| 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 | 43.5 | Very low | 67.9 | Low | 225 Ų | 225 | 89.7 Ų | 89.7 | 100% | 1.108 | 52% | 0.521 | S | S | * | . | 0 | 106.2 | 0 | -86.7 | 173.2 | 148.6 | 0 | 0 | 106.8 | T3 | M1-T3 PolarHBondContact O-N 2.88Š| |||
| 2 | E | 42.6 | Very low | 69.4 | Low | 120 Ų | 120 | 84.1 Ų | 84.1 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | trans | -60.6 | 130.5 | -176.6 | -67.9 | 177.3 | 142.8 | 0 | 0 | 110.7 | V4 H301 | E2-V4 VanDerWaalsContact C-N 3.35Å; E2-V4 PolarHBondContact O-N 3.11Å; E2-H301 IonicContact OE1-CD2 3.61Å; E2-H301 IonicContact OE1-CE1 2.66Å; E2-H301 IonicContact OE1-NE2 2.75Å; E2-H301 PolarHBondContact OE1-NE2 3.47Å | ||
| 3 | T | 53.6 | Low | 70.5 | Confident | 138 Ų | 138 | 79 Ų | 79 | 85% | 0.847 | 46% | 0.464 | S | S | * | . | trans | -82.2 | 81.4 | -175.7 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | M1 | M1-T3 PolarHBondContact O-N 2.88Š| ||
| 4 | V | 64.5 | Low | 71.5 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 10% | 0.097 | 44% | 0.444 | C | S | . | . | trans | -57.3 | 135.9 | 163.6 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | E2 V8 D9 | E2-V4 VanDerWaalsContact C-N 3.35Å; E2-V4 PolarHBondContact O-N 3.11Å; V4-V8 HydrophobicContact CG1-CB 3.59Å; V4-V8 HydrophobicContact CG1-CG1 3.47Å; V4-V8 VanDerWaalsContact CG1-CG1 3.47Å; V4-D9 HydrophobicContact CG1-CB 4.24Å | ||
| 5 | S | 75.9 | Confident | 72.6 | Confident | 63 Ų | 63 | 73.2 Ų | 73.2 | 44% | 0.441 | 44% | 0.437 | S | S | . | . | trans | -53.5 | 137.8 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | A7 V8 D9 | S5-A7 PolarHBondContact O-N 3.24Å; S5-V8 PolarHBondContact O-N 3.17Å; S5-D9 PolarHBondContact O-N 3.29Å | ||
| 6 | P | 72.5 | Confident | 73.6 | Confident | 108 Ų | 108 | 68.6 Ų | 68.6 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -51.9 | -32.4 | -179.6 | -28.2 | 34.3 | 0 | 0 | 0 | 113.8 | L10 | P6-L10 WeakPolarHBondContact O-CB 3.22Å; P6-L10 PolarHBondContact O-N 3.11Å |
| 7 | A | 75.3 | Confident | 74.3 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S5 L10 V11 | S5-A7 PolarHBondContact O-N 3.24Å; A7-L10 PolarHBondContact O-N 3.39Å; A7-V11 WeakPolarHBondContact O-CG2 3.49Å; A7-V11 PolarHBondContact O-N 3.31Å; A7-V11 VanDerWaalsContact O-N 3.15Å |
| 8 | V | 80.6 | Confident | 75.1 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 178.6 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | V4 S5 L10 V11 L12 | V4-V8 HydrophobicContact CG1-CB 3.59Å; V4-V8 HydrophobicContact CG1-CG1 3.47Å; V4-V8 VanDerWaalsContact CG1-CG1 3.47Å; S5-V8 PolarHBondContact O-N 3.17Å; V8-L10 PolarHBondContact O-N 3.33Å; V8-L10 VanDerWaalsContact O-N 3.14Å; V8-V11 PolarHBondContact O-N 2.99Å; V8-V11 VanDerWaalsContact O-N 3.12Å; V8-L12 HydrophobicContact CG1-CD1 4.05Å; V8-L12 HydrophobicContact CG1-CG 4.33Å; V8-L12 VanDerWaalsContact O-CG 3.28Å; V8-L12 WeakPolarHBondContact O-CG 3.47Å; V8-L12 PolarHBondContact O-N 3.32Å |
