-N 3.47Å; T374-W399 PolarHBondContact OG1-NE1 2.83Å; T374-W399 VanDerWaalsContact OG1-NE1 3.16Å |
| 375 | G | 97.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V371 F372 A377 F378 A379 | V371-G375 PolarHBondContact O-N 2.89Å; F372-G375 PolarHBondContact O-N 3.3Å; F372-G375 VanDerWaalsContact O-N 3.09Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 3.27Å; G375-F378 PolarHBondContact O-N 2.89Å; G375-A379 WeakPolarHBondContact O-CB 3.46Å; G375-A379 PolarHBondContact O-N 3.5Å |
| 376 | V | 97.8 | Very high | 93.9 | Very high | 50 Ų | 50 | 45 Ų | 45 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | I356 L360 F372 T374 A379 F380 | I356-V376 HydrophobicContact CG2-CB 4.23Å; I356-V376 HydrophobicContact CG2-CG1 3.88Å; L360-V376 HydrophobicContact CD1-CB 3.7Å; L360-V376 HydrophobicContact CD1-CG1 3.74Å; L360-V376 HydrophobicContact CD1-CG2 3.95Å; F372-V376 HydrophobicContact CD1-CG2 4.41Å; F372-V376 HydrophobicContact CD2-CG2 4.26Å; F372-V376 HydrophobicContact CE1-CG2 4.03Å; F372-V376 HydrophobicContact CE2-CG2 3.86Å; F372-V376 HydrophobicContact CZ-CG2 3.74Å; F372-V376 WeakPolarHBondContact O-CG2 3.23Å; F372-V376 PolarHBondContact O-N 3.02Å; T374-V376 PolarHBondContact O-N 3.43Å; V376-A379 PolarHBondContact O-N 2.93Å; V376-F380 WeakPolarHBondContact O-CB 3.26Å; V376-F380 PolarHBondContact O-N 3.22Å |
| 377 | A | 97.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L352 I356 S373 T374 G375 F380 V381 | L352-A377 HydrophobicContact CD2-CB 4.45Å; I356-A377 HydrophobicContact CG2-CB 4.08Å; S373-A377 PolarHBondContact O-N 3.02Å; T374-A377 WeakPolarHBondContact O-CB 3.19Å; T374-A377 PolarHBondContact O-N 3.26Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 3.27Å; A377-F380 PolarHBondContact O-N 2.95Å; A377-V381 WeakPolarHBondContact O-CG2 3.13Å; A377-V381 PolarHBondContact O-N 3.5Å |
| 378 | F | 97.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | 175.6 | -82.8 | -74.1 | 0 | 0 | 0 | 112.9 | W341 T374 G375 F380 V381 C382 N398 W399 V402 | W341-F378 HydrophobicContact CD2-CE1 4.12Å; W341-F378 HydrophobicContact CD2-CZ 4.16Å; W341-F378 AromaticContact CE2-CE1 3.42Å; W341-F378 VanDerWaalsContact CE2-CE1 3.42Å; W341-F378 AromaticContact CE2-CZ 3.77Å; W341-F378 HydrophobicContact CG-CZ 4.42Å; W341-F378 HydrophobicContact CH2-CD1 4.42Å; W341-F378 AromaticContact CH2-CE1 3.9Å; W341-F378 HydrophobicContact CH2-CE1 3.9Å; W341-F378 HydrophobicContact CZ2-CD1 4.18Å; W341-F378 AromaticContact CZ2-CE1 3.35Å; W341-F378 HydrophobicContact CZ2-CE1 3.35Å; W341-F378 HydrophobicContact CZ2-CZ 4.17Å; W341-F378 AromaticContact NE1-CE1 3.73Å; W341-F378 AromaticContact NE1-CZ 3.73Å; T374-F378 VanDerWaalsContact O-CD2 3.26Å; T374-F378 WeakPolarHBondContact O-CD2 3.39Å; T374-F378 PolarHBondContact O-N 3.47Å; G375-F378 PolarHBondContact O-N 2.89Å; F378-F380 VanDerWaalsContact C-N 3.32Å; F378-F380 PolarHBondContact O-N 2.79Å; F378-V381 PolarHBondContact O-N 3.1Å; F378-C382 WeakPolarHBondContact O-CB 3.15Å; F378-C382 PolarHBondContact O-N 3.19Å; F378-N398 HydrophobicContact CD1-CB 4.2Å; F378-N398 HydrophobicContact CE1-CB 3.38Å; F378-N398 HydrophobicContact CZ-CB 3.84Å; F378-W399 HydrophobicContact CB-CB 4.24Å; F378-W399 HydrophobicContact CD1-CB 4.45Å; F378-W399 HydrophobicContact CD2-CB 3.56Å; F378-W399 AromaticContact CD2-CD1 3.62Å; F378-W399 AromaticContact CD2-CG 3.86Å; F378-W399 HydrophobicContact CD2-CG 3.86Å; F378-W399 HydrophobicContact CE2-CB 3.99Å; F378-W399 HydrophobicContact CE2-CG 4.43Å; F378-W399 HydrophobicContact CG-CB 3.83Å; F378-W399 HydrophobicContact CG-CG 4.42Å; F378-V402 HydrophobicContact CE2-CG2 4.31Å; F378-V402 HydrophobicContact CZ-CG2 4.17Å |
| 379 | A | 97 | Very high | 93.7 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 49% | 0.488 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G375 V376 C382 F383 | G375-A379 WeakPolarHBondContact O-CB 3.46Å; G375-A379 PolarHBondContact O-N 3.5Å; V376-A379 PolarHBondContact O-N 2.93Å; A379-C382 PolarHBondContact O-N 3.44Å; A379-F383 WeakPolarHBondContact O-CB 3.44Å; A379-F383 PolarHBondContact O-N 2.8Å |
| 380 | F | 97.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 6% | 0.057 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.9 | 176.8 | -90.9 | 0 | 0 | 0 | 112 | W142 L146 L149 L183 I186 W351 L352 I356 V376 A377 F378 C382 F383 W384 | W142-F380 HydrophobicContact CH2-CE2 4.48Å; W142-F380 HydrophobicContact CZ3-CD2 4.34Å; W142-F380 HydrophobicContact CZ3-CE2 4.06Å; L146-F380 HydrophobicContact CD2-CD2 4.15Å; L146-F380 HydrophobicContact CD2-CE2 3.99Å; L149-F380 HydrophobicContact CD2-CE2 4.13Å; L149-F380 HydrophobicContact CD2-CZ 4.17Å; L183-F380 HydrophobicContact CD2-CE1 3.69Å; L183-F380 HydrophobicContact CD2-CZ 3.64Å; I186-F380 HydrophobicContact CD1-CE2 4.06Å; I186-F380 HydrophobicContact CD1-CZ 4.03Å; W351-F380 HydrophobicContact CE3-CE1 4.26Å; W351-F380 HydrophobicContact CH2-CD1 4.18Å; W351-F380 AromaticContact CH2-CE1 3.4Å; W351-F380 HydrophobicContact CH2-CE1 3.4Å; W351-F380 HydrophobicContact CH2-CE2 4.03Å; W351-F380 AromaticContact CH2-CZ 3.31Å; W351-F380 HydrophobicContact CH2-CZ 3.31Å; W351-F380 HydrophobicContact CZ2-CE1 4.49Å; W351-F380 HydrophobicContact CZ2-CZ 4.26Å; W351-F380 AromaticContact CZ3-CD1 3.74Å; W351-F380 HydrophobicContact CZ3-CD1 3.74Å; W351-F380 AromaticContact CZ3-CE1 3.24Å; W351-F380 HydrophobicContact CZ3-CE1 3.24Å; W351-F380 AromaticContact CZ3-CZ 3.71Å; W351-F380 HydrophobicContact CZ3-CZ 3.71Å; L352-F380 HydrophobicContact CD2-CD1 3.93Å; I356-F380 HydrophobicContact CD1-CB 3.55Å; I356-F380 HydrophobicContact CD1-CD1 3.74Å; I356-F380 HydrophobicContact CD1-CD2 4.07Å; I356-F380 HydrophobicContact CD1-CG 3.48Å; I356-F380 VanDerWaalsContact CD1-CG 3.48Å; V376-F380 WeakPolarHBondContact O-CB 3.26Å; V376-F380 PolarHBondContact O-N 3.22Å; A377-F380 PolarHBondContact O-N 2.95Å; F378-F380 VanDerWaalsContact C-N 3.32Å; F378-F380 PolarHBondContact O-N 2.79Å; F380-C382 VanDerWaalsContact C-N 3.32Å; F380-C382 PolarHBondContact O-N 3.14Å; F380-F383 WeakPolarHBondContact O-CB 3.05Å; F380-F383 PolarHBondContact O-N 2.99Å; F380-W384 HydrophobicContact CE1-CB 4.26Å; F380-W384 WeakPolarHBondContact O-CB 3.31Å; F380-W384 PolarHBondContact O-N 2.75Å |
| 381 | V | 96.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | W341 L352 A377 F378 F383 W384 H385 W394 | W341-V381 HydrophobicContact CH2-CG1 4.19Å; L352-V381 HydrophobicContact CD1-CG2 3.62Å; L352-V381 HydrophobicContact CD2-CG2 3.7Å; L352-V381 HydrophobicContact CG-CG2 4.27Å; A377-V381 WeakPolarHBondContact O-CG2 3.13Å; A377-V381 PolarHBondContact O-N 3.5Å; F378-V381 PolarHBondContact O-N 3.1Å; V381-F383 VanDerWaalsContact C-N 3.34Å; V381-F383 PolarHBondContact O-N 3.43Å; V381-W384 PolarHBondContact O-N 3.49Å; V381-H385 PolarHBondContact O-CD2 3.25Å; V381-H385 PolarHBondContact O-N 3.33Å; V381-W394 HydrophobicContact CG1-CH2 3.82Å; V381-W394 HydrophobicContact CG1-CZ3 3.83Å |
| 382 | C | 95.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 10% | 0.095 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | F378 A379 F380 G387 A395 | F378-C382 WeakPolarHBondContact O-CB 3.15Å; F378-C382 PolarHBondContact O-N 3.19Å; A379-C382 PolarHBondContact O-N 3.44Å; F380-C382 VanDerWaalsContact C-N 3.32Å; F380-C382 PolarHBondContact O-N 3.14Å; C382-G387 WeakPolarHBondContact O-CA 3.38Å; C382-G387 PolarHBondContact O-N 3.44Å; C382-A395 HydrophobicContact CB-CB 3.94Å |
| 383 | F | 94.9 | Very high | 93.8 | Very high | 69 Ų | 69 | 47 Ų | 47 | 30% | 0.303 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -43 | 176.4 | 172.4 | -105.1 | 0 | 0 | 0 | 112.1 | L146 L149 H153 A379 F380 V381 H385 G386 | L146-F383 HydrophobicContact CD2-CE1 4.24Å; L149-F383 HydrophobicContact CB-CE1 4.26Å; L149-F383 HydrophobicContact CD2-CD1 4.07Å; L149-F383 HydrophobicContact CD2-CE1 3.76Å; L149-F383 HydrophobicContact CG-CE1 3.92Å; H153-F383 AromaticContact CD2-CE2 3.5Å; H153-F383 VanDerWaalsContact CD2-CE2 3.5Å; H153-F383 WeakPolarHBondContact CD2-CE2 3.11Å; H153-F383 AromaticContact CD2-CZ 3.88Å; H153-F383 PolarHBondContact CE1-O 2.88Å; H153-F383 VanDerWaalsContact CE1-O 3.27Å; H153-F383 AromaticContact NE2-CD2 3.96Å; H153-F383 AromaticContact NE2-CE2 3.79Å; H153-F383 PolarHBondContact NE2-O 2.7Å; A379-F383 WeakPolarHBondContact O-CB 3.44Å; A379-F383 PolarHBondContact O-N 2.8Å; F380-F383 WeakPolarHBondContact O-CB 3.05Å; F380-F383 PolarHBondContact O-N 2.99Å; V381-F383 VanDerWaalsContact C-N 3.34Å; V381-F383 PolarHBondContact O-N 3.43Å; F383-H385 VanDerWaalsContact C-N 3.31Å; F383-H385 PolarHBondContact O-N 3.15Å; F383-G386 PolarHBondContact O-N 3.47Å |
| 384 | W | 95.2 | Very high | 93.8 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.4 | -35.8 | 178.8 | 179.6 | 72.2 | 0 | 0 | 0 | 112.4 | A179 L183 F380 V381 G386 | A179-W384 PolarHBondContact O-NE1 3.47Å; L183-W384 HydrophobicContact CD1-CH2 4.49Å; L183-W384 HydrophobicContact CD1-CZ2 3.8Å; F380-W384 HydrophobicContact CE1-CB 4.26Å; F380-W384 WeakPolarHBondContact O-CB 3.31Å; F380-W384 PolarHBondContact O-N 2.75Å; V381-W384 PolarHBondContact O-N 3.49Å; W384-G386 PolarHBondContact O-N 3.38Å |
| 385 | H | 89.5 | Confident | 93.8 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 32% | 0.315 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.9 | 179.7 | -80.1 | -68.7 | 0 | 0 | 0 | 116 | V381 F383 L391 | V381-H385 PolarHBondContact O-CD2 3.25Å; V381-H385 PolarHBondContact O-N 3.33Å; F383-H385 VanDerWaalsContact C-N 3.31Å; F383-H385 PolarHBondContact O-N 3.15Å; H385-L391 HydrophobicContact CB-CD1 3.66Å; H385-L391 HydrophobicContact CB-CD2 4.09Å; H385-L391 HydrophobicContact CB-CG 4.46Å; H385-L391 VanDerWaalsContact O-CD1 3.24Å; H385-L391 WeakPolarHBondContact O-CD1 3.29Å |
| 386 | G | 83.2 | Confident | 93.8 | Very high | 26 Ų | 26 | 51.1 Ų | 51.1 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 119.3 | -13.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | H153 F383 W384 Q388 | H153-G386 VanDerWaalsContact CE1-CA 3.44Å; H153-G386 WeakPolarHBondContact CE1-CA 3.02Å; F383-G386 PolarHBondContact O-N 3.47Å; W384-G386 PolarHBondContact O-N 3.38Å; G386-Q388 PolarHBondContact O-N 3.4Å; G386-Q388 VanDerWaalsContact O-N 3.08Å |
| 387 | G | 81.6 | Confident | 93.8 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | trans | 59.9 | 21.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C382 R392 | C382-G387 WeakPolarHBondContact O-CA 3.38Å; C382-G387 PolarHBondContact O-N 3.44Å; G387-R392 PolarHBondContact O-NE 2.82Å; G387-R392 PolarHBondContact O-NH2 3.39Å | ||
| 388 | Q | 88.7 | Confident | 93.8 | Very high | 114 Ų | 114 | 50.4 Ų | 50.4 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | trans | -64.4 | 157.5 | 173.3 | -64 | -65.4 | -16.7 | 0 | 0 | 111.3 | G386 Y390 L391 R392 | G386-Q388 PolarHBondContact O-N 3.4Å; G386-Q388 VanDerWaalsContact O-N 3.08Å; Q388-Y390 VanDerWaalsContact C-N 3.34Å; Q388-Y390 HydrophobicContact CB-CD1 3.68Å; Q388-Y390 HydrophobicContact CB-CE1 3.38Å; Q388-Y390 HydrophobicContact CG-CE1 3.95Å; Q388-Y390 PolarHBondContact O-N 3.1Å; Q388-L391 HydrophobicContact CB-CD1 4.13Å; Q388-L391 HydrophobicContact CB-CG 4.4Å; Q388-L391 WeakPolarHBondContact O-CB 3.36Å; Q388-L391 PolarHBondContact O-N 2.98Å; Q388-R392 WeakPolarHBondContact O-CG 3.43Å; Q388-R392 PolarHBondContact O-N 3.34Å | ||
| 389 | D | 90.5 | Very high | 93.8 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | -172.5 | -71.2 | -27.1 | 0 | 0 | 0 | 113.1 | L391 R392 Y393 | D389-L391 VanDerWaalsContact C-N 3.3Å; D389-L391 PolarHBondContact O-N 3.42Å; D389-R392 WeakPolarHBondContact O-CB 3.24Å; D389-R392 PolarHBondContact O-N 2.85Å; D389-R392 VanDerWaalsContact O-N 3.15Å; D389-R392 IonicContact OD1-CZ 3.93Å; D389-R392 IonicContact OD1-NE 3.83Å; D389-R392 IonicContact OD1-NH1 3.11Å; D389-R392 PolarHBondContact OD1-NH1 3.24Å; D389-Y393 HydrophobicContact CB-CE2 4.36Å; D389-Y393 WeakPolarHBondContact O-CD2 3.39Å; D389-Y393 PolarHBondContact O-N 3.23Å |
| 390 | Y | 91.9 | Very high | 93.8 | Very high | 85 Ų | 85 | 52 Ų | 52 | 33% | 0.333 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 176.4 | 72.9 | -87.5 | 0 | 0 | 0 | 112.7 | Q388 Y393 W394 V451 | Q388-Y390 VanDerWaalsContact C-N 3.34Å; Q388-Y390 HydrophobicContact CB-CD1 3.68Å; Q388-Y390 HydrophobicContact CB-CE1 3.38Å; Q388-Y390 HydrophobicContact CG-CE1 3.95Å; Q388-Y390 PolarHBondContact O-N 3.1Å; Y390-Y393 PolarHBondContact O-N 3.14Å; Y390-W394 WeakPolarHBondContact O-CB 3.36Å; Y390-W394 PolarHBondContact O-N 3.45Å; Y390-V451 WeakPolarHBondContact O-CG1 3.43Å |
| 391 | L | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 175.4 | -65.2 | 170.4 | 0 | 0 | 0 | 111.6 | H385 Q388 D389 W394 A395 F452 | H385-L391 HydrophobicContact CB-CD1 3.66Å; H385-L391 HydrophobicContact CB-CD2 4.09Å; H385-L391 HydrophobicContact CB-CG 4.46Å; H385-L391 VanDerWaalsContact O-CD1 3.24Å; H385-L391 WeakPolarHBondContact O-CD1 3.29Å; Q388-L391 HydrophobicContact CB-CD1 4.13Å; Q388-L391 HydrophobicContact CB-CG 4.4Å; Q388-L391 WeakPolarHBondContact O-CB 3.36Å; Q388-L391 PolarHBondContact O-N 2.98Å; D389-L391 VanDerWaalsContact C-N 3.3Å; D389-L391 PolarHBondContact O-N 3.42Å; L391-W394 HydrophobicContact CD2-CE3 4.49Å; L391-W394 PolarHBondContact O-N 3.32Å; L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.3Å; L391-A395 PolarHBondContact O-N 3.4Å; L391-F452 HydrophobicContact CD2-CD2 3.65Å; L391-F452 HydrophobicContact CD2-CE2 3.54Å |
| 392 | R | 95.3 | Very high | 93.7 | Very high | 144 Ų | 144 | 52.5 Ų | 52.5 | 54% | 0.543 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 176 | -63.2 | 171.4 | -170.8 | 172.1 | -5.1 | 110.9 | G387 Q388 D389 A395 L396 | G387-R392 PolarHBondContact O-NE 2.82Å; G387-R392 PolarHBondContact O-NH2 3.39Å; Q388-R392 WeakPolarHBondContact O-CG 3.43Å; Q388-R392 PolarHBondContact O-N 3.34Å; D389-R392 WeakPolarHBondContact O-CB 3.24Å; D389-R392 PolarHBondContact O-N 2.85Å; D389-R392 VanDerWaalsContact O-N 3.15Å; D389-R392 IonicContact OD1-CZ 3.93Å; D389-R392 IonicContact OD1-NE 3.83Å; D389-R392 IonicContact OD1-NH1 3.11Å; D389-R392 PolarHBondContact OD1-NH1 3.24Å; R392-A395 PolarHBondContact O-N 2.88Å; R392-L396 WeakPolarHBondContact O-CB 3.48Å; R392-L396 PolarHBondContact O-N 3.29Å |
| 393 | Y | 95.9 | Very high | 93.7 | Very high | 131 Ų | 131 | 54.1 Ų | 54.1 | 51% | 0.514 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 176.6 | -71.6 | -64.8 | 0 | 0 | 0 | 111.8 | D389 Y390 A395 L396 M397 T456 | D389-Y393 HydrophobicContact CB-CE2 4.36Å; D389-Y393 WeakPolarHBondContact O-CD2 3.39Å; D389-Y393 PolarHBondContact O-N 3.23Å; Y390-Y393 PolarHBondContact O-N 3.14Å; Y393-A395 PolarHBondContact O-N 3.4Å; Y393-L396 PolarHBondContact O-N 2.93Å; Y393-M397 WeakPolarHBondContact O-CB 3.34Å; Y393-M397 VanDerWaalsContact O-CG 3.22Å; Y393-M397 WeakPolarHBondContact O-CG 3.26Å; Y393-M397 PolarHBondContact O-N 3.22Å; Y393-T456 HydrophobicContact CD2-CG2 3.56Å; Y393-T456 HydrophobicContact CE2-CG2 4.01Å |
| 394 | W | 97 | Very high | 93.7 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 6% | 0.057 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.9 | 164.5 | 77.9 | 0 | 0 | 0 | 112.5 | W341 V381 Y390 L391 L396 M397 N398 V451 F452 | W341-W394 AromaticContact CH2-CH2 3.49Å; W341-W394 HydrophobicContact CH2-CH2 3.49Å; W341-W394 VanDerWaalsContact CH2-CH2 3.49Å; W341-W394 AromaticContact CH2-CZ2 3.59Å; W341-W394 HydrophobicContact CH2-CZ2 3.59Å; W341-W394 HydrophobicContact CH2-CZ3 4.44Å; W341-W394 AromaticContact CZ2-CH2 3.92Å; W341-W394 HydrophobicContact CZ2-CH2 3.92Å; W341-W394 AromaticContact CZ2-CZ2 3.58Å; W341-W394 HydrophobicContact CZ2-CZ2 3.58Å; V381-W394 HydrophobicContact CG1-CH2 3.82Å; V381-W394 HydrophobicContact CG1-CZ3 3.83Å; Y390-W394 WeakPolarHBondContact O-CB 3.36Å; Y390-W394 PolarHBondContact O-N 3.45Å; L391-W394 HydrophobicContact CD2-CE3 4.49Å; L391-W394 PolarHBondContact O-N 3.32Å; W394-L396 PolarHBondContact O-N 3.4Å; W394-M397 PolarHBondContact O-N 3.07Å; W394-N398 PolarHBondContact NE1-ND2 3.28Å; W394-N398 PolarHBondContact O-N 3.21Å; W394-N398 PolarHBondContact O-ND2 2.86Å; W394-V451 HydrophobicContact CB-CG1 4.42Å; W394-F452 HydrophobicContact CB-CB 4.19Å; W394-F452 VanDerWaalsContact CD1-CB 3.45Å; W394-F452 HydrophobicContact CD2-CB 4.22Å; W394-F452 AromaticContact CD2-CD2 3.66Å; W394-F452 HydrophobicContact CD2-CD2 3.66Å; W394-F452 HydrophobicContact CD2-CE2 4.42Å; W394-F452 HydrophobicContact CD2-CG 4.2Å; W394-F452 AromaticContact CE2-CD2 3.78Å; W394-F452 AromaticContact CE3-CD2 3.95Å; W394-F452 HydrophobicContact CE3-CD2 3.95Å; W394-F452 HydrophobicContact CE3-CE2 4.38Å; W394-F452 HydrophobicContact CG-CB 3.7Å; W394-F452 AromaticContact CG-CD2 3.99Å; W394-F452 HydrophobicContact CG-CD2 3.99Å; W394-F452 HydrophobicContact CG-CG 4.21Å; W394-F452 HydrophobicContact CH2-CD2 4.37Å; W394-F452 HydrophobicContact CH2-CE2 4.24Å; W394-F452 HydrophobicContact CZ2-CD2 4.16Å; W394-F452 HydrophobicContact CZ2-CE2 4.32Å; W394-F452 HydrophobicContact CZ3-CD2 4.29Å; W394-F452 HydrophobicContact CZ3-CE2 4.29Å; W394-F452 AromaticContact NE1-CG 3.96Å |
| 395 | A | 96.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C382 L391 R392 Y393 N398 W399 | C382-A395 HydrophobicContact CB-CB 3.94Å; L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.3Å; L391-A395 PolarHBondContact O-N 3.4Å; R392-A395 PolarHBondContact O-N 2.88Å; Y393-A395 PolarHBondContact O-N 3.4Å; A395-N398 PolarHBondContact O-N 2.98Å; A395-W399 WeakPolarHBondContact O-CB 3.33Å; A395-W399 PolarHBondContact O-N 3.06Å |
| 396 | L | 96.8 | Very high | 93.6 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 51% | 0.508 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 176.6 | -179.4 | 60.9 | 0 | 0 | 0 | 111.9 | R392 Y393 W394 N398 W399 A400 | R392-L396 WeakPolarHBondContact O-CB 3.48Å; R392-L396 PolarHBondContact O-N 3.29Å; Y393-L396 PolarHBondContact O-N 2.93Å; W394-L396 PolarHBondContact O-N 3.4Å; L396-N398 PolarHBondContact O-N 3.46Å; L396-W399 HydrophobicContact CD1-CE3 3.97Å; L396-W399 HydrophobicContact CD1-CZ3 4.34Å; L396-W399 PolarHBondContact O-N 3.24Å; L396-A400 VanDerWaalsContact O-CB 3.28Å; L396-A400 WeakPolarHBondContact O-CB 3.24Å; L396-A400 PolarHBondContact O-N 2.85Å |
| 397 | M | 97.1 | Very high | 94 | Very high | 46 Ų | 46 | 55 Ų | 55 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 177.6 | -73.8 | 175.5 | 75.1 | 0 | 0 | 112 | Y393 W394 G401 L447 V451 | Y393-M397 WeakPolarHBondContact O-CB 3.34Å; Y393-M397 VanDerWaalsContact O-CG 3.22Å; Y393-M397 WeakPolarHBondContact O-CG 3.26Å; Y393-M397 PolarHBondContact O-N 3.22Å; W394-M397 PolarHBondContact O-N 3.07Å; M397-G401 PolarHBondContact O-N 3.39Å; M397-L447 HydrophobicContact CE-CB 4.27Å; M397-L447 HydrophobicContact CE-CD2 3.72Å; M397-L447 HydrophobicContact CE-CG 3.76Å; M397-V451 HydrophobicContact SD-CG2 4.1Å |
| 398 | N | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 176.9 | -83.3 | -81.6 | 0 | 0 | 0 | 112.2 | W341 F378 W394 A395 L396 G401 V402 S448 | W341-N398 HydrophobicContact CZ2-CB 4.05Å; W341-N398 PolarHBondContact NE1-OD1 3.37Å; F378-N398 HydrophobicContact CD1-CB 4.2Å; F378-N398 HydrophobicContact CE1-CB 3.38Å; F378-N398 HydrophobicContact CZ-CB 3.84Å; W394-N398 PolarHBondContact NE1-ND2 3.28Å; W394-N398 PolarHBondContact O-N 3.21Å; W394-N398 PolarHBondContact O-ND2 2.86Å; A395-N398 PolarHBondContact O-N 2.98Å; L396-N398 PolarHBondContact O-N 3.46Å; N398-G401 PolarHBondContact O-N 3.29Å; N398-V402 WeakPolarHBondContact O-CG2 3.26Å; N398-V402 PolarHBondContact O-N 2.88Å; N398-S448 PolarHBondContact ND2-OG 2.97Å |
| 399 | W | 97.4 | Very high | 94.2 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 176 | -178.4 | 45.8 | 0 | 0 | 0 | 111 | V371 T374 F378 A395 L396 G401 V402 L403 | V371-W399 HydrophobicContact CG1-CZ2 3.8Å; T374-W399 PolarHBondContact OG1-NE1 2.83Å; T374-W399 VanDerWaalsContact OG1-NE1 3.16Å; F378-W399 HydrophobicContact CB-CB 4.24Å; F378-W399 HydrophobicContact CD1-CB 4.45Å; F378-W399 HydrophobicContact CD2-CB 3.56Å; F378-W399 AromaticContact CD2-CD1 3.62Å; F378-W399 AromaticContact CD2-CG 3.86Å; F378-W399 HydrophobicContact CD2-CG 3.86Å; F378-W399 HydrophobicContact CE2-CB 3.99Å; F378-W399 HydrophobicContact CE2-CG 4.43Å; F378-W399 HydrophobicContact CG-CB 3.83Å; F378-W399 HydrophobicContact CG-CG 4.42Å; A395-W399 WeakPolarHBondContact O-CB 3.33Å; A395-W399 PolarHBondContact O-N 3.06Å; L396-W399 HydrophobicContact CD1-CE3 3.97Å; L396-W399 HydrophobicContact CD1-CZ3 4.34Å; L396-W399 PolarHBondContact O-N 3.24Å; W399-G401 VanDerWaalsContact C-N 3.33Å; W399-G401 PolarHBondContact O-N 3.22Å; W399-V402 PolarHBondContact O-N 3.32Å; W399-L403 HydrophobicContact CD2-CD1 4.13Å; W399-L403 HydrophobicContact CH2-CD1 4.49Å; W399-L403 HydrophobicContact CZ2-CD1 3.93Å; W399-L403 WeakPolarHBondContact O-CG 3.46Å; W399-L403 PolarHBondContact O-N 3.29Å |
| 400 | A | 97.5 | Very high | 94.1 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L396 V402 L403 V404 | L396-A400 VanDerWaalsContact O-CB 3.28Å; L396-A400 WeakPolarHBondContact O-CB 3.24Å; L396-A400 PolarHBondContact O-N 2.85Å; A400-V402 PolarHBondContact O-N 2.94Å; A400-L403 PolarHBondContact O-N 3.42Å; A400-V404 WeakPolarHBondContact O-CB 3.41Å; A400-V404 WeakPolarHBondContact O-CG2 3.3Å; A400-V404 PolarHBondContact O-N 3.38Å |
| 401 | G | 96.5 | Very high | 93.8 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M397 N398 W399 V404 E405 | M397-G401 PolarHBondContact O-N 3.39Å; N398-G401 PolarHBondContact O-N 3.29Å; W399-G401 VanDerWaalsContact C-N 3.33Å; W399-G401 PolarHBondContact O-N 3.22Å; G401-V404 PolarHBondContact O-N 3.26Å; G401-E405 WeakPolarHBondContact O-CB 3.49Å; G401-E405 PolarHBondContact O-N 2.86Å |
| 402 | V | 95.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | F337 F378 N398 W399 A400 N406 | F337-V402 HydrophobicContact CB-CG2 3.84Å; F378-V402 HydrophobicContact CE2-CG2 4.31Å; F378-V402 HydrophobicContact CZ-CG2 4.17Å; N398-V402 WeakPolarHBondContact O-CG2 3.26Å; N398-V402 PolarHBondContact O-N 2.88Å; W399-V402 PolarHBondContact O-N 3.32Å; A400-V402 PolarHBondContact O-N 2.94Å; V402-N406 WeakPolarHBondContact CG1-ND2 3.28Å; V402-N406 WeakPolarHBondContact O-CB 3.33Å; V402-N406 VanDerWaalsContact O-CG 3.27Å; V402-N406 PolarHBondContact O-N 2.94Å; V402-N406 PolarHBondContact O-ND2 3.5Å |
| 403 | L | 95.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 177.3 | -70.2 | -176.8 | 0 | 0 | 0 | 111.7 | V371 W399 A400 N406 A407 | V371-L403 HydrophobicContact CB-CD2 4.36Å; V371-L403 HydrophobicContact CG1-CD1 4.41Å; V371-L403 HydrophobicContact CG1-CD2 4.33Å; V371-L403 HydrophobicContact CG2-CD2 3.81Å; W399-L403 HydrophobicContact CD2-CD1 4.13Å; W399-L403 HydrophobicContact CH2-CD1 4.49Å; W399-L403 HydrophobicContact CZ2-CD1 3.93Å; W399-L403 WeakPolarHBondContact O-CG 3.46Å; W399-L403 PolarHBondContact O-N 3.29Å; A400-L403 PolarHBondContact O-N 3.42Å; L403-N406 PolarHBondContact O-N 3.32Å; L403-A407 WeakPolarHBondContact O-CB 3.38Å; L403-A407 PolarHBondContact O-N 3.02Å |