| 9 | D | 79.1 | Confident | 76 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 18% | 0.176 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56 | -35.1 | 178.6 | -168.2 | 25.7 | 0 | 0 | 0 | 113 | V4 S5 L12 G13 W289 R293 | V4-D9 HydrophobicContact CG1-CB 4.24Å; S5-D9 PolarHBondContact O-N 3.29Å; D9-L12 PolarHBondContact O-N 3.25Å; D9-G13 PolarHBondContact O-N 3.11Å; D9-W289 VanDerWaalsContact OD1-CE2 3.31Å; D9-W289 WeakPolarHBondContact OD1-CZ2 3.32Å; D9-W289 PolarHBondContact OD1-NE1 3.33Å; D9-R293 IonicContact OD1-CZ 3.39Å; D9-R293 IonicContact OD1-NE 3.58Å; D9-R293 PolarHBondContact OD1-NE 2.87Å; D9-R293 IonicContact OD1-NH2 3.37Å; D9-R293 PolarHBondContact OD1-NH2 3.4Å; D9-R293 IonicContact OD2-CZ 3.47Å; D9-R293 IonicContact OD2-NE 2.73Å; D9-R293 IonicContact OD2-NH2 2.7Å; D9-R293 PolarHBondContact OD2-NH2 3.31Å |
| 10 | L | 75.7 | Confident | 76.6 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -74.9 | -39.7 | 179.8 | -174.5 | 150.2 | 0 | 0 | 0 | 112.9 | P6 A7 V8 L12 G13 A14 F88 | P6-L10 WeakPolarHBondContact O-CB 3.22Å; P6-L10 PolarHBondContact O-N 3.11Å; A7-L10 PolarHBondContact O-N 3.39Å; V8-L10 PolarHBondContact O-N 3.33Å; V8-L10 VanDerWaalsContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-G13 PolarHBondContact O-N 3.46Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.05Å; L10-F88 HydrophobicContact CD1-CB 3.78Å; L10-F88 HydrophobicContact CD1-CD1 3.79Å; L10-F88 HydrophobicContact CD1-CD2 3.76Å; L10-F88 HydrophobicContact CD1-CE1 4.28Å; L10-F88 HydrophobicContact CD1-CE2 4.22Å; L10-F88 HydrophobicContact CD1-CG 3.51Å; L10-F88 HydrophobicContact CD1-CZ 4.47Å; L10-F88 HydrophobicContact CD2-CB 4.26Å; L10-F88 HydrophobicContact CD2-CD2 3.25Å; L10-F88 HydrophobicContact CD2-CE2 3.64Å; L10-F88 HydrophobicContact CD2-CG 3.89Å; L10-F88 HydrophobicContact CG-CB 4.39Å; L10-F88 HydrophobicContact CG-CD1 4.18Å; L10-F88 HydrophobicContact CG-CD2 3.44Å; L10-F88 VanDerWaalsContact CG-CD2 3.44Å; L10-F88 HydrophobicContact CG-CE1 4.3Å; L10-F88 HydrophobicContact CG-CE2 3.55Å; L10-F88 HydrophobicContact CG-CG 3.77Å; L10-F88 HydrophobicContact CG-CZ 4Å |
| 11 | V | 83.3 | Confident | 77.2 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 53% | 0.533 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 170.4 | 172 | 0 | 0 | 0 | 0 | 110.4 | A7 V8 A14 S15 | A7-V11 WeakPolarHBondContact O-CG2 3.49Å; A7-V11 PolarHBondContact O-N 3.31Å; A7-V11 VanDerWaalsContact O-N 3.15Å; V8-V11 PolarHBondContact O-N 2.99Å; V8-V11 VanDerWaalsContact O-N 3.12Å; V11-A14 PolarHBondContact O-N 2.83Å; V11-S15 VanDerWaalsContact O-CB 3.31Å; V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.23Å; V11-S15 PolarHBondContact O-OG 3.01Å |