| 404 | V | 94.9 | Very high | 92 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | A400 G401 N406 A407 I408 | A400-V404 WeakPolarHBondContact O-CB 3.41Å; A400-V404 WeakPolarHBondContact O-CG2 3.3Å; A400-V404 PolarHBondContact O-N 3.38Å; G401-V404 PolarHBondContact O-N 3.26Å; V404-N406 VanDerWaalsContact C-N 3.3Å; V404-N406 PolarHBondContact O-N 2.92Å; V404-A407 PolarHBondContact O-N 2.92Å; V404-I408 HydrophobicContact CG1-CD1 3.68Å; V404-I408 HydrophobicContact CG1-CG1 4.3Å; V404-I408 WeakPolarHBondContact O-CB 3.38Å; V404-I408 VanDerWaalsContact O-CG1 3.27Å; V404-I408 WeakPolarHBondContact O-CG1 3.44Å; V404-I408 PolarHBondContact O-N 3.43Å |
| 405 | E | 93.3 | Very high | 91.1 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59 | -42.6 | 176.9 | -171.4 | -171.7 | 130 | 0 | 0 | 111.7 | S336 F337 T338 G401 R409 | S336-E405 VanDerWaalsContact CB-OE2 3.31Å; S336-E405 WeakPolarHBondContact CB-OE2 3.44Å; F337-E405 PolarHBondContact N-OE2 3.04Å; T338-E405 WeakPolarHBondContact CB-OE1 3.41Å; T338-E405 PolarHBondContact N-OE2 3.01Å; T338-E405 VanDerWaalsContact OG1-CD 3.23Å; T338-E405 PolarHBondContact OG1-OE1 3.47Å; T338-E405 PolarHBondContact OG1-OE2 3.27Å; G401-E405 WeakPolarHBondContact O-CB 3.49Å; G401-E405 PolarHBondContact O-N 2.86Å; E405-R409 VanDerWaalsContact O-CB 3.31Å; E405-R409 WeakPolarHBondContact O-CB 3.5Å; E405-R409 PolarHBondContact O-N 3.22Å |
| 406 | N | 90.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 69.5 Ų | 69.5 | 18% | 0.176 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68 | -39.6 | 176.9 | -78.4 | -55.7 | 0 | 0 | 0 | 112.8 | K370 V402 L403 V404 R409 S410 | K370-N406 WeakPolarHBondContact CE-ND2 3.34Å; K370-N406 PolarHBondContact NZ-OD1 2.87Å; V402-N406 WeakPolarHBondContact CG1-ND2 3.28Å; V402-N406 WeakPolarHBondContact O-CB 3.33Å; V402-N406 VanDerWaalsContact O-CG 3.27Å; V402-N406 PolarHBondContact O-N 2.94Å; V402-N406 PolarHBondContact O-ND2 3.5Å; L403-N406 PolarHBondContact O-N 3.32Å; V404-N406 VanDerWaalsContact C-N 3.3Å; V404-N406 PolarHBondContact O-N 2.92Å; N406-R409 PolarHBondContact O-N 2.87Å; N406-S410 WeakPolarHBondContact O-CB 3.47Å; N406-S410 PolarHBondContact O-N 2.93Å |
| 407 | A | 90.8 | Very high | 89.6 | Confident | 62 Ų | 62 | 68 Ų | 68 | 51% | 0.512 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L403 V404 R409 S410 L411 | L403-A407 WeakPolarHBondContact O-CB 3.38Å; L403-A407 PolarHBondContact O-N 3.02Å; V404-A407 PolarHBondContact O-N 2.92Å; A407-R409 VanDerWaalsContact C-N 3.33Å; A407-R409 PolarHBondContact O-N 3.46Å; A407-S410 WeakPolarHBondContact O-CB 3.41Å; A407-S410 PolarHBondContact O-N 3.37Å; A407-L411 WeakPolarHBondContact O-CB 3.35Å; A407-L411 PolarHBondContact O-N 2.87Å |
| 408 | I | 89.3 | Confident | 88.9 | Confident | 60 Ų | 60 | 69 Ų | 69 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 174.1 | -71 | 172.8 | 0 | 0 | 0 | 110.3 | V404 S410 L411 F412 L437 | V404-I408 HydrophobicContact CG1-CD1 3.68Å; V404-I408 HydrophobicContact CG1-CG1 4.3Å; V404-I408 WeakPolarHBondContact O-CB 3.38Å; V404-I408 VanDerWaalsContact O-CG1 3.27Å; V404-I408 WeakPolarHBondContact O-CG1 3.44Å; V404-I408 PolarHBondContact O-N 3.43Å; I408-S410 VanDerWaalsContact C-N 3.32Å; I408-S410 PolarHBondContact O-N 2.87Å; I408-L411 WeakPolarHBondContact O-CB 3.28Å; I408-L411 PolarHBondContact O-N 3.27Å; I408-F412 HydrophobicContact CG2-CD2 3.58Å; I408-F412 HydrophobicContact CG2-CE2 3.56Å; I408-F412 VanDerWaalsContact O-CD2 3.22Å; I408-F412 WeakPolarHBondContact O-CD2 3.49Å; I408-F412 PolarHBondContact O-N 2.88Å; I408-L437 HydrophobicContact CG2-CD1 4.21Å |
| 409 | R | 85.9 | Confident | 88.2 | Confident | 147 Ų | 147 | 75.4 Ų | 75.4 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 177.9 | -173.4 | 175.8 | -178 | 164.4 | -0.5 | 112.6 | M1 E405 N406 A407 G413 | M1-R409 VanDerWaalsContact N-CZ 3.27Å; E405-R409 VanDerWaalsContact O-CB 3.31Å; E405-R409 WeakPolarHBondContact O-CB 3.5Å; E405-R409 PolarHBondContact O-N 3.22Å; N406-R409 PolarHBondContact O-N 2.87Å; A407-R409 VanDerWaalsContact C-N 3.33Å; A407-R409 PolarHBondContact O-N 3.46Å; R409-G413 PolarHBondContact O-N 3.18Å |
| 410 | S | 86.6 | Confident | 87.5 | Confident | 88 Ų | 88 | 75.3 Ų | 75.3 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | 175.8 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | N406 A407 I408 G413 S414 | N406-S410 WeakPolarHBondContact O-CB 3.47Å; N406-S410 PolarHBondContact O-N 2.93Å; A407-S410 WeakPolarHBondContact O-CB 3.41Å; A407-S410 PolarHBondContact O-N 3.37Å; I408-S410 VanDerWaalsContact C-N 3.32Å; I408-S410 PolarHBondContact O-N 2.87Å; S410-G413 CarbonylContact O-C 3.56Å; S410-G413 PolarHBondContact O-N 3.11Å; S410-S414 PolarHBondContact O-N 2.85Å; S410-S414 VanDerWaalsContact O-N 3.11Å |
| 411 | L | 86.4 | Confident | 86.7 | Confident | 98 Ų | 98 | 74.8 Ų | 74.8 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -51.4 | 177.6 | -176.6 | 65.9 | 0 | 0 | 0 | 110.6 | A407 I408 G413 S414 L417 | A407-L411 WeakPolarHBondContact O-CB 3.35Å; A407-L411 PolarHBondContact O-N 2.87Å; I408-L411 WeakPolarHBondContact O-CB 3.28Å; I408-L411 PolarHBondContact O-N 3.27Å; L411-G413 PolarHBondContact O-N 3.38Å; L411-S414 WeakPolarHBondContact O-CB 3.28Å; L411-S414 PolarHBondContact O-N 3.42Å; L411-S414 VanDerWaalsContact O-N 3.14Å; L411-S414 PolarHBondContact O-OG 3.37Å; L411-L417 HydrophobicContact CD1-CD1 3.36Å; L411-L417 HydrophobicContact CD2-CD1 4.43Å; L411-L417 HydrophobicContact CG-CD1 3.51Å; L411-L417 WeakPolarHBondContact O-CD1 3.31Å |
| 412 | F | 82.8 | Confident | 86 | Confident | 100 Ų | 100 | 78.8 Ų | 78.8 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.4 | -18.9 | 175.9 | -74.9 | -65.7 | 0 | 0 | 0 | 114.1 | I408 V421 L437 | I408-F412 HydrophobicContact CG2-CD2 3.58Å; I408-F412 HydrophobicContact CG2-CE2 3.56Å; I408-F412 VanDerWaalsContact O-CD2 3.22Å; I408-F412 WeakPolarHBondContact O-CD2 3.49Å; I408-F412 PolarHBondContact O-N 2.88Å; F412-V421 HydrophobicContact CD1-CG2 4.47Å; F412-L437 HydrophobicContact CE2-CD1 3.65Å; F412-L437 HydrophobicContact CZ-CD1 4.09Å |
| 413 | G | 77.9 | Confident | 85.5 | Confident | 53 Ų | 53 | 84 Ų | 84 | 55% | 0.546 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R409 S410 L411 | R409-G413 PolarHBondContact O-N 3.18Å; S410-G413 CarbonylContact O-C 3.56Å; S410-G413 PolarHBondContact O-N 3.11Å; L411-G413 PolarHBondContact O-N 3.38Å |
| 414 | S | 85.6 | Confident | 85.1 | Confident | 45 Ų | 45 | 87 Ų | 87 | 32% | 0.315 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -68.8 | 139.5 | 177.9 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | S410 L411 R416 L417 H418 | S410-S414 PolarHBondContact O-N 2.85Å; S410-S414 VanDerWaalsContact O-N 3.11Å; L411-S414 WeakPolarHBondContact O-CB 3.28Å; L411-S414 PolarHBondContact O-N 3.42Å; L411-S414 VanDerWaalsContact O-N 3.14Å; L411-S414 PolarHBondContact O-OG 3.37Å; S414-R416 VanDerWaalsContact C-N 3.26Å; S414-R416 PolarHBondContact O-N 2.98Å; S414-R416 VanDerWaalsContact O-N 3.16Å; S414-L417 PolarHBondContact O-N 3.49Å; S414-H418 VanDerWaalsContact O-CB 3.22Å; S414-H418 WeakPolarHBondContact O-CB 3.32Å; S414-H418 PolarHBondContact O-N 2.88Å |
| 415 | S | 80.2 | Confident | 84.6 | Confident | 104 Ų | 104 | 87.2 Ų | 87.2 | 73% | 0.727 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -54.3 | -39.9 | -172.8 | 52 | 0 | 0 | 0 | 0 | 113.6 | Y419 | S415-Y419 VanDerWaalsContact O-CB 3.28Å; S415-Y419 WeakPolarHBondContact O-CB 3.35Å; S415-Y419 PolarHBondContact O-N 3.49Å; S415-Y419 VanDerWaalsContact O-N 3.07Å |
| 416 | R | 81.5 | Confident | 84.3 | Confident | 213 Ų | 213 | 88.5 Ų | 88.5 | 80% | 0.804 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66 | -51.9 | 179.3 | -64 | -176.4 | -177.4 | -179.9 | 0.5 | 112.4 | S414 Y419 V420 | S414-R416 VanDerWaalsContact C-N 3.26Å; S414-R416 PolarHBondContact O-N 2.98Å; S414-R416 VanDerWaalsContact O-N 3.16Å; R416-Y419 PolarHBondContact O-N 3.34Å; R416-V420 VanDerWaalsContact O-CG2 3.31Å; R416-V420 WeakPolarHBondContact O-CG2 3.41Å; R416-V420 PolarHBondContact O-N 3.41Å; R416-V420 VanDerWaalsContact O-N 3.09Å |
| 417 | L | 80 | Confident | 84 | Confident | 66 Ų | 66 | 91.1 Ų | 91.1 | 35% | 0.346 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.9 | -35.6 | -178.6 | -72.6 | 172.4 | 0 | 0 | 0 | 111.8 | L411 S414 Y419 V420 V421 | L411-L417 HydrophobicContact CD1-CD1 3.36Å; L411-L417 HydrophobicContact CD2-CD1 4.43Å; L411-L417 HydrophobicContact CG-CD1 3.51Å; L411-L417 WeakPolarHBondContact O-CD1 3.31Å; S414-L417 PolarHBondContact O-N 3.49Å; L417-Y419 VanDerWaalsContact C-N 3.33Å; L417-Y419 PolarHBondContact O-N 2.95Å; L417-V420 PolarHBondContact O-N 3.48Å; L417-V421 VanDerWaalsContact O-CB 3.25Å; L417-V421 WeakPolarHBondContact O-CB 3.45Å; L417-V421 WeakPolarHBondContact O-CG2 3.28Å; L417-V421 PolarHBondContact O-N 2.95Å |
| 418 | H | 81.6 | Confident | 83.8 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 32% | 0.315 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 174.2 | -168.5 | -86.2 | 0 | 0 | 0 | 110.8 | S414 V421 E422 | S414-H418 VanDerWaalsContact O-CB 3.22Å; S414-H418 WeakPolarHBondContact O-CB 3.32Å; S414-H418 PolarHBondContact O-N 2.88Å; H418-V421 PolarHBondContact O-N 2.77Å; H418-E422 IonicContact CE1-OE1 3.14Å; H418-E422 PolarHBondContact CE1-OE1 2.83Å; H418-E422 IonicContact CE1-OE2 3.8Å; H418-E422 PolarHBondContact CE1-OE2 3.23Å; H418-E422 VanDerWaalsContact CE1-OE2 3.27Å; H418-E422 IonicContact ND1-OE1 2.88Å; H418-E422 IonicContact ND1-OE2 2.72Å; H418-E422 PolarHBondContact ND1-OE2 2.78Å; H418-E422 IonicContact NE2-OE1 3.44Å; H418-E422 WeakPolarHBondContact O-CB 3.32Å; H418-E422 WeakPolarHBondContact O-CG 3.46Å; H418-E422 PolarHBondContact O-N 2.81Å |
| 419 | Y | 82.5 | Confident | 83.7 | Confident | 135 Ų | 135 | 88.8 Ų | 88.8 | 53% | 0.529 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 176.8 | 177.9 | -97.9 | 0 | 0 | 0 | 112.6 | S415 R416 L417 V421 E422 Q423 | S415-Y419 VanDerWaalsContact O-CB 3.28Å; S415-Y419 WeakPolarHBondContact O-CB 3.35Å; S415-Y419 PolarHBondContact O-N 3.49Å; S415-Y419 VanDerWaalsContact O-N 3.07Å; R416-Y419 PolarHBondContact O-N 3.34Å; L417-Y419 VanDerWaalsContact C-N 3.33Å; L417-Y419 PolarHBondContact O-N 2.95Å; Y419-V421 VanDerWaalsContact C-N 3.33Å; Y419-V421 PolarHBondContact O-N 2.82Å; Y419-E422 PolarHBondContact O-N 3.44Å; Y419-Q423 HydrophobicContact CE1-CG 4.46Å; Y419-Q423 HydrophobicContact CE2-CG 4.37Å; Y419-Q423 VanDerWaalsContact CZ-OE1 3.27Å; Y419-Q423 WeakPolarHBondContact O-CG 3.28Å; Y419-Q423 PolarHBondContact O-N 2.96Å; Y419-Q423 PolarHBondContact OH-NE2 3.25Å; Y419-Q423 PolarHBondContact OH-OE1 2.93Å |
| 420 | V | 82.4 | Confident | 83.7 | Confident | 70 Ų | 70 | 84.5 Ų | 84.5 | 42% | 0.424 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | R416 L417 E422 N424 | R416-V420 VanDerWaalsContact O-CG2 3.31Å; R416-V420 WeakPolarHBondContact O-CG2 3.41Å; R416-V420 PolarHBondContact O-N 3.41Å; R416-V420 VanDerWaalsContact O-N 3.09Å; L417-V420 PolarHBondContact O-N 3.48Å; V420-E422 VanDerWaalsContact C-N 3.32Å; V420-N424 WeakPolarHBondContact O-CB 3.48Å; V420-N424 PolarHBondContact O-N 3.36Å; V420-N424 VanDerWaalsContact O-N 3.12Å; V420-N424 PolarHBondContact O-ND2 2.85Å |
| 421 | V | 82.3 | Confident | 83.8 | Confident | 31 Ų | 31 | 80.3 Ų | 80.3 | 19% | 0.188 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.1 | -38 | 178 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | F412 L417 H418 Y419 F425 R430 | F412-V421 HydrophobicContact CD1-CG2 4.47Å; L417-V421 VanDerWaalsContact O-CB 3.25Å; L417-V421 WeakPolarHBondContact O-CB 3.45Å; L417-V421 WeakPolarHBondContact O-CG2 3.28Å; L417-V421 PolarHBondContact O-N 2.95Å; H418-V421 PolarHBondContact O-N 2.77Å; Y419-V421 VanDerWaalsContact C-N 3.33Å; Y419-V421 PolarHBondContact O-N 2.82Å; V421-F425 HydrophobicContact CG1-CD2 4.34Å; V421-F425 WeakPolarHBondContact O-CB 3.38Å; V421-F425 PolarHBondContact O-N 3.34Å; V421-R430 HydrophobicContact CG1-CG 3.88Å |
| 422 | E | 81.7 | Confident | 84.1 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 44% | 0.444 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 179.2 | -81.8 | -167.7 | 143.5 | 0 | 0 | 113.5 | H418 Y419 V420 R430 | H418-E422 IonicContact CE1-OE1 3.14Å; H418-E422 PolarHBondContact CE1-OE1 2.83Å; H418-E422 IonicContact CE1-OE2 3.8Å; H418-E422 PolarHBondContact CE1-OE2 3.23Å; H418-E422 VanDerWaalsContact CE1-OE2 3.27Å; H418-E422 IonicContact ND1-OE1 2.88Å; H418-E422 IonicContact ND1-OE2 2.72Å; H418-E422 PolarHBondContact ND1-OE2 2.78Å; H418-E422 IonicContact NE2-OE1 3.44Å; H418-E422 WeakPolarHBondContact O-CB 3.32Å; H418-E422 WeakPolarHBondContact O-CG 3.46Å; H418-E422 PolarHBondContact O-N 2.81Å; Y419-E422 PolarHBondContact O-N 3.44Å; V420-E422 VanDerWaalsContact C-N 3.32Å; E422-R430 VanDerWaalsContact CA-NH2 3.34Å; E422-R430 PolarHBondContact O-NH2 3.44Å; E422-R430 IonicContact OE1-NH1 2.66Å |
| 423 | Q | 83.8 | Confident | 84.4 | Confident | 122 Ų | 122 | 78 Ų | 78 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -76.9 | -34.9 | -179.3 | -69.2 | -166 | -34 | 0 | 0 | 113.6 | Y419 | Y419-Q423 HydrophobicContact CE1-CG 4.46Å; Y419-Q423 HydrophobicContact CE2-CG 4.37Å; Y419-Q423 VanDerWaalsContact CZ-OE1 3.27Å; Y419-Q423 WeakPolarHBondContact O-CG 3.28Å; Y419-Q423 PolarHBondContact O-N 2.96Å; Y419-Q423 PolarHBondContact OH-NE2 3.25Å; Y419-Q423 PolarHBondContact OH-OE1 2.93Å |
| 424 | N | 86.4 | Confident | 85 | Confident | 114 Ų | 114 | 77 Ų | 77 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -97.6 | -21.8 | -172.5 | -66.2 | -64.7 | 0 | 0 | 0 | 114.3 | V420 | V420-N424 WeakPolarHBondContact O-CB 3.48Å; V420-N424 PolarHBondContact O-N 3.36Å; V420-N424 VanDerWaalsContact O-N 3.12Å; V420-N424 PolarHBondContact O-ND2 2.85Å |
| 425 | F | 85.1 | Confident | 85.3 | Confident | 88 Ų | 88 | 74.9 Ų | 74.9 | 39% | 0.386 | 38% | 0.381 | S | S | . | . | trans | -121.1 | 127.3 | -174.3 | -65.1 | -79.5 | 0 | 0 | 0 | 112.9 | V421 T429 R430 | V421-F425 HydrophobicContact CG1-CD2 4.34Å; V421-F425 WeakPolarHBondContact O-CB 3.38Å; V421-F425 PolarHBondContact O-N 3.34Å; F425-T429 HydrophobicContact CD1-CG2 3.5Å; F425-T429 HydrophobicContact CE1-CG2 4.07Å; F425-R430 HydrophobicContact CB-CG 3.84Å; F425-R430 PolarHBondContact O-NE 3.29Å; F425-R430 PolarHBondContact O-NH2 3.49Å | ||
| 426 | S | 86.5 | Confident | 86 | Confident | 66 Ų | 66 | 74 Ų | 74 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | trans | -60 | 156.3 | 166.3 | 79.8 | 0 | 0 | 0 | 0 | 111.2 | A428 T429 R430 | S426-A428 PolarHBondContact O-N 3.39Å; S426-A428 PolarHBondContact OG-N 2.6Å; S426-T429 PolarHBondContact O-N 2.86Å; S426-T429 VanDerWaalsContact O-N 3.08Å; S426-T429 PolarHBondContact OG-N 2.94Å; S426-T429 VanDerWaalsContact OG-N 3.08Å; S426-T429 PolarHBondContact OG-OG1 2.82Å; S426-R430 WeakPolarHBondContact O-CG 3.37Å; S426-R430 PolarHBondContact O-N 3.05Å | ||
| 427 | L | 84.6 | Confident | 86.5 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.5 | -36.7 | 175.8 | -67.5 | 172.5 | 0 | 0 | 0 | 112.2 | S6 R430 R431 | S6-L427 PolarHBondContact OG-O 3.37Å; L427-R430 PolarHBondContact O-N 2.94Å; L427-R431 PolarHBondContact O-N 3.44Å |
| 428 | A | 86.3 | Confident | 87.2 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S6 L8 S426 R431 R432 | S6-A428 VanDerWaalsContact OG-CA 3.29Å; S6-A428 WeakPolarHBondContact OG-CA 3.18Å; S6-A428 PolarHBondContact OG-N 3Å; L8-A428 HydrophobicContact CD2-CB 3.97Å; S426-A428 PolarHBondContact O-N 3.39Å; S426-A428 PolarHBondContact OG-N 2.6Å; A428-R431 PolarHBondContact O-N 2.87Å; A428-R432 WeakPolarHBondContact O-CG 3.48Å; A428-R432 PolarHBondContact O-N 2.98Å |
| 429 | T | 87.5 | Confident | 87.8 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 176.9 | -45.3 | 0 | 0 | 0 | 0 | 111.4 | F425 S426 R431 R432 C433 | F425-T429 HydrophobicContact CD1-CG2 3.5Å; F425-T429 HydrophobicContact CE1-CG2 4.07Å; S426-T429 PolarHBondContact O-N 2.86Å; S426-T429 VanDerWaalsContact O-N 3.08Å; S426-T429 PolarHBondContact OG-N 2.94Å; S426-T429 VanDerWaalsContact OG-N 3.08Å; S426-T429 PolarHBondContact OG-OG1 2.82Å; T429-R431 VanDerWaalsContact C-N 3.31Å; T429-R431 PolarHBondContact O-N 2.77Å; T429-R432 PolarHBondContact O-N 3.44Å; T429-R432 VanDerWaalsContact O-N 3.16Å; T429-C433 PolarHBondContact O-N 3.06Å; T429-C433 PolarHBondContact O-SG 3.22Å; T429-C433 VanDerWaalsContact O-SG 3.34Å |
| 430 | R | 86.6 | Confident | 88.4 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 174.4 | -65.6 | 178.4 | -146.1 | 171.6 | 9.6 | 111.8 | V421 E422 F425 S426 L427 C433 A434 | V421-R430 HydrophobicContact CG1-CG 3.88Å; E422-R430 VanDerWaalsContact CA-NH2 3.34Å; E422-R430 PolarHBondContact O-NH2 3.44Å; E422-R430 IonicContact OE1-NH1 2.66Å; F425-R430 HydrophobicContact CB-CG 3.84Å; F425-R430 PolarHBondContact O-NE 3.29Å; F425-R430 PolarHBondContact O-NH2 3.49Å; S426-R430 WeakPolarHBondContact O-CG 3.37Å; S426-R430 PolarHBondContact O-N 3.05Å; L427-R430 PolarHBondContact O-N 2.94Å; R430-C433 PolarHBondContact O-N 2.99Å; R430-A434 WeakPolarHBondContact O-CB 3.49Å; R430-A434 PolarHBondContact O-N 2.83Å |
| 431 | R | 88.8 | Confident | 89 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 174.5 | 175.1 | 177.5 | 169.2 | 167.5 | 4 | 111.7 | L5 S6 L8 I13 L427 A428 T429 C433 A434 A435 Q487 E491 | L5-R431 HydrophobicContact CD2-CB 4.14Å; L5-R431 HydrophobicContact CD2-CG 4.42Å; S6-R431 WeakPolarHBondContact O-CD 3.47Å; S6-R431 PolarHBondContact O-NH1 3.39Å; L8-R431 HydrophobicContact CD1-CG 4.48Å; I13-R431 VanDerWaalsContact CD1-NH2 3.31Å; L427-R431 PolarHBondContact O-N 3.44Å; A428-R431 PolarHBondContact O-N 2.87Å; T429-R431 VanDerWaalsContact C-N 3.31Å; T429-R431 PolarHBondContact O-N 2.77Å; R431-C433 PolarHBondContact O-N 2.69Å; R431-A434 PolarHBondContact O-N 2.69Å; R431-A435 PolarHBondContact O-N 3.45Å; R431-Q487 PolarHBondContact NH2-O 3.46Å; R431-E491 IonicContact CZ-OE2 3.65Å; R431-E491 IonicContact NH1-OE2 2.77Å; R431-E491 PolarHBondContact NH1-OE2 3.26Å; R431-E491 IonicContact NH2-OE2 2.7Å; R431-E491 PolarHBondContact NH2-OE2 2.95Å |
| 432 | R | 91.6 | Very high | 89.5 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 33% | 0.328 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 177.6 | -68.9 | -177.9 | -172 | 124.5 | -1.9 | 111.6 | E12 A428 T429 A435 L436 Y483 | E12-R432 IonicContact OE1-CZ 3.98Å; E12-R432 IonicContact OE1-NE 3.83Å; E12-R432 PolarHBondContact OE1-NE 3.22Å; E12-R432 IonicContact OE1-NH2 2.86Å; E12-R432 PolarHBondContact OE1-NH2 3.24Å; E12-R432 IonicContact OE2-CZ 3.98Å; E12-R432 IonicContact OE2-NE 3.14Å; E12-R432 IonicContact OE2-NH2 3.06Å; E12-R432 PolarHBondContact OE2-NH2 2.92Å; A428-R432 WeakPolarHBondContact O-CG 3.48Å; A428-R432 PolarHBondContact O-N 2.98Å; T429-R432 PolarHBondContact O-N 3.44Å; T429-R432 VanDerWaalsContact O-N 3.16Å; R432-A435 PolarHBondContact O-N 3.26Å; R432-L436 PolarHBondContact O-N 3.05Å; R432-L436 VanDerWaalsContact O-N 3.16Å; R432-Y483 WeakPolarHBondContact CA-OH 3.41Å; R432-Y483 VanDerWaalsContact CB-OH 3.29Å; R432-Y483 WeakPolarHBondContact CB-OH 3.49Å; R432-Y483 WeakPolarHBondContact CG-OH 3.39Å; R432-Y483 VanDerWaalsContact O-CE2 3.29Å; R432-Y483 WeakPolarHBondContact O-CE2 3.39Å |
| 433 | C | 90.2 | Very high | 90.2 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 174 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | T429 R430 R431 A435 L436 L437 | T429-C433 PolarHBondContact O-N 3.06Å; T429-C433 PolarHBondContact O-SG 3.22Å; T429-C433 VanDerWaalsContact O-SG 3.34Å; R430-C433 PolarHBondContact O-N 2.99Å; R431-C433 PolarHBondContact O-N 2.69Å; C433-A435 VanDerWaalsContact C-N 3.35Å; C433-A435 PolarHBondContact O-N 3.13Å; C433-L436 WeakPolarHBondContact O-CB 3.35Å; C433-L436 PolarHBondContact O-N 2.85Å; C433-L437 PolarHBondContact O-N 3.16Å; C433-L437 VanDerWaalsContact O-N 3.15Å |
| 434 | A | 89.9 | Confident | 90.8 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R430 R431 L436 L437 C438 | R430-A434 WeakPolarHBondContact O-CB 3.49Å; R430-A434 PolarHBondContact O-N 2.83Å; R431-A434 PolarHBondContact O-N 2.69Å; A434-L436 VanDerWaalsContact C-N 3.27Å; A434-L436 PolarHBondContact O-N 3.33Å; A434-L437 PolarHBondContact O-N 3.04Å; A434-C438 VanDerWaalsContact O-CB 3.32Å; A434-C438 WeakPolarHBondContact O-CB 3.4Å; A434-C438 PolarHBondContact O-N 3Å; A434-C438 PolarHBondContact O-SG 3.05Å |
| 435 | A | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -35.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | R431 R432 C433 C438 A439 Y483 A486 Q487 L490 | R431-A435 PolarHBondContact O-N 3.45Å; R432-A435 PolarHBondContact O-N 3.26Å; C433-A435 VanDerWaalsContact C-N 3.35Å; C433-A435 PolarHBondContact O-N 3.13Å; A435-C438 CarbonylContact O-C 3.12Å; A435-C438 WeakPolarHBondContact O-CB 3.08Å; A435-C438 PolarHBondContact O-N 3.4Å; A435-A439 PolarHBondContact O-N 3.09Å; A435-Y483 HydrophobicContact CB-CD2 3.96Å; A435-Y483 HydrophobicContact CB-CE2 3.61Å; A435-A486 HydrophobicContact CB-CB 4.33Å; A435-A486 WeakPolarHBondContact O-CB 3.34Å; A435-Q487 VanDerWaalsContact CB-CD 3.46Å; A435-Q487 HydrophobicContact CB-CG 3.73Å; A435-L490 HydrophobicContact CB-CD1 3.84Å |
| 436 | L | 93.7 | Very high | 91.7 | Very high | 86 Ų | 86 | 41 Ų | 41 | 45% | 0.45 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.7 | -47.3 | 174.7 | -175.6 | 63.1 | 0 | 0 | 0 | 112.2 | R432 C433 A434 C438 A439 F440 Y483 | R432-L436 PolarHBondContact O-N 3.05Å; R432-L436 VanDerWaalsContact O-N 3.16Å; C433-L436 WeakPolarHBondContact O-CB 3.35Å; C433-L436 PolarHBondContact O-N 2.85Å; A434-L436 VanDerWaalsContact C-N 3.27Å; A434-L436 PolarHBondContact O-N 3.33Å; L436-C438 VanDerWaalsContact C-N 3.25Å; L436-C438 PolarHBondContact O-N 3.49Å; L436-A439 WeakPolarHBondContact O-CB 3.29Å; L436-A439 PolarHBondContact O-N 2.68Å; L436-A439 VanDerWaalsContact O-N 3.08Å; L436-F440 HydrophobicContact CD1-CE2 4.05Å; L436-F440 HydrophobicContact CG-CD2 4.49Å; L436-F440 HydrophobicContact CG-CE2 4.18Å; L436-F440 VanDerWaalsContact O-CD2 3.31Å; L436-F440 WeakPolarHBondContact O-CD2 3.44Å; L436-F440 PolarHBondContact O-N 3.31Å; L436-Y483 HydrophobicContact CB-CD2 4.09Å; L436-Y483 HydrophobicContact CB-CE2 4.13Å; L436-Y483 HydrophobicContact CD1-CD2 4.33Å |
| 437 | L | 92.9 | Very high | 92.2 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 39% | 0.387 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 174.7 | -64.4 | 175.3 | 0 | 0 | 0 | 111.5 | I408 F412 C433 A434 A439 F440 S441 | I408-L437 HydrophobicContact CG2-CD1 4.21Å; F412-L437 HydrophobicContact CE2-CD1 3.65Å; F412-L437 HydrophobicContact CZ-CD1 4.09Å; C433-L437 PolarHBondContact O-N 3.16Å; C433-L437 VanDerWaalsContact O-N 3.15Å; A434-L437 PolarHBondContact O-N 3.04Å; L437-A439 VanDerWaalsContact C-N 3.33Å; L437-A439 PolarHBondContact O-N 2.96Å; L437-F440 PolarHBondContact O-N 3.08Å; L437-S441 PolarHBondContact O-N 2.91Å |