| 12 | L | 86.3 | Confident | 79.4 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174.8 | -60.9 | 171.6 | 0 | 0 | 0 | 111 | V8 D9 L10 S15 A16 L292 R293 A296 | V8-L12 HydrophobicContact CG1-CD1 4.05Å; V8-L12 HydrophobicContact CG1-CG 4.33Å; V8-L12 VanDerWaalsContact O-CG 3.28Å; V8-L12 WeakPolarHBondContact O-CG 3.47Å; V8-L12 PolarHBondContact O-N 3.32Å; D9-L12 PolarHBondContact O-N 3.25Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L12-S15 PolarHBondContact O-N 3.22Å; L12-A16 VanDerWaalsContact O-CB 3.28Å; L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 3.44Å; L12-L292 HydrophobicContact CB-CB 4.12Å; L12-L292 HydrophobicContact CD2-CB 3.78Å; L12-L292 HydrophobicContact CD2-CD2 4.46Å; L12-L292 HydrophobicContact CG-CB 4.35Å; L12-L292 WeakPolarHBondContact O-CD1 3.21Å; L12-R293 HydrophobicContact CD1-CG 3.97Å; L12-A296 HydrophobicContact CD1-CB 3.83Å |
| 13 | G | 83.5 | Confident | 81.6 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 19% | 0.186 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D9 L10 A16 C17 | D9-G13 PolarHBondContact O-N 3.11Å; L10-G13 PolarHBondContact O-N 3.46Å; G13-A16 PolarHBondContact O-N 3.27Å; G13-C17 PolarHBondContact O-N 3.4Å; G13-C17 PolarHBondContact O-SG 3.03Å |
| 14 | A | 84.2 | Confident | 83.3 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L10 V11 C17 C18 | L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.05Å; V11-A14 PolarHBondContact O-N 2.83Å; A14-C17 PolarHBondContact O-N 2.91Å; A14-C18 PolarHBondContact O-N 2.96Å; A14-C18 PolarHBondContact O-SG 3.46Å; A14-C18 VanDerWaalsContact O-SG 3.4Å |
| 15 | S | 87.8 | Confident | 84.5 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | V11 L12 C17 C18 L19 | V11-S15 VanDerWaalsContact O-CB 3.31Å; V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.23Å; V11-S15 PolarHBondContact O-OG 3.01Å; L12-S15 PolarHBondContact O-N 3.22Å; S15-C17 VanDerWaalsContact C-N 3.35Å; S15-C17 PolarHBondContact O-N 3.2Å; S15-C18 WeakPolarHBondContact O-CB 3.45Å; S15-C18 PolarHBondContact O-N 3.5Å; S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.43Å |
| 16 | A | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L12 G13 C18 L19 A20 S285 F288 W289 L292 | L12-A16 VanDerWaalsContact O-CB 3.28Å; L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 3.44Å; G13-A16 PolarHBondContact O-N 3.27Å; A16-C18 PolarHBondContact O-N 2.95Å; A16-L19 PolarHBondContact O-N 3.49Å; A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.37Å; A16-S285 WeakPolarHBondContact CB-O 3.37Å; A16-F288 HydrophobicContact CB-CB 3.73Å; A16-W289 HydrophobicContact CB-CB 3.84Å; A16-L292 HydrophobicContact CB-CD1 4.14Å |
| 17 | C | 86.4 | Confident | 85.9 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 17% | 0.169 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | G13 A14 S15 A20 C21 Q80 | G13-C17 PolarHBondContact O-N 3.4Å; G13-C17 PolarHBondContact O-SG 3.03Å; A14-C17 PolarHBondContact O-N 2.91Å; S15-C17 VanDerWaalsContact C-N 3.35Å; S15-C17 PolarHBondContact O-N 3.2Å; C17-A20 PolarHBondContact O-N 3.5Å; C17-C21 WeakPolarHBondContact O-CB 3.33Å; C17-C21 PolarHBondContact O-N 2.86Å; C17-Q80 HydrophobicContact CB-CG 3.95Å; C17-Q80 VanDerWaalsContact CB-NE2 3.31Å |
| 18 | C | 89.3 | Confident | 86.5 | Confident | 31 Ų | 31 | 36.4 Ų | 36.4 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 174.9 | -75.4 | 0 | 0 | 0 | 0 | 111.4 | A14 S15 A16 C21 V22 L77 | A14-C18 PolarHBondContact O-N 2.96Å; A14-C18 PolarHBondContact O-SG 3.46Å; A14-C18 VanDerWaalsContact O-SG 3.4Å; S15-C18 WeakPolarHBondContact O-CB 3.45Å; S15-C18 PolarHBondContact O-N 3.5Å; A16-C18 PolarHBondContact O-N 2.95Å; C18-C21 VanDerWaalsContact O-CB 3.25Å; C18-C21 WeakPolarHBondContact O-CB 3.32Å; C18-C21 PolarHBondContact O-N 3.37Å; C18-V22 PolarHBondContact O-N 2.95Å; C18-L77 HydrophobicContact CB-CD2 3.8Å; C18-L77 WeakPolarHBondContact O-CD2 3.41Å |
| 19 | L | 90.5 | Very high | 86.9 | Confident | 74 Ų | 74 | 33.2 Ų | 33.2 | 39% | 0.387 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 174.5 | -74.3 | 165 | 0 | 0 | 0 | 111.5 | S15 A16 C21 V22 F23 F288 L292 | S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.43Å; A16-L19 PolarHBondContact O-N 3.49Å; L19-C21 PolarHBondContact O-N 3.42Å; L19-V22 WeakPolarHBondContact O-CB 3.49Å; L19-V22 PolarHBondContact O-N 2.88Å; L19-V22 VanDerWaalsContact O-N 3.1Å; L19-F23 WeakPolarHBondContact O-CD2 3.12Å; L19-F288 HydrophobicContact CB-CD2 3.54Å; L19-F288 HydrophobicContact CB-CE2 3.76Å; L19-F288 HydrophobicContact CB-CG 4.01Å; L19-F288 HydrophobicContact CB-CZ 4.39Å; L19-F288 HydrophobicContact CD1-CB 4.34Å; L19-F288 HydrophobicContact CD1-CD1 4.37Å; L19-F288 HydrophobicContact CD1-CG 4.2Å; L19-L292 HydrophobicContact CD1-CD1 4.33Å |
| 20 | A | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -32.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A16 C17 V22 F23 T24 L284 S285 F288 | A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.37Å; C17-A20 PolarHBondContact O-N 3.5Å; A20-V22 VanDerWaalsContact C-N 3.29Å; A20-V22 PolarHBondContact O-N 3.23Å; A20-F23 PolarHBondContact O-N 2.93Å; A20-T24 WeakPolarHBondContact O-CG2 3.22Å; A20-T24 PolarHBondContact O-N 2.89Å; A20-T24 VanDerWaalsContact O-N 3.09Å; A20-T24 PolarHBondContact O-OG1 2.94Å; A20-L284 HydrophobicContact CB-CB 3.83Å; A20-S285 WeakPolarHBondContact CB-OG 3.16Å; A20-F288 HydrophobicContact CB-CD2 4.35Å |