| 438 | C | 93.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.122 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -34 | 174.3 | -78 | 0 | 0 | 0 | 0 | 113.1 | H335 A434 A435 L436 S441 T442 A486 | H335-C438 HydrophobicContact CB-CB 4.01Å; H335-C438 PolarHBondContact CD2-SG 3.31Å; H335-C438 PolarHBondContact O-SG 3.45Å; A434-C438 VanDerWaalsContact O-CB 3.32Å; A434-C438 WeakPolarHBondContact O-CB 3.4Å; A434-C438 PolarHBondContact O-N 3Å; A434-C438 PolarHBondContact O-SG 3.05Å; A435-C438 CarbonylContact O-C 3.12Å; A435-C438 WeakPolarHBondContact O-CB 3.08Å; A435-C438 PolarHBondContact O-N 3.4Å; L436-C438 VanDerWaalsContact C-N 3.25Å; L436-C438 PolarHBondContact O-N 3.49Å; C438-S441 PolarHBondContact O-N 3.17Å; C438-T442 WeakPolarHBondContact O-CB 3.26Å; C438-T442 PolarHBondContact O-N 3.14Å; C438-T442 PolarHBondContact O-OG1 3.03Å; C438-A486 HydrophobicContact CB-CB 3.6Å |
| 439 | A | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A435 L436 L437 T442 A443 L482 | A435-A439 PolarHBondContact O-N 3.09Å; L436-A439 WeakPolarHBondContact O-CB 3.29Å; L436-A439 PolarHBondContact O-N 2.68Å; L436-A439 VanDerWaalsContact O-N 3.08Å; L437-A439 VanDerWaalsContact C-N 3.33Å; L437-A439 PolarHBondContact O-N 2.96Å; A439-T442 PolarHBondContact O-N 3.47Å; A439-A443 PolarHBondContact O-N 3.45Å; A439-L482 HydrophobicContact CB-CB 4.04Å |
| 440 | F | 94.7 | Very high | 93.6 | Very high | 92 Ų | 92 | 31.6 Ų | 31.6 | 40% | 0.404 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 173.5 | -75.8 | -79.4 | 0 | 0 | 0 | 111.9 | L436 L437 T442 A443 M444 L479 | L436-F440 HydrophobicContact CD1-CE2 4.05Å; L436-F440 HydrophobicContact CG-CD2 4.49Å; L436-F440 HydrophobicContact CG-CE2 4.18Å; L436-F440 VanDerWaalsContact O-CD2 3.31Å; L436-F440 WeakPolarHBondContact O-CD2 3.44Å; L436-F440 PolarHBondContact O-N 3.31Å; L437-F440 PolarHBondContact O-N 3.08Å; F440-T442 VanDerWaalsContact C-N 3.28Å; F440-T442 PolarHBondContact O-N 3.27Å; F440-A443 PolarHBondContact O-N 3.15Å; F440-M444 WeakPolarHBondContact O-CG 3.39Å; F440-M444 PolarHBondContact O-N 3.08Å; F440-L479 HydrophobicContact CD1-CD1 4.14Å; F440-L479 HydrophobicContact CD1-CD2 3.82Å; F440-L479 HydrophobicContact CE1-CD1 3.46Å; F440-L479 VanDerWaalsContact CE1-CD1 3.46Å; F440-L479 HydrophobicContact CE1-CD2 4.01Å; F440-L479 HydrophobicContact CE1-CG 4.4Å; F440-L479 HydrophobicContact CG-CD2 4.14Å; F440-L479 HydrophobicContact CZ-CD1 3.7Å; F440-L479 HydrophobicContact CZ-CD2 4.46Å |
| 441 | S | 94.2 | Very high | 94.1 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 15% | 0.154 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | F337 L437 C438 M444 L445 | F337-S441 WeakPolarHBondContact CD2-OG 3.22Å; L437-S441 PolarHBondContact O-N 2.91Å; C438-S441 PolarHBondContact O-N 3.17Å; S441-M444 PolarHBondContact O-N 3.36Å; S441-L445 VanDerWaalsContact O-CB 3.26Å; S441-L445 WeakPolarHBondContact O-CB 3.36Å; S441-L445 PolarHBondContact O-N 3.02Å |
| 442 | T | 94.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 179.7 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | H335 C438 A439 F440 M444 L445 I446 L482 F485 | H335-T442 WeakPolarHBondContact CA-OG1 3.47Å; C438-T442 WeakPolarHBondContact O-CB 3.26Å; C438-T442 PolarHBondContact O-N 3.14Å; C438-T442 PolarHBondContact O-OG1 3.03Å; A439-T442 PolarHBondContact O-N 3.47Å; F440-T442 VanDerWaalsContact C-N 3.28Å; F440-T442 PolarHBondContact O-N 3.27Å; T442-M444 PolarHBondContact O-N 3.29Å; T442-L445 WeakPolarHBondContact O-CB 3.47Å; T442-L445 PolarHBondContact O-N 2.97Å; T442-I446 HydrophobicContact CG2-CD1 4.14Å; T442-I446 WeakPolarHBondContact O-CG1 3.49Å; T442-I446 PolarHBondContact O-N 2.86Å; T442-L482 HydrophobicContact CG2-CD2 3.93Å; T442-F485 HydrophobicContact CG2-CD2 4.02Å; T442-F485 HydrophobicContact CG2-CE2 3.63Å; T442-F485 HydrophobicContact CG2-CZ 4.33Å |
| 443 | A | 95.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A439 F440 L445 I446 L447 F467 M478 L479 L482 | A439-A443 PolarHBondContact O-N 3.45Å; F440-A443 PolarHBondContact O-N 3.15Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-I446 PolarHBondContact O-N 2.75Å; A443-L447 PolarHBondContact O-N 3.05Å; A443-F467 HydrophobicContact CB-CZ 4.16Å; A443-M478 HydrophobicContact CB-CE 4.11Å; A443-L479 HydrophobicContact CB-CD2 4.15Å; A443-L482 HydrophobicContact CB-CD1 3.61Å |
| 444 | M | 96.2 | Very high | 94.5 | Very high | 72 Ų | 72 | 26.1 Ų | 26.1 | 36% | 0.355 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -68.3 | -32.9 | 176.6 | -66.8 | -55 | -64.3 | 0 | 0 | 112.8 | F337 F440 S441 T442 L447 S448 W463 | F337-M444 HydrophobicContact CE2-CB 4.17Å; F337-M444 HydrophobicContact CZ-CB 4.03Å; F440-M444 WeakPolarHBondContact O-CG 3.39Å; F440-M444 PolarHBondContact O-N 3.08Å; S441-M444 PolarHBondContact O-N 3.36Å; T442-M444 PolarHBondContact O-N 3.29Å; M444-L447 HydrophobicContact CE-CD2 4Å; M444-L447 PolarHBondContact O-N 3.19Å; M444-L447 HydrophobicContact SD-CD2 4.29Å; M444-S448 WeakPolarHBondContact O-CB 3.29Å; M444-S448 PolarHBondContact O-N 2.98Å; M444-W463 HydrophobicContact CE-CZ3 4.29Å; M444-W463 HydrophobicContact SD-CZ3 4.24Å |
| 445 | L | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | 175.5 | -174.6 | 68.3 | 0 | 0 | 0 | 111.6 | F337 M340 S441 T442 A443 S448 N449 | F337-L445 HydrophobicContact CD1-CD1 3.56Å; F337-L445 HydrophobicContact CE1-CB 4.3Å; F337-L445 HydrophobicContact CE1-CD1 3.58Å; F337-L445 HydrophobicContact CE2-CB 4.36Å; F337-L445 HydrophobicContact CG-CD1 4.17Å; F337-L445 HydrophobicContact CZ-CB 4.08Å; F337-L445 HydrophobicContact CZ-CD1 4.21Å; M340-L445 HydrophobicContact CB-CD1 4.16Å; M340-L445 HydrophobicContact CB-CD2 3.91Å; M340-L445 HydrophobicContact CE-CD2 3.48Å; M340-L445 VanDerWaalsContact CE-CD2 3.48Å; M340-L445 HydrophobicContact CE-CG 4.26Å; M340-L445 HydrophobicContact CG-CD1 4.13Å; M340-L445 HydrophobicContact CG-CD2 4.11Å; S441-L445 VanDerWaalsContact O-CB 3.26Å; S441-L445 WeakPolarHBondContact O-CB 3.36Å; S441-L445 PolarHBondContact O-N 3.02Å; T442-L445 WeakPolarHBondContact O-CB 3.47Å; T442-L445 PolarHBondContact O-N 2.97Å; A443-L445 VanDerWaalsContact C-N 3.34Å; L445-S448 PolarHBondContact O-N 3.24Å; L445-N449 PolarHBondContact O-N 3.38Å |
| 446 | I | 95.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.4 | -53.2 | 172.4 | -69.9 | 167.3 | 0 | 0 | 0 | 108.8 | A295 L296 T442 A443 S448 N449 L450 L482 | A295-I446 HydrophobicContact CB-CG2 4.06Å; L296-I446 HydrophobicContact CD2-CD1 4.4Å; T442-I446 HydrophobicContact CG2-CD1 4.14Å; T442-I446 WeakPolarHBondContact O-CG1 3.49Å; T442-I446 PolarHBondContact O-N 2.86Å; A443-I446 PolarHBondContact O-N 2.75Å; I446-S448 VanDerWaalsContact C-N 3.27Å; I446-S448 PolarHBondContact O-N 2.98Å; I446-N449 PolarHBondContact O-N 2.67Å; I446-L450 HydrophobicContact CG2-CD1 3.93Å; I446-L450 HydrophobicContact CG2-CG 4.18Å; I446-L450 VanDerWaalsContact O-CG 3.26Å; I446-L450 WeakPolarHBondContact O-CG 3.24Å; I446-L450 PolarHBondContact O-N 3.42Å; I446-L482 HydrophobicContact CD1-CD2 3.9Å |
| 447 | L | 96.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.4 | -44.2 | 177.7 | 179.8 | 71 | 0 | 0 | 0 | 112.4 | M397 A443 M444 L450 V451 F462 W463 F467 | M397-L447 HydrophobicContact CE-CB 4.27Å; M397-L447 HydrophobicContact CE-CD2 3.72Å; M397-L447 HydrophobicContact CE-CG 3.76Å; A443-L447 PolarHBondContact O-N 3.05Å; M444-L447 HydrophobicContact CE-CD2 4Å; M444-L447 PolarHBondContact O-N 3.19Å; M444-L447 HydrophobicContact SD-CD2 4.29Å; L447-L450 WeakPolarHBondContact O-CB 3.45Å; L447-L450 PolarHBondContact O-N 3.3Å; L447-V451 PolarHBondContact O-N 3.22Å; L447-V451 VanDerWaalsContact O-N 3.14Å; L447-F462 HydrophobicContact CD1-CB 4.35Å; L447-F462 HydrophobicContact CD1-CD1 3.83Å; L447-W463 HydrophobicContact CD1-CB 4.33Å; L447-W463 HydrophobicContact CD2-CE3 3.53Å; L447-W463 HydrophobicContact CD2-CZ3 3.99Å; L447-F467 HydrophobicContact CD2-CE2 4.5Å |
| 448 | S | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | N398 M444 L445 I446 L450 V451 F452 | N398-S448 PolarHBondContact ND2-OG 2.97Å; M444-S448 WeakPolarHBondContact O-CB 3.29Å; M444-S448 PolarHBondContact O-N 2.98Å; L445-S448 PolarHBondContact O-N 3.24Å; I446-S448 VanDerWaalsContact C-N 3.27Å; I446-S448 PolarHBondContact O-N 2.98Å; S448-L450 VanDerWaalsContact C-N 3.26Å; S448-L450 PolarHBondContact O-N 2.88Å; S448-V451 WeakPolarHBondContact O-CB 3.27Å; S448-V451 PolarHBondContact O-N 3.48Å; S448-V451 VanDerWaalsContact O-N 3.17Å; S448-F452 PolarHBondContact O-N 3.05Å; S448-F452 VanDerWaalsContact O-N 3.16Å |
| 449 | N | 95.6 | Very high | 94.9 | Very high | 22 Ų | 22 | 22.3 Ų | 22.3 | 12% | 0.118 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -30.5 | 177.2 | -73.3 | -22.3 | 0 | 0 | 0 | 112.5 | V299 L445 I446 F452 L453 | V299-N449 HydrophobicContact CG2-CB 3.97Å; L445-N449 PolarHBondContact O-N 3.38Å; I446-N449 PolarHBondContact O-N 2.67Å; N449-F452 WeakPolarHBondContact O-CB 3.48Å; N449-F452 PolarHBondContact O-N 2.97Å; N449-L453 WeakPolarHBondContact O-CB 3.22Å; N449-L453 VanDerWaalsContact O-CG 3.24Å; N449-L453 WeakPolarHBondContact O-CG 3.35Å; N449-L453 PolarHBondContact O-N 3.2Å |
| 450 | L | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.5 | -37 | 173.6 | -67.8 | 176.2 | 0 | 0 | 0 | 112.7 | A295 L298 I446 L447 S448 F452 G454 M458 F462 | A295-L450 HydrophobicContact CB-CD1 3.82Å; A295-L450 HydrophobicContact CB-CD2 4.04Å; A295-L450 HydrophobicContact CB-CG 4.45Å; L298-L450 HydrophobicContact CB-CD2 4.41Å; L298-L450 HydrophobicContact CD1-CD2 3.92Å; I446-L450 HydrophobicContact CG2-CD1 3.93Å; I446-L450 HydrophobicContact CG2-CG 4.18Å; I446-L450 VanDerWaalsContact O-CG 3.26Å; I446-L450 WeakPolarHBondContact O-CG 3.24Å; I446-L450 PolarHBondContact O-N 3.42Å; L447-L450 WeakPolarHBondContact O-CB 3.45Å; L447-L450 PolarHBondContact O-N 3.3Å; S448-L450 VanDerWaalsContact C-N 3.26Å; S448-L450 PolarHBondContact O-N 2.88Å; L450-F452 VanDerWaalsContact C-N 3.29Å; L450-F452 PolarHBondContact O-N 3.41Å; L450-G454 WeakPolarHBondContact O-CA 3.26Å; L450-G454 PolarHBondContact O-N 3.09Å; L450-M458 HydrophobicContact CB-CE 4.3Å; L450-M458 HydrophobicContact CB-SD 3.56Å; L450-M458 VanDerWaalsContact CB-SD 3.56Å; L450-M458 HydrophobicContact CD1-CE 3.69Å; L450-M458 HydrophobicContact CD1-SD 3.76Å; L450-M458 HydrophobicContact CD2-CE 3.67Å; L450-M458 HydrophobicContact CD2-SD 4.08Å; L450-M458 HydrophobicContact CG-CE 4.04Å; L450-M458 HydrophobicContact CG-SD 3.96Å; L450-F462 HydrophobicContact CD1-CB 4.28Å; L450-F462 HydrophobicContact CD1-CD1 4.06Å; L450-F462 HydrophobicContact CD1-CD2 3.69Å; L450-F462 HydrophobicContact CD1-CE1 4.3Å; L450-F462 HydrophobicContact CD1-CE2 3.97Å; L450-F462 HydrophobicContact CD1-CG 3.73Å; L450-F462 HydrophobicContact CD1-CZ 4.25Å |
| 451 | V | 96.7 | Very high | 95.1 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 171.4 | 175 | 0 | 0 | 0 | 0 | 111.1 | Y390 W394 M397 L447 S448 G455 | Y390-V451 WeakPolarHBondContact O-CG1 3.43Å; W394-V451 HydrophobicContact CB-CG1 4.42Å; M397-V451 HydrophobicContact SD-CG2 4.1Å; L447-V451 PolarHBondContact O-N 3.22Å; L447-V451 VanDerWaalsContact O-N 3.14Å; S448-V451 WeakPolarHBondContact O-CB 3.27Å; S448-V451 PolarHBondContact O-N 3.48Å; S448-V451 VanDerWaalsContact O-N 3.17Å; V451-G455 CarbonylContact O-C 3.47Å; V451-G455 VanDerWaalsContact O-CA 3.24Å; V451-G455 WeakPolarHBondContact O-CA 3.04Å; V451-G455 PolarHBondContact O-N 2.87Å; V451-G455 VanDerWaalsContact O-N 3.09Å |