| 21 | C | 88 | Confident | 88 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -35.5 | 175.2 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | C17 C18 L19 F23 T24 N25 L77 | C17-C21 WeakPolarHBondContact O-CB 3.33Å; C17-C21 PolarHBondContact O-N 2.86Å; C18-C21 VanDerWaalsContact O-CB 3.25Å; C18-C21 WeakPolarHBondContact O-CB 3.32Å; C18-C21 PolarHBondContact O-N 3.37Å; L19-C21 PolarHBondContact O-N 3.42Å; C21-F23 VanDerWaalsContact C-N 3.3Å; C21-F23 PolarHBondContact O-N 3.43Å; C21-T24 WeakPolarHBondContact CA-OG1 3.44Å; C21-T24 PolarHBondContact O-N 3.33Å; C21-N25 WeakPolarHBondContact O-CB 3.45Å; C21-N25 PolarHBondContact O-N 3.47Å; C21-L77 HydrophobicContact CB-CD2 4.13Å |
| 22 | V | 90.6 | Very high | 88.2 | Confident | 56 Ų | 56 | 25.1 Ų | 25.1 | 34% | 0.339 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | C18 L19 A20 Q70 L73 | C18-V22 PolarHBondContact O-N 2.95Å; L19-V22 WeakPolarHBondContact O-CB 3.49Å; L19-V22 PolarHBondContact O-N 2.88Å; L19-V22 VanDerWaalsContact O-N 3.1Å; A20-V22 VanDerWaalsContact C-N 3.29Å; A20-V22 PolarHBondContact O-N 3.23Å; V22-Q70 PolarHBondContact O-NE2 3.15Å; V22-L73 HydrophobicContact CG2-CD1 4.3Å; V22-L73 HydrophobicContact CG2-CD2 4.47Å |
| 23 | F | 89.7 | Confident | 88.3 | Confident | 126 Ų | 126 | 24.1 Ų | 24.1 | 55% | 0.553 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -77.5 | -25.5 | -179.6 | -66.2 | -81.7 | 0 | 0 | 0 | 113.7 | L19 A20 C21 L284 F288 | L19-F23 WeakPolarHBondContact O-CD2 3.12Å; A20-F23 PolarHBondContact O-N 2.93Å; C21-F23 VanDerWaalsContact C-N 3.3Å; C21-F23 PolarHBondContact O-N 3.43Å; F23-L284 HydrophobicContact CB-CD1 3.61Å; F23-L284 HydrophobicContact CD2-CD1 4.32Å; F23-L284 HydrophobicContact CG-CD1 4.09Å; F23-F288 HydrophobicContact CD2-CE2 4.07Å; F23-F288 HydrophobicContact CD2-CZ 4.12Å; F23-F288 HydrophobicContact CE2-CE2 4.04Å; F23-F288 AromaticContact CE2-CZ 3.65Å; F23-F288 HydrophobicContact CE2-CZ 3.65Å |
| 24 | T | 88.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -98.6 | -11.5 | -175.2 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | A20 C21 P26 L27 E28 P280 H281 | A20-T24 WeakPolarHBondContact O-CG2 3.22Å; A20-T24 PolarHBondContact O-N 2.89Å; A20-T24 VanDerWaalsContact O-N 3.09Å; A20-T24 PolarHBondContact O-OG1 2.94Å; C21-T24 WeakPolarHBondContact CA-OG1 3.44Å; C21-T24 PolarHBondContact O-N 3.33Å; T24-P26 VanDerWaalsContact C-CD 3.45Å; T24-L27 WeakPolarHBondContact O-CB 3.13Å; T24-L27 PolarHBondContact O-N 3.28Å; T24-L27 VanDerWaalsContact O-N 3.08Å; T24-E28 PolarHBondContact O-N 3.07Å; T24-P280 HydrophobicContact CG2-CB 4.32Å; T24-H281 HydrophobicContact CG2-CB 3.82Å; T24-H281 PolarHBondContact OG1-ND1 2.94Å |
| 25 | N | 90.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.5 | -38.9 | 176.4 | -168.8 | 82.3 | 0 | 0 | 0 | 114.1 | C21 L27 E28 V29 L69 Q70 K71 L73 Q132 | C21-N25 WeakPolarHBondContact O-CB 3.45Å; C21-N25 PolarHBondContact O-N 3.47Å; N25-L27 PolarHBondContact O-N 3.45Å; N25-E28 WeakPolarHBondContact O-CA 3.45Å; N25-E28 WeakPolarHBondContact O-CB 3.41Å; N25-E28 PolarHBondContact O-N 3.37Å; N25-V29 PolarHBondContact O-N 3.15Å; N25-L69 PolarHBondContact ND2-O 2.87Å; N25-L69 VanDerWaalsContact ND2-O 3.16Å; N25-Q70 VanDerWaalsContact ND2-C 3.25Å; N25-Q70 VanDerWaalsContact ND2-CA 3.31Å; N25-Q70 WeakPolarHBondContact ND2-CA 3.25Å; N25-Q70 PolarHBondContact ND2-O 3.49Å; N25-K71 PolarHBondContact ND2-O 3.35Å; N25-L73 HydrophobicContact CB-CD1 4.07Å; N25-Q132 PolarHBondContact OD1-NE2 3.45Å |
| 26 | P | 88.8 | Confident | 88.4 | Confident | 29 Ų | 29 | 21 Ų | 21 | 19% | 0.188 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54 | -39.5 | 173.4 | -30.7 | 39.5 | 0 | 0 | 0 | 113.7 | T24 E28 V29 V30 L69 | T24-P26 VanDerWaalsContact C-CD 3.45Å; P26-E28 VanDerWaalsContact C-N 3.32Å; P26-V29 PolarHBondContact O-N 2.95Å; P26-V30 PolarHBondContact O-N 3.24Å; P26-L69 VanDerWaalsContact CA-O 3.25Å; P26-L69 WeakPolarHBondContact CA-O 3.34Å; P26-L69 HydrophobicContact CB-CB 3.96Å; P26-L69 HydrophobicContact CB-CD2 4.32Å; P26-L69 HydrophobicContact CG-CB 4.22Å |
| 27 | L | 89.1 | Confident | 88.2 | Confident | 34 Ų | 34 | 21.6 Ų | 21.6 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.4 | -31.5 | 180 | -42.7 | 178.3 | 0 | 0 | 0 | 110.8 | T24 N25 K31 F53 R277 | T24-L27 WeakPolarHBondContact O-CB 3.13Å; T24-L27 PolarHBondContact O-N 3.28Å; T24-L27 VanDerWaalsContact O-N 3.08Å; N25-L27 PolarHBondContact O-N 3.45Å; L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 PolarHBondContact O-N 3.3Å; L27-F53 HydrophobicContact CB-CZ 4.36Å; L27-F53 HydrophobicContact CD2-CE1 4.43Å; L27-F53 HydrophobicContact CD2-CE2 4.31Å; L27-F53 HydrophobicContact CD2-CZ 3.53Å; L27-F53 HydrophobicContact CG-CZ 4.39Å; L27-R277 HydrophobicContact CB-CB 4.06Å; L27-R277 HydrophobicContact CB-CG 4.21Å; L27-R277 HydrophobicContact CD1-CB 4.2Å; L27-R277 HydrophobicContact CD1-CG 4.45Å |