| 452 | F | 95.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 16% | 0.158 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.8 | -47.8 | 178 | 178.8 | -104.8 | 0 | 0 | 0 | 113.1 | F302 L391 W394 S448 N449 L450 | F302-F452 HydrophobicContact CE1-CE1 4.32Å; F302-F452 HydrophobicContact CE2-CE1 4.01Å; F302-F452 AromaticContact CZ-CE1 3.71Å; F302-F452 HydrophobicContact CZ-CE1 3.71Å; L391-F452 HydrophobicContact CD2-CD2 3.65Å; L391-F452 HydrophobicContact CD2-CE2 3.54Å; W394-F452 HydrophobicContact CB-CB 4.19Å; W394-F452 VanDerWaalsContact CD1-CB 3.45Å; W394-F452 HydrophobicContact CD2-CB 4.22Å; W394-F452 AromaticContact CD2-CD2 3.66Å; W394-F452 HydrophobicContact CD2-CD2 3.66Å; W394-F452 HydrophobicContact CD2-CE2 4.42Å; W394-F452 HydrophobicContact CD2-CG 4.2Å; W394-F452 AromaticContact CE2-CD2 3.78Å; W394-F452 AromaticContact CE3-CD2 3.95Å; W394-F452 HydrophobicContact CE3-CD2 3.95Å; W394-F452 HydrophobicContact CE3-CE2 4.38Å; W394-F452 HydrophobicContact CG-CB 3.7Å; W394-F452 AromaticContact CG-CD2 3.99Å; W394-F452 HydrophobicContact CG-CD2 3.99Å; W394-F452 HydrophobicContact CG-CG 4.21Å; W394-F452 HydrophobicContact CH2-CD2 4.37Å; W394-F452 HydrophobicContact CH2-CE2 4.24Å; W394-F452 HydrophobicContact CZ2-CD2 4.16Å; W394-F452 HydrophobicContact CZ2-CE2 4.32Å; W394-F452 HydrophobicContact CZ3-CD2 4.29Å; W394-F452 HydrophobicContact CZ3-CE2 4.29Å; W394-F452 AromaticContact NE1-CG 3.96Å; S448-F452 PolarHBondContact O-N 3.05Å; S448-F452 VanDerWaalsContact O-N 3.16Å; N449-F452 WeakPolarHBondContact O-CB 3.48Å; N449-F452 PolarHBondContact O-N 2.97Å; L450-F452 VanDerWaalsContact C-N 3.29Å; L450-F452 PolarHBondContact O-N 3.41Å |
| 453 | L | 93.4 | Very high | 95.3 | Very high | 41 Ų | 41 | 29.9 Ų | 29.9 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -81.1 | -39.7 | -173.4 | -64 | 173.1 | 0 | 0 | 0 | 112.6 | L298 V299 F302 N449 | L298-L453 HydrophobicContact CB-CD1 4.12Å; V299-L453 HydrophobicContact CG2-CD1 4.32Å; F302-L453 HydrophobicContact CB-CD1 4.04Å; F302-L453 HydrophobicContact CB-CD2 3.98Å; F302-L453 HydrophobicContact CD1-CD2 4.28Å; F302-L453 HydrophobicContact CD2-CD2 3.43Å; F302-L453 VanDerWaalsContact CD2-CD2 3.43Å; F302-L453 HydrophobicContact CE2-CD2 3.93Å; F302-L453 HydrophobicContact CG-CD1 4.41Å; F302-L453 HydrophobicContact CG-CD2 3.65Å; N449-L453 WeakPolarHBondContact O-CB 3.22Å; N449-L453 VanDerWaalsContact O-CG 3.24Å; N449-L453 WeakPolarHBondContact O-CG 3.35Å; N449-L453 PolarHBondContact O-N 3.2Å |
| 454 | G | 90.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -113.9 | 3.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H277 L450 H457 M458 | H277-G454 VanDerWaalsContact CD2-CA 3.44Å; H277-G454 WeakPolarHBondContact CD2-CA 3.4Å; L450-G454 WeakPolarHBondContact O-CA 3.26Å; L450-G454 PolarHBondContact O-N 3.09Å; G454-H457 PolarHBondContact O-CE1 2.85Å; G454-H457 PolarHBondContact O-ND1 3.08Å; G454-H457 PolarHBondContact O-NE2 3.41Å; G454-M458 WeakPolarHBondContact O-CB 3.39Å |
| 455 | G | 93.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | 83.1 | 176 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V451 H457 M458 G459 | V451-G455 CarbonylContact O-C 3.47Å; V451-G455 VanDerWaalsContact O-CA 3.24Å; V451-G455 WeakPolarHBondContact O-CA 3.04Å; V451-G455 PolarHBondContact O-N 2.87Å; V451-G455 VanDerWaalsContact O-N 3.09Å; G455-H457 VanDerWaalsContact C-N 3.3Å; G455-H457 PolarHBondContact O-N 3.07Å; G455-M458 PolarHBondContact O-N 3.25Å; G455-G459 PolarHBondContact O-N 2.85Å |
| 456 | T | 94.3 | Very high | 95.4 | Very high | 65 Ų | 65 | 33.3 Ų | 33.3 | 40% | 0.399 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.2 | -31.9 | -177 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | Y393 R460 | Y393-T456 HydrophobicContact CD2-CG2 3.56Å; Y393-T456 HydrophobicContact CE2-CG2 4.01Å; T456-R460 VanDerWaalsContact O-CB 3.28Å; T456-R460 WeakPolarHBondContact O-CB 2.9Å; T456-R460 PolarHBondContact O-N 3.11Å |
| 457 | H | 94.8 | Very high | 95.5 | Very high | 46 Ų | 46 | 33.5 Ų | 33.5 | 21% | 0.213 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 178.1 | 64.3 | -75.9 | 0 | 0 | 0 | 111.7 | H277 E280 G454 G455 R460 I461 | H277-H457 PolarHBondContact O-NE2 2.97Å; H277-H457 VanDerWaalsContact O-NE2 3.15Å; E280-H457 HydrophobicContact CG-CB 4.18Å; E280-H457 WeakPolarHBondContact OE1-CB 3.43Å; E280-H457 IonicContact OE1-CG 3.12Å; G454-H457 PolarHBondContact O-CE1 2.85Å; G454-H457 PolarHBondContact O-ND1 3.08Å; G454-H457 PolarHBondContact O-NE2 3.41Å; G455-H457 VanDerWaalsContact C-N 3.3Å; G455-H457 PolarHBondContact O-N 3.07Å; H457-R460 PolarHBondContact O-N 2.86Å; H457-I461 WeakPolarHBondContact O-CG1 3.4Å; H457-I461 PolarHBondContact O-N 3.14Å |
| 458 | M | 94.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -53.5 | 177.5 | -165.8 | -58.6 | 172.1 | 0 | 0 | 109.9 | H277 I283 L294 L298 L450 G454 G455 R460 I461 F462 | H277-M458 HydrophobicContact CB-CG 4.49Å; I283-M458 HydrophobicContact CD1-CG 4.34Å; L294-M458 HydrophobicContact CD2-CE 4.15Å; L298-M458 HydrophobicContact CD1-CE 4.39Å; L450-M458 HydrophobicContact CB-CE 4.3Å; L450-M458 HydrophobicContact CB-SD 3.56Å; L450-M458 VanDerWaalsContact CB-SD 3.56Å; L450-M458 HydrophobicContact CD1-CE 3.69Å; L450-M458 HydrophobicContact CD1-SD 3.76Å; L450-M458 HydrophobicContact CD2-CE 3.67Å; L450-M458 HydrophobicContact CD2-SD 4.08Å; L450-M458 HydrophobicContact CG-CE 4.04Å; L450-M458 HydrophobicContact CG-SD 3.96Å; G454-M458 WeakPolarHBondContact O-CB 3.39Å; G455-M458 PolarHBondContact O-N 3.25Å; M458-R460 VanDerWaalsContact C-N 3.3Å; M458-R460 PolarHBondContact O-N 2.95Å; M458-I461 PolarHBondContact O-N 3.14Å; M458-F462 HydrophobicContact CE-CB 4.47Å; M458-F462 HydrophobicContact CE-CD2 4.18Å; M458-F462 WeakPolarHBondContact O-CB 3.49Å; M458-F462 PolarHBondContact O-N 3.06Å; M458-F462 HydrophobicContact SD-CB 4.02Å |
| 459 | G | 95.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 43 Ų | 43 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G455 W463 | G455-G459 PolarHBondContact O-N 2.85Å; G459-W463 VanDerWaalsContact O-CB 3.26Å; G459-W463 WeakPolarHBondContact O-CB 3.43Å; G459-W463 PolarHBondContact O-N 3.25Å |
| 460 | R | 96.4 | Very high | 95.4 | Very high | 149 Ų | 149 | 42.1 Ų | 42.1 | 56% | 0.562 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.6 | -48 | 176.4 | 179.2 | -173.7 | 65.8 | 171.4 | -1.8 | 112 | E280 T456 H457 M458 W463 K464 | E280-R460 IonicContact OE1-NH2 3.74Å; E280-R460 PolarHBondContact OE1-NH2 3.31Å; E280-R460 IonicContact OE2-NH2 2.66Å; E280-R460 PolarHBondContact OE2-NH2 3.35Å; T456-R460 VanDerWaalsContact O-CB 3.28Å; T456-R460 WeakPolarHBondContact O-CB 2.9Å; T456-R460 PolarHBondContact O-N 3.11Å; H457-R460 PolarHBondContact O-N 2.86Å; M458-R460 VanDerWaalsContact C-N 3.3Å; M458-R460 PolarHBondContact O-N 2.95Å; R460-W463 PolarHBondContact O-N 2.92Å; R460-K464 WeakPolarHBondContact O-CB 3.32Å; R460-K464 PolarHBondContact O-N 2.91Å |
| 461 | I | 96.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -45.3 | -179.5 | -66.4 | 165.5 | 0 | 0 | 0 | 109.8 | E280 I283 E284 H457 M458 W463 K464 R465 | E280-I461 HydrophobicContact CB-CD1 3.83Å; E280-I461 HydrophobicContact CG-CD1 3.83Å; I283-I461 HydrophobicContact CB-CD1 4.38Å; I283-I461 HydrophobicContact CB-CG2 4.28Å; I283-I461 HydrophobicContact CD1-CD1 4.34Å; I283-I461 HydrophobicContact CG2-CB 4.18Å; I283-I461 HydrophobicContact CG2-CG2 3.59Å; E284-I461 HydrophobicContact CG-CD1 4.33Å; E284-I461 HydrophobicContact CG-CG2 4.14Å; H457-I461 WeakPolarHBondContact O-CG1 3.4Å; H457-I461 PolarHBondContact O-N 3.14Å; M458-I461 PolarHBondContact O-N 3.14Å; I461-W463 VanDerWaalsContact C-N 3.35Å; I461-W463 PolarHBondContact O-N 2.81Å; I461-K464 PolarHBondContact O-N 3.42Å; I461-R465 HydrophobicContact CG2-CG 4.18Å; I461-R465 WeakPolarHBondContact O-CB 3.39Å; I461-R465 VanDerWaalsContact O-CG 3.32Å; I461-R465 WeakPolarHBondContact O-CG 3.26Å; I461-R465 PolarHBondContact O-N 3.38Å |
| 462 | F | 96.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.022 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.8 | -168.3 | -85.7 | 0 | 0 | 0 | 111.5 | L291 A295 L447 L450 M458 K464 R465 V466 F467 M478 | L291-F462 HydrophobicContact CD1-CD2 4.06Å; L291-F462 HydrophobicContact CD2-CD2 4.29Å; L291-F462 HydrophobicContact CG-CD2 4.01Å; L291-F462 HydrophobicContact CG-CE2 4.11Å; A295-F462 HydrophobicContact CB-CD2 4.37Å; A295-F462 HydrophobicContact CB-CE2 3.65Å; A295-F462 HydrophobicContact CB-CZ 4.21Å; L447-F462 HydrophobicContact CD1-CB 4.35Å; L447-F462 HydrophobicContact CD1-CD1 3.83Å; L450-F462 HydrophobicContact CD1-CB 4.28Å; L450-F462 HydrophobicContact CD1-CD1 4.06Å; L450-F462 HydrophobicContact CD1-CD2 3.69Å; L450-F462 HydrophobicContact CD1-CE1 4.3Å; L450-F462 HydrophobicContact CD1-CE2 3.97Å; L450-F462 HydrophobicContact CD1-CG 3.73Å; L450-F462 HydrophobicContact CD1-CZ 4.25Å; M458-F462 HydrophobicContact CE-CB 4.47Å; M458-F462 HydrophobicContact CE-CD2 4.18Å; M458-F462 WeakPolarHBondContact O-CB 3.49Å; M458-F462 PolarHBondContact O-N 3.06Å; M458-F462 HydrophobicContact SD-CB 4.02Å; F462-K464 PolarHBondContact O-N 3.4Å; F462-R465 PolarHBondContact O-N 3.15Å; F462-V466 HydrophobicContact CD1-CB 4.38Å; F462-V466 HydrophobicContact CD1-CG2 4.02Å; F462-V466 HydrophobicContact CD2-CG2 4.28Å; F462-V466 HydrophobicContact CE1-CB 4.16Å; F462-V466 HydrophobicContact CE1-CG1 4.39Å; F462-V466 HydrophobicContact CE1-CG2 3.77Å; F462-V466 HydrophobicContact CE2-CG2 4.02Å; F462-V466 HydrophobicContact CG-CG2 4.29Å; F462-V466 HydrophobicContact CZ-CG2 3.77Å; F462-V466 WeakPolarHBondContact O-CB 3.4Å; F462-V466 WeakPolarHBondContact O-CG2 3.49Å; F462-V466 PolarHBondContact O-N 3.31Å; F462-F467 HydrophobicContact CD1-CE2 4.48Å; F462-F467 HydrophobicContact CE1-CE2 4.25Å; F462-M478 HydrophobicContact CZ-SD 4.38Å |
| 463 | W | 96.6 | Very high | 95.1 | Very high | 120 Ų | 120 | 56.2 Ų | 56.2 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.2 | -50.7 | 175.5 | 177.3 | -95.6 | 0 | 0 | 0 | 112.2 | M444 L447 G459 R460 I461 R465 F467 V468 | M444-W463 HydrophobicContact CE-CZ3 4.29Å; M444-W463 HydrophobicContact SD-CZ3 4.24Å; L447-W463 HydrophobicContact CD1-CB 4.33Å; L447-W463 HydrophobicContact CD2-CE3 3.53Å; L447-W463 HydrophobicContact CD2-CZ3 3.99Å; G459-W463 VanDerWaalsContact O-CB 3.26Å; G459-W463 WeakPolarHBondContact O-CB 3.43Å; G459-W463 PolarHBondContact O-N 3.25Å; R460-W463 PolarHBondContact O-N 2.92Å; I461-W463 VanDerWaalsContact C-N 3.35Å; I461-W463 PolarHBondContact O-N 2.81Å; W463-R465 PolarHBondContact O-N 3.48Å; W463-F467 HydrophobicContact CD2-CB 4.19Å; W463-F467 HydrophobicContact CD2-CD2 4.16Å; W463-F467 HydrophobicContact CE3-CB 4.09Å; W463-F467 AromaticContact CE3-CD2 3.44Å; W463-F467 HydrophobicContact CE3-CD2 3.44Å; W463-F467 VanDerWaalsContact CE3-CD2 3.44Å; W463-F467 HydrophobicContact CE3-CE2 4.13Å; W463-F467 HydrophobicContact CE3-CG 4Å; W463-F467 HydrophobicContact CH2-CB 4.47Å; W463-F467 HydrophobicContact CZ3-CB 4.24Å; W463-F467 AromaticContact CZ3-CD2 3.83Å; W463-F467 HydrophobicContact CZ3-CD2 3.83Å; W463-F467 HydrophobicContact CZ3-CE2 4.39Å; W463-F467 HydrophobicContact CZ3-CG 4.08Å; W463-F467 PolarHBondContact O-N 3.38Å; W463-V468 PolarHBondContact O-N 2.77Å |