| 28 | E | 87.3 | Confident | 87.6 | Confident | 19 Ų | 19 | 20.8 Ų | 20.8 | 9% | 0.089 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.7 | -42.7 | 174.3 | -66.6 | -172.1 | 154.3 | 0 | 0 | 112.7 | T24 N25 P26 V30 K31 T32 K128 R277 | T24-E28 PolarHBondContact O-N 3.07Å; N25-E28 WeakPolarHBondContact O-CA 3.45Å; N25-E28 WeakPolarHBondContact O-CB 3.41Å; N25-E28 PolarHBondContact O-N 3.37Å; P26-E28 VanDerWaalsContact C-N 3.32Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 3.39Å; E28-K31 WeakPolarHBondContact O-CB 3.25Å; E28-K31 PolarHBondContact O-N 3.42Å; E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 PolarHBondContact O-N 3.25Å; E28-T32 PolarHBondContact O-OG1 3.4Å; E28-T32 VanDerWaalsContact O-OG1 3.05Å; E28-K128 IonicContact OE1-NZ 2.77Å; E28-K128 WeakPolarHBondContact OE2-CE 3.28Å; E28-K128 IonicContact OE2-NZ 3.79Å; E28-K128 PolarHBondContact OE2-NZ 3.18Å; E28-R277 HydrophobicContact CG-CG 4.28Å; E28-R277 IonicContact OE1-CZ 3.57Å; E28-R277 IonicContact OE1-NE 3.41Å; E28-R277 IonicContact OE1-NH1 2.67Å; E28-R277 PolarHBondContact OE1-NH1 3.47Å |
| 29 | V | 88 | Confident | 87.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | N25 P26 K31 T32 R33 L69 K71 Q132 | N25-V29 PolarHBondContact O-N 3.15Å; P26-V29 PolarHBondContact O-N 2.95Å; V29-K31 PolarHBondContact O-N 2.84Å; V29-T32 PolarHBondContact O-N 3.01Å; V29-R33 WeakPolarHBondContact O-CG 3.29Å; V29-R33 PolarHBondContact O-N 2.98Å; V29-R33 VanDerWaalsContact O-N 3.07Å; V29-L69 WeakPolarHBondContact CG2-O 3.36Å; V29-K71 HydrophobicContact CG2-CB 4.48Å; V29-Q132 HydrophobicContact CG2-CB 4.41Å; V29-Q132 HydrophobicContact CG2-CG 3.95Å |
| 30 | V | 88.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | P26 E28 L34 F53 V57 V60 L69 | P26-V30 PolarHBondContact O-N 3.24Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 3.39Å; V30-L34 HydrophobicContact CG1-CD1 3.8Å; V30-L34 HydrophobicContact CG1-CG 4.47Å; V30-L34 WeakPolarHBondContact O-CB 3.34Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 3.49Å; V30-F53 HydrophobicContact CB-CE2 4.4Å; V30-F53 HydrophobicContact CG1-CD2 3.82Å; V30-F53 HydrophobicContact CG1-CE2 4.04Å; V30-V57 HydrophobicContact CG1-CG2 4.43Å; V30-V57 HydrophobicContact CG2-CB 4.46Å; V30-V57 HydrophobicContact CG2-CG2 3.86Å; V30-V60 HydrophobicContact CG2-CG2 4.29Å; V30-L69 HydrophobicContact CG2-CD2 4.26Å |
| 31 | K | 89.8 | Confident | 85.7 | Confident | 11 Ų | 11 | 23.7 Ų | 23.7 | 5% | 0.048 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.9 | -53 | 174.2 | -177.5 | -175.8 | 170.9 | 177.8 | 0 | 111.1 | L27 E28 V29 R33 L34 Q35 D228 P273 A274 | L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 PolarHBondContact O-N 3.3Å; E28-K31 WeakPolarHBondContact O-CB 3.25Å; E28-K31 PolarHBondContact O-N 3.42Å; V29-K31 PolarHBondContact O-N 2.84Å; K31-R33 VanDerWaalsContact C-N 3.33Å; K31-R33 PolarHBondContact O-N 2.98Å; K31-L34 PolarHBondContact O-N 3.44Å; K31-Q35 VanDerWaalsContact CE-NE2 3.25Å; K31-Q35 HydrophobicContact CG-CG 4.37Å; K31-Q35 VanDerWaalsContact O-CG 3.3Å; K31-Q35 WeakPolarHBondContact O-CG 2.97Å; K31-Q35 PolarHBondContact O-N 2.86Å; K31-D228 IonicContact NZ-OD2 3.67Å; K31-D228 PolarHBondContact NZ-OD2 3.4Å; K31-P273 HydrophobicContact CB-CB 4.01Å; K31-P273 HydrophobicContact CB-CG 4.29Å; K31-P273 HydrophobicContact CG-CB 4.48Å; K31-P273 HydrophobicContact CG-CG 4.42Å; K31-A274 HydrophobicContact CD-CB 4.2Å |
| 32 | T | 87.8 | Confident | 84.8 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | -177 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | E28 V29 Q35 L36 Q132 T232 | E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 PolarHBondContact O-N 3.25Å; E28-T32 PolarHBondContact O-OG1 3.4Å; E28-T32 VanDerWaalsContact O-OG1 3.05Å; V29-T32 PolarHBondContact O-N 3.01Å; T32-Q35 PolarHBondContact O-N 2.68Å; T32-L36 HydrophobicContact CG2-CD1 4.06Å; T32-L36 WeakPolarHBondContact O-CG 3.36Å; T32-L36 PolarHBondContact O-N 3.03Å; T32-L36 VanDerWaalsContact O-N 3.12Å; T32-Q132 HydrophobicContact CG2-CB 3.97Å; T32-Q132 PolarHBondContact OG1-OE1 3.35Å; T32-Q132 VanDerWaalsContact OG1-OE1 3.04Å; T32-T232 HydrophobicContact CG2-CG2 3.91Å |
| 33 | R | 88.9 | Confident | 83.7 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.7 | -40.4 | 178.2 | -66.2 | -179.8 | -172.6 | -167 | 7.4 | 113.2 | V29 K31 Q35 L36 Q37 Y50 D64 Q132 Q134 T135 | V29-R33 WeakPolarHBondContact O-CG 3.29Å; V29-R33 PolarHBondContact O-N 2.98Å; V29-R33 VanDerWaalsContact O-N 3.07Å; K31-R33 VanDerWaalsContact C-N 3.33Å; K31-R33 PolarHBondContact O-N 2.98Å; R33-Q35 VanDerWaalsContact C-N 3.32Å; R33-Q35 PolarHBondContact O-N 2.94Å; R33-L36 PolarHBondContact O-N 3.39Å; R33-Q37 PolarHBondContact O-N 2.85Å; R33-Q37 VanDerWaalsContact O-N 3.15Å; R33-Y50 HydrophobicContact CB-CD2 4.25Å; R33-Y50 HydrophobicContact CB-CE2 3.92Å; R33-Y50 WeakPolarHBondContact CD-OH 3.36Å; R33-Y50 PolarHBondContact NH1-OH 3.39Å; R33-D64 IonicContact CZ-OD2 3.16Å; R33-D64 IonicContact NH1-OD2 2.74Å; R33-D64 PolarHBondContact NH1-OD2 2.91Å; R33-D64 IonicContact NH2-OD2 2.69Å; R33-D64 PolarHBondContact NH2-OD2 3.02Å; R33-Q132 PolarHBondContact NE-O 2.91Å; R33-Q132 VanDerWaalsContact NE-O 3.09Å; R33-Q134 PolarHBondContact NH2-O 2.96Å; R33-T135 PolarHBondContact NH1-OG1 3.42Å |
| 34 | L | 86.7 | Confident | 82.7 | Confident | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 175.1 | -80.2 | 168.4 | 0 | 0 | 0 | 112.7 | V30 K31 Q37 P273 | V30-L34 HydrophobicContact CG1-CD1 3.8Å; V30-L34 HydrophobicContact CG1-CG 4.47Å; V30-L34 WeakPolarHBondContact O-CB 3.34Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 3.49Å; K31-L34 PolarHBondContact O-N 3.44Å; L34-Q37