| 464 | K | 97.2 | Very high | 95.2 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -58.3 | -48.2 | 178.9 | -177.4 | -173.9 | 177.6 | -170.3 | 0 | 111.3 | R460 I461 F462 V468 Q469 | R460-K464 WeakPolarHBondContact O-CB 3.32Å; R460-K464 PolarHBondContact O-N 2.91Å; I461-K464 PolarHBondContact O-N 3.42Å; F462-K464 PolarHBondContact O-N 3.4Å; K464-V468 WeakPolarHBondContact O-CB 3.38Å; K464-V468 PolarHBondContact O-N 2.76Å; K464-Q469 HydrophobicContact CG-CG 4.34Å; K464-Q469 WeakPolarHBondContact O-CB 3.4Å; K464-Q469 WeakPolarHBondContact O-CG 3.03Å; K464-Q469 PolarHBondContact O-N 3.36Å |
| 465 | R | 96.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 19% | 0.185 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -74.4 | -38.1 | -174.1 | -66.1 | -170.3 | 74.1 | -155.7 | -2.7 | 112.9 | I283 E284 L286 L291 I461 F462 W463 G470 | I283-R465 PolarHBondContact O-NH1 3.21Å; E284-R465 PolarHBondContact O-NH1 3.3Å; E284-R465 PolarHBondContact O-NH2 3.38Å; L286-R465 PolarHBondContact O-NH1 3.35Å; L286-R465 PolarHBondContact O-NH2 2.93Å; L291-R465 HydrophobicContact CD2-CB 3.99Å; I461-R465 HydrophobicContact CG2-CG 4.18Å; I461-R465 WeakPolarHBondContact O-CB 3.39Å; I461-R465 VanDerWaalsContact O-CG 3.32Å; I461-R465 WeakPolarHBondContact O-CG 3.26Å; I461-R465 PolarHBondContact O-N 3.38Å; F462-R465 PolarHBondContact O-N 3.15Å; W463-R465 PolarHBondContact O-N 3.48Å; R465-G470 VanDerWaalsContact O-CA 3.32Å; R465-G470 WeakPolarHBondContact O-CA 3.26Å; R465-G470 PolarHBondContact O-N 2.88Å |
| 466 | V | 96.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -89.4 | -50.8 | -175.1 | 178 | 0 | 0 | 0 | 0 | 112.3 | L291 F462 G470 W471 V474 A475 M478 | L291-V466 HydrophobicContact CD2-CG2 4.07Å; F462-V466 HydrophobicContact CD1-CB 4.38Å; F462-V466 HydrophobicContact CD1-CG2 4.02Å; F462-V466 HydrophobicContact CD2-CG2 4.28Å; F462-V466 HydrophobicContact CE1-CB 4.16Å; F462-V466 HydrophobicContact CE1-CG1 4.39Å; F462-V466 HydrophobicContact CE1-CG2 3.77Å; F462-V466 HydrophobicContact CE2-CG2 4.02Å; F462-V466 HydrophobicContact CG-CG2 4.29Å; F462-V466 HydrophobicContact CZ-CG2 3.77Å; F462-V466 WeakPolarHBondContact O-CB 3.4Å; F462-V466 WeakPolarHBondContact O-CG2 3.49Å; F462-V466 PolarHBondContact O-N 3.31Å; V466-G470 CarbonylContact O-C 3.09Å; V466-G470 WeakPolarHBondContact O-CA 3.44Å; V466-W471 PolarHBondContact O-N 3.15Å; V466-V474 HydrophobicContact CG1-CG1 4.34Å; V466-V474 HydrophobicContact CG2-CG1 4.24Å; V466-A475 HydrophobicContact CG1-CB 4.39Å; V466-M478 HydrophobicContact CG1-CE 3.56Å; V466-M478 HydrophobicContact CG1-SD 3.74Å |
| 467 | F | 95.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -98.7 | -17.5 | -169.3 | -62.2 | -71.5 | 0 | 0 | 0 | 114.2 | A443 L447 F462 W463 W471 A475 M478 | A443-F467 HydrophobicContact CB-CZ 4.16Å; L447-F467 HydrophobicContact CD2-CE2 4.5Å; F462-F467 HydrophobicContact CD1-CE2 4.48Å; F462-F467 HydrophobicContact CE1-CE2 4.25Å; W463-F467 HydrophobicContact CD2-CB 4.19Å; W463-F467 HydrophobicContact CD2-CD2 4.16Å; W463-F467 HydrophobicContact CE3-CB 4.09Å; W463-F467 AromaticContact CE3-CD2 3.44Å; W463-F467 HydrophobicContact CE3-CD2 3.44Å; W463-F467 VanDerWaalsContact CE3-CD2 3.44Å; W463-F467 HydrophobicContact CE3-CE2 4.13Å; W463-F467 HydrophobicContact CE3-CG 4Å; W463-F467 HydrophobicContact CH2-CB 4.47Å; W463-F467 HydrophobicContact CZ3-CB 4.24Å; W463-F467 AromaticContact CZ3-CD2 3.83Å; W463-F467 HydrophobicContact CZ3-CD2 3.83Å; W463-F467 HydrophobicContact CZ3-CE2 4.39Å; W463-F467 HydrophobicContact CZ3-CG 4.08Å; W463-F467 PolarHBondContact O-N 3.38Å; F467-W471 HydrophobicContact CD1-CE3 4.49Å; F467-W471 HydrophobicContact CD1-CZ3 4.32Å; F467-A475 HydrophobicContact CD1-CB 4.45Å; F467-M478 HydrophobicContact CE1-CE 3.83Å; F467-M478 HydrophobicContact CZ-CE 3.76Å |
| 468 | V | 96.5 | Very high | 95.5 | Very high | 91 Ų | 91 | 57.2 Ų | 57.2 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | I | π-helix | trans | -102.7 | -64.8 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | W463 K464 | W463-V468 PolarHBondContact O-N 2.77Å; K464-V468 WeakPolarHBondContact O-CB 3.38Å; K464-V468 PolarHBondContact O-N 2.76Å |
| 469 | Q | 95.8 | Very high | 95.6 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | I | π-helix | trans | -74.6 | -40.3 | -178 | -64.7 | 175.2 | -27.1 | 0 | 0 | 112 | K464 | K464-Q469 HydrophobicContact CG-CG 4.34Å; K464-Q469 WeakPolarHBondContact O-CB 3.4Å; K464-Q469 WeakPolarHBondContact O-CG 3.03Å; K464-Q469 PolarHBondContact O-N 3.36Å |
| 470 | G | 94.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 15.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R465 V466 S472 T473 V474 A475 | R465-G470 VanDerWaalsContact O-CA 3.32Å; R465-G470 WeakPolarHBondContact O-CA 3.26Å; R465-G470 PolarHBondContact O-N 2.88Å; V466-G470 CarbonylContact O-C 3.09Å; V466-G470 WeakPolarHBondContact O-CA 3.44Å; G470-S472 PolarHBondContact O-N 3.17Å; G470-S472 VanDerWaalsContact O-N 3.17Å; G470-T473 PolarHBondContact O-N 3.37Å; G470-T473 VanDerWaalsContact O-N 3.15Å; G470-V474 WeakPolarHBondContact O-CA 3.27Å; G470-V474 PolarHBondContact O-N 2.91Å; G470-A475 PolarHBondContact O-N 3.3Å |
| 471 | W | 94.4 | Very high | 95.5 | Very high | 152 Ų | 152 | 56.1 Ų | 56.1 | 58% | 0.576 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.8 | -173.7 | 178.3 | -108.3 | 0 | 0 | 0 | 113.7 | V466 F467 A475 P476 | V466-W471 PolarHBondContact O-N 3.15Å; F467-W471 HydrophobicContact CD1-CE3 4.49Å; F467-W471 HydrophobicContact CD1-CZ3 4.32Å; W471-A475 HydrophobicContact CE3-CB 4.18Å; W471-P476 WeakPolarHBondContact O-CD 3.46Å; W471-P476 WeakPolarHBondContact O-CG 3.31Å |
| 472 | S | 94.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 56.6 Ų | 56.6 | 67% | 0.671 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -18 | 178.8 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | G470 | G470-S472 PolarHBondContact O-N 3.17Å; G470-S472 VanDerWaalsContact O-N 3.17Å |
| 473 | T | 93.7 | Very high | 95.4 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -36.7 | -169.1 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | G470 P477 | G470-T473 PolarHBondContact O-N 3.37Å; G470-T473 VanDerWaalsContact O-N 3.15Å; T473-P477 WeakPolarHBondContact O-CD 3.43Å; T473-P477 VanDerWaalsContact O-CG 3.22Å; T473-P477 WeakPolarHBondContact O-CG 3.33Å |
| 474 | V | 94.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -45.2 | -175 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | P288 V466 G470 P477 M478 | P288-V474 HydrophobicContact CB-CG1 4.39Å; P288-V474 HydrophobicContact CB-CG2 4.12Å; P288-V474 HydrophobicContact CG-CG2 4.26Å; V466-V474 HydrophobicContact CG1-CG1 4.34Å; V466-V474 HydrophobicContact CG2-CG1 4.24Å; G470-V474 WeakPolarHBondContact O-CA 3.27Å; G470-V474 PolarHBondContact O-N 2.91Å; V474-P477 VanDerWaalsContact O-CD 3.29Å; V474-P477 WeakPolarHBondContact O-CD 3.37Å; V474-P477 WeakPolarHBondContact O-CG 3.42Å; V474-M478 VanDerWaalsContact O-CB 3.26Å; V474-M478 WeakPolarHBondContact O-CB 3.44Å; V474-M478 PolarHBondContact O-N 3.44Å; V474-M478 VanDerWaalsContact O-N 3.13Å |
| 475 | A | 95.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V466 F467 G470 W471 M478 L479 | V466-A475 HydrophobicContact CG1-CB 4.39Å; F467-A475 HydrophobicContact CD1-CB 4.45Å; G470-A475 PolarHBondContact O-N 3.3Å; W471-A475 HydrophobicContact CE3-CB 4.18Å; A475-M478 PolarHBondContact O-N 2.89Å; A475-L479 WeakPolarHBondContact O-CB 3.21Å; A475-L479 VanDerWaalsContact O-CG 3.27Å; A475-L479 WeakPolarHBondContact O-CG 3.46Å; A475-L479 PolarHBondContact O-N 3.34Å |
| 476 | P | 95.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 41% | 0.409 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -50.1 | -179.5 | -23.1 | 35.4 | 0 | 0 | 0 | 114.2 | W471 M478 L479 A480 | W471-P476 WeakPolarHBondContact O-CD 3.46Å; W471-P476 WeakPolarHBondContact O-CG 3.31Å; P476-M478 VanDerWaalsContact C-N 3.33Å; P476-M478 PolarHBondContact O-N 2.96Å; P476-L479 PolarHBondContact O-N 3.38Å; P476-A480 PolarHBondContact O-N 3.22Å |
| 477 | P | 94.3 | Very high | 94.8 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 176.5 | 23.9 | -31.7 | 0 | 0 | 0 | 111.8 | T473 V474 L479 A480 F481 | T473-P477 WeakPolarHBondContact O-CD 3.43Å; T473-P477 VanDerWaalsContact O-CG 3.22Å; T473-P477 WeakPolarHBondContact O-CG 3.33Å; V474-P477 VanDerWaalsContact O-CD 3.29Å; V474-P477 WeakPolarHBondContact O-CD 3.37Å; V474-P477 WeakPolarHBondContact O-CG 3.42Å; P477-L479 PolarHBondContact O-N 3.33Å; P477-A480 WeakPolarHBondContact O-CB 3.47Å; P477-A480 PolarHBondContact O-N 2.98Å; P477-F481 HydrophobicContact CB-CE2 4.48Å; P477-F481 WeakPolarHBondContact O-CD2 3.45Å; P477-F481 PolarHBondContact O-N 3.09Å |
| 478 | M | 95.2 | Very high | 94.5 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 20% | 0.197 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 173.8 | -179.7 | -170 | 68.8 | 0 | 0 | 111.3 | A443 F462 V466 F467 V474 A475 P476 A480 F481 L482 | A443-M478 HydrophobicContact CB-CE 4.11Å; F462-M478 HydrophobicContact CZ-SD 4.38Å; V466-M478 HydrophobicContact CG1-CE 3.56Å; V466-M478 HydrophobicContact CG1-SD 3.74Å; F467-M478 HydrophobicContact CE1-CE 3.83Å; F467-M478 HydrophobicContact CZ-CE 3.76Å; V474-M478 VanDerWaalsContact O-CB 3.26Å; V474-M478 WeakPolarHBondContact O-CB 3.44Å; V474-M478 PolarHBondContact O-N 3.44Å; V474-M478 VanDerWaalsContact O-N 3.13Å; A475-M478 PolarHBondContact O-N 2.89Å; P476-M478 VanDerWaalsContact C-N 3.33Å; P476-M478 PolarHBondContact O-N 2.96Å; M478-A480 VanDerWaalsContact C-N 3.29Å; M478-A480 PolarHBondContact O-N 3.03Å; M478-F481 PolarHBondContact O-N 3.44Å; M478-L482 HydrophobicContact CG-CD1 4Å; M478-L482 HydrophobicContact CG-CG 4.42Å; M478-L482 WeakPolarHBondContact O-CG 3.33Å; M478-L482 PolarHBondContact O-N 2.8Å; M478-L482 HydrophobicContact SD-CD1 4.49Å |
| 479 | L | 96.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -34.4 | 178.3 | -72.9 | 168.3 | 0 | 0 | 0 | 112.3 | F440 A443 A475 P476 P477 L482 Y483 | F440-L479 HydrophobicContact CD1-CD1 4.14Å; F440-L479 HydrophobicContact CD1-CD2 3.82Å; F440-L479 HydrophobicContact CE1-CD1 3.46Å; F440-L479 VanDerWaalsContact CE1-CD1 3.46Å; F440-L479 HydrophobicContact CE1-CD2 4.01Å; F440-L479 HydrophobicContact CE1-CG 4.4Å; F440-L479 HydrophobicContact CG-CD2 4.14Å; F440-L479 HydrophobicContact CZ-CD1 3.7Å; F440-L479 HydrophobicContact CZ-CD2 4.46Å; A443-L479 HydrophobicContact CB-CD2 4.15Å; A475-L479 WeakPolarHBondContact O-CB 3.21Å; A475-L479 VanDerWaalsContact O-CG 3.27Å; A475-L479 WeakPolarHBondContact O-CG 3.46Å; A475-L479 PolarHBondContact O-N 3.34Å; P476-L479 PolarHBondContact O-N 3.38Å; P477-L479 PolarHBondContact O-N 3.33Å; L479-L482 PolarHBondContact O-N 2.84Å; L479-Y483 VanDerWaalsContact O-CB 3.31Å; L479-Y483 WeakPolarHBondContact O-CB 3.44Å; L479-Y483 PolarHBondContact O-N 3.42Å |
| 480 | A | 95.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P476 P477 M478 Y483 C484 | P476-A480 PolarHBondContact O-N 3.22Å; P477-A480 WeakPolarHBondContact O-CB 3.47Å; P477-A480 PolarHBondContact O-N 2.98Å; M478-A480 VanDerWaalsContact C-N 3.29Å; M478-A480 PolarHBondContact O-N 3.03Å; A480-Y483 WeakPolarHBondContact O-CB 3.26Å; A480-Y483 PolarHBondContact O-N 3.43Å; A480-C484 PolarHBondContact O-N 3.17Å; A480-C484 PolarHBondContact O-SG 3.21Å |
| 481 | F | 94.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 37 Ų | 37 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71 | -40.3 | 173.8 | -68.3 | -63.3 | 0 | 0 | 0 | 112.2 | S23 W289 P477 M478 Y483 C484 F485 | S23-F481 VanDerWaalsContact CB-CD1 3.45Å; W289-F481 HydrophobicContact CH2-CD2 4.12Å; W289-F481 AromaticContact CH2-CE2 3.36Å; W289-F481 HydrophobicContact CH2-CE2 3.36Å; W289-F481 AromaticContact CH2-CZ 3.69Å; W289-F481 HydrophobicContact CH2-CZ 3.69Å; W289-F481 HydrophobicContact CZ2-CE2 4.05Å; W289-F481 HydrophobicContact CZ2-CZ 4.39Å; W289-F481 HydrophobicContact CZ3-CE2 4.21Å; P477-F481 HydrophobicContact CB-CE2 4.48Å; P477-F481 WeakPolarHBondContact O-CD2 3.45Å; P477-F481 PolarHBondContact O-N 3.09Å; M478-F481 PolarHBondContact O-N 3.44Å; F481-Y483 PolarHBondContact O-N 3.38Å; F481-C484 WeakPolarHBondContact O-CB 3.25Å; F481-C484 PolarHBondContact O-N 3.44Å; F481-C484 VanDerWaalsContact O-N 3.17Å; F481-F485 WeakPolarHBondContact O-CB 3.28Å; F481-F485 PolarHBondContact O-N 3.08Å |
| 482 | L | 94.9 | Very high | 92.7 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -25.3 | 174.4 | -66.7 | 178.1 | 0 | 0 | 0 | 112.6 | A439 T442 A443 I446 M478 L479 F485 A486 | A439-L482 HydrophobicContact CB-CB 4.04Å; T442-L482 HydrophobicContact CG2-CD2 3.93Å; A443-L482 HydrophobicContact CB-CD1 3.61Å; I446-L482 HydrophobicContact CD1-CD2 3.9Å; M478-L482 HydrophobicContact CG-CD1 4Å; M478-L482 HydrophobicContact CG-CG 4.42Å; M478-L482 WeakPolarHBondContact O-CG 3.33Å; M478-L482 PolarHBondContact O-N 2.8Å; M478-L482 HydrophobicContact SD-CD1 4.49Å; L479-L482 PolarHBondContact O-N 2.84Å; L482-F485 WeakPolarHBondContact O-CB 3.22Å; L482-A486 WeakPolarHBondContact O-CB 3.24Å; L482-A486 PolarHBondContact O-N 3.43Å |
| 483 | Y | 95.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -48.6 | 169.5 | 175.1 | -87.2 | 0 | 0 | 0 | 111.6 | Y16 R432 A435 L436 L479 A480 F481 F485 A486 Q487 | Y16-Y483 HydrophobicContact CE1-CD1 4.31Å; Y16-Y483 AromaticContact CE1-CE1 3.84Å; Y16-Y483 HydrophobicContact CE1-CE1 3.84Å; Y16-Y483 AromaticContact CZ-CE1 3.9Å; R432-Y483 WeakPolarHBondContact CA-OH 3.41Å; R432-Y483 VanDerWaalsContact CB-OH 3.29Å; R432-Y483 WeakPolarHBondContact CB-OH 3.49Å; R432-Y483 WeakPolarHBondContact CG-OH 3.39Å; R432-Y483 VanDerWaalsContact O-CE2 3.29Å; R432-Y483 WeakPolarHBondContact O-CE2 3.39Å; A435-Y483 HydrophobicContact CB-CD2 3.96Å; A435-Y483 HydrophobicContact CB-CE2 3.61Å; L436-Y483 HydrophobicContact CB-CD2 4.09Å; L436-Y483 HydrophobicContact CB-CE2 4.13Å; L436-Y483 HydrophobicContact CD1-CD2 4.33Å; L479-Y483 VanDerWaalsContact O-CB 3.31Å; L479-Y483 WeakPolarHBondContact O-CB 3.44Å; L479-Y483 PolarHBondContact O-N 3.42Å; A480-Y483 WeakPolarHBondContact O-CB 3.26Å; A480-Y483 PolarHBondContact O-N 3.43Å; F481-Y483 PolarHBondContact O-N 3.38Å; Y483-F485 PolarHBondContact O-N 3.06Å; Y483-A486 PolarHBondContact O-N 3.09Å; Y483-A486 VanDerWaalsContact O-N 3.16Å; Y483-Q487 HydrophobicContact CD1-CG 4.19Å; Y483-Q487 HydrophobicContact CE1-CG 3.75Å; Y483-Q487 WeakPolarHBondContact O-CG 3.43Å; Y483-Q487 PolarHBondContact O-N 3.27Å; Y483-Q487 PolarHBondContact OH-NE2 3.44Å |
| 484 | C | 94.6 | Very high | 90 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | Y16 L19 A480 F481 Q487 V488 | Y16-C484 HydrophobicContact CD1-CB 4.14Å; L19-C484 HydrophobicContact CB-CB 4.42Å; A480-C484 PolarHBondContact O-N 3.17Å; A480-C484 PolarHBondContact O-SG 3.21Å; F481-C484 WeakPolarHBondContact O-CB 3.25Å; F481-C484 PolarHBondContact O-N 3.44Å; F481-C484 VanDerWaalsContact O-N 3.17Å; C484-Q487 WeakPolarHBondContact O-CB 3.44Å; C484-Q487 PolarHBondContact O-N 3.46Å; C484-V488 WeakPolarHBondContact O-CG2 3.32Å; C484-V488 PolarHBondContact O-N 3.03Å |
| 485 | F | 91.8 | Very high | 87.2 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 173.3 | 178 | 97.1 | 0 | 0 | 0 | 113.2 | H24 V331 S332 M334 T442 F481 L482 Y483 Q487 V488 G489 | H24-F485 AromaticContact CE1-CD1 3.96Å; V331-F485 WeakPolarHBondContact O-CZ 3.36Å; S332-F485 WeakPolarHBondContact O-CD1 3.4Å; S332-F485 WeakPolarHBondContact O-CE1 3.29Å; S332-F485 WeakPolarHBondContact O-CZ 3.45Å; M334-F485 WeakPolarHBondContact O-CE2 3.31Å; T442-F485 HydrophobicContact CG2-CD2 4.02Å; T442-F485 HydrophobicContact CG2-CE2 3.63Å; T442-F485 HydrophobicContact CG2-CZ 4.33Å; F481-F485 WeakPolarHBondContact O-CB 3.28Å; F481-F485 PolarHBondContact O-N 3.08Å; L482-F485 WeakPolarHBondContact O-CB 3.22Å; Y483-F485 PolarHBondContact O-N 3.06Å; F485-Q487 VanDerWaalsContact C-N 3.28Å; F485-Q487 PolarHBondContact O-N 3.28Å; F485-V488 PolarHBondContact O-N 3.48Å; F485-G489 PolarHBondContact O-N 2.83Å |
| 486 | A | 92.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H335 A435 C438 L482 Y483 G489 L490 | H335-A486 HydrophobicContact CB-CB 4.25Å; A435-A486 HydrophobicContact CB-CB 4.33Å; A435-A486 WeakPolarHBondContact O-CB 3.34Å; C438-A486 HydrophobicContact CB-CB 3.6Å; L482-A486 WeakPolarHBondContact O-CB 3.24Å; L482-A486 PolarHBondContact O-N 3.43Å; Y483-A486 PolarHBondContact O-N 3.09Å; Y483-A486 VanDerWaalsContact O-N 3.16Å; A486-G489 PolarHBondContact O-N 2.76Å; A486-L490 WeakPolarHBondContact O-CB 3.45Å; A486-L490 VanDerWaalsContact O-CG 3.22Å; A486-L490 WeakPolarHBondContact O-CG 3.22Å; A486-L490 PolarHBondContact O-N 2.71Å |
| 487 | Q | 93.3 | Very high | 81 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176 | -73.2 | -71.7 | 14.3 | 0 | 0 | 112.7 | Y16 R431 A435 Y483 C484 F485 L490 E491 | Y16-Q487 HydrophobicContact CD2-CB 3.47Å; Y16-Q487 VanDerWaalsContact CD2-CB 3.47Å; Y16-Q487 HydrophobicContact CD2-CG 3.72Å; Y16-Q487 HydrophobicContact CE2-CB 3.9Å; Y16-Q487 HydrophobicContact CE2-CG 3.61Å; Y16-Q487 HydrophobicContact CG-CB 3.92Å; Y16-Q487 HydrophobicContact CG-CG 4.24Å; R431-Q487 PolarHBondContact NH2-O 3.46Å; A435-Q487 VanDerWaalsContact CB-CD 3.46Å; A435-Q487 HydrophobicContact CB-CG 3.73Å; Y483-Q487 HydrophobicContact CD1-CG 4.19Å; Y483-Q487 HydrophobicContact CE1-CG 3.75Å; Y483-Q487 WeakPolarHBondContact O-CG 3.43Å; Y483-Q487 PolarHBondContact O-N 3.27Å; Y483-Q487 PolarHBondContact OH-NE2 3.44Å; C484-Q487 WeakPolarHBondContact O-CB 3.44Å; C484-Q487 PolarHBondContact O-N 3.46Å; F485-Q487 VanDerWaalsContact C-N 3.28Å; F485-Q487 PolarHBondContact O-N 3.28Å; Q487-L490 PolarHBondContact O-N 3.32Å; Q487-E491 PolarHBondContact O-N 3.19Å |
| 488 | V | 90.9 | Very high | 80.3 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 174.6 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | W17 I333 C484 F485 L490 E491 R492 | W17-V488 HydrophobicContact CB-CG2 4.5Å; W17-V488 HydrophobicContact CD2-CG1 3.83Å; W17-V488 HydrophobicContact CD2-CG2 3.85Å; W17-V488 HydrophobicContact CE3-CG1 4.07Å; W17-V488 HydrophobicContact CE3-CG2 4.41Å; W17-V488 HydrophobicContact CG-CG2 3.86Å; W17-V488 HydrophobicContact CH2-CG1 3.55Å; W17-V488 HydrophobicContact CZ2-CG1 3.26Å; W17-V488 HydrophobicContact CZ3-CG1 3.95Å; I333-V488 HydrophobicContact CG2-CG1 4.33Å; C484-V488 WeakPolarHBondContact O-CG2 3.32Å; C484-V488 PolarHBondContact O-N 3.03Å; F485-V488 PolarHBondContact O-N 3.48Å; V488-L490 PolarHBondContact O-N 3.47Å; V488-E491 PolarHBondContact O-N 2.76Å; V488-R492 PolarHBondContact O-N 2.89Å |
| 489 | G | 88.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F485 A486 R492 T493 | F485-G489 PolarHBondContact O-N 2.83Å; A486-G489 PolarHBondContact O-N 2.76Å; G489-R492 PolarHBondContact O-N 3.46Å; G489-T493 WeakPolarHBondContact O-CG2 3.32Å; G489-T493 PolarHBondContact O-N 3.29Å; G489-T493 VanDerWaalsContact O-N 3.14Å; G489-T493 PolarHBondContact O-OG1 3.42Å |
| 490 | L | 89 | Confident | 78.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 178.3 | -72.2 | 167.8 | 0 | 0 | 0 | 112.8 | M1 L5 H335 A435 A486 Q487 V488 R492 T493 S494 | M1-L490 HydrophobicContact CE-CD2 3.65Å; L5-L490 HydrophobicContact CD1-CD2 3.9Å; H335-L490 WeakPolarHBondContact NE2-CD2 3.44Å; A435-L490 HydrophobicContact CB-CD1 3.84Å; A486-L490 WeakPolarHBondContact O-CB 3.45Å; A486-L490 VanDerWaalsContact O-CG 3.22Å; A486-L490 WeakPolarHBondContact O-CG 3.22Å; A486-L490 PolarHBondContact O-N 2.71Å; Q487-L490 PolarHBondContact O-N 3.32Å; V488-L490 PolarHBondContact O-N 3.47Å; L490-R492 VanDerWaalsContact C-N 3.32Å; L490-T493 WeakPolarHBondContact CA-OG1 3.44Å; L490-T493 PolarHBondContact O-N 3.44Å; L490-T493 PolarHBondContact O-OG1 2.73Å; L490-S494 WeakPolarHBondContact O-CB 3.37Å; L490-S494 PolarHBondContact O-N 3.05Å; L490-S494 VanDerWaalsContact O-N 3.08Å; L490-S494 PolarHBondContact O-OG 3.33Å |
| 491 | E | 86.5 | Confident | 77.6 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 173.8 | -169.9 | 62.1 | -148.7 | 0 | 0 | 110.8 | I13 R431 Q487 V488 T493 S494 S495 | I13-E491 HydrophobicContact CG2-CG 4.4Å; R431-E491 IonicContact CZ-OE2 3.65Å; R431-E491 IonicContact NH1-OE2 2.77Å; R431-E491 PolarHBondContact NH1-OE2 3.26Å; R431-E491 IonicContact NH2-OE2 2.7Å; R431-E491 PolarHBondContact NH2-OE2 2.95Å; Q487-E491 PolarHBondContact O-N 3.19Å; V488-E491 PolarHBondContact O-N 2.76Å; E491-T493 VanDerWaalsContact C-N 3.34Å; E491-T493 PolarHBondContact O-N 2.92Å; E491-S494 PolarHBondContact O-N 3.18Å; E491-S494 PolarHBondContact O-OG 3.41Å; E491-S494 VanDerWaalsContact O-OG 3.08Å; E491-S495 PolarHBondContact O-N 2.82Å; E491-S495 VanDerWaalsContact O-N 3.1Å; E491-S495 PolarHBondContact O-OG 3.42Å |
| 492 | R | 78.8 | Confident | 76.5 | Confident | 147 Ų | 147 | 48.7 Ų | 48.7 | 56% | 0.555 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -71.3 | -26.4 | -177.9 | -170.2 | 168.3 | -179.2 | 142.2 | 3.8 | 113.6 | V488 G489 L490 | V488-R492 PolarHBondContact O-N 2.89Å; G489-R492 PolarHBondContact O-N 3.46Å; L490-R492 VanDerWaalsContact C-N 3.32Å |
| 493 | T | 72.8 | Confident | 75.3 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -86.7 | -20.9 | 175.5 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | G489 L490 E491 | G489-T493 WeakPolarHBondContact O-CG2 3.32Å; G489-T493 PolarHBondContact O-N 3.29Å; G489-T493 VanDerWaalsContact O-N 3.14Å; G489-T493 PolarHBondContact O-OG1 3.42Å; L490-T493 WeakPolarHBondContact CA-OG1 3.44Å; L490-T493 PolarHBondContact O-N 3.44Å; L490-T493 PolarHBondContact O-OG1 2.73Å; E491-T493 VanDerWaalsContact C-N 3.34Å; E491-T493 PolarHBondContact O-N 2.92Å |
| 494 | S | 57.3 | Low | 73.8 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -89.9 | -22.4 | 178.4 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | L490 E491 P496 | L490-S494 WeakPolarHBondContact O-CB 3.37Å; L490-S494 PolarHBondContact O-N 3.05Å; L490-S494 VanDerWaalsContact O-N 3.08Å; L490-S494 PolarHBondContact O-OG 3.33Å; E491-S494 PolarHBondContact O-N 3.18Å; E491-S494 PolarHBondContact O-OG 3.41Å; E491-S494 VanDerWaalsContact O-OG 3.08Å; S494-P496 WeakPolarHBondContact O-CD 3.37Å |
| 495 | S | 35.9 | Very low | 72.2 | Confident | 55 Ų | 55 | 55 Ų | 55 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -77.3 | 120.3 | 172.2 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | E491 L497 | E491-S495 PolarHBondContact O-N 2.82Å; E491-S495 VanDerWaalsContact O-N 3.1Å; E491-S495 PolarHBondContact O-OG 3.42Å; S495-L497 PolarHBondContact O-N 2.95Å |
| 496 | P | 30.6 | Very low | 70.6 | Confident | 125 Ų | 125 | 58.8 Ų | 58.8 | 81% | 0.812 | 32% | 0.321 | S | S | * | . | trans | -65.6 | 119 | 161.2 | 28 | -28.2 | 0 | 0 | 0 | 106.9 | S494 | S494-P496 WeakPolarHBondContact O-CD 3.37Š| ||
| 497 | L | 30.5 | Very low | 68.6 | Low | 228 Ų | 228 | 64.2 Ų | 64.2 | 100% | 1.194 | 35% | 0.35 | S | S | * | . | trans | -62.8 | 0 | 167.7 | -86.4 | 163.9 | 0 | 0 | 0 | 110.2 | S495 | S495-L497 PolarHBondContact O-N 2.95Š|
Retrieved 497 of 497 residues in 273.9 ms
(Link to these results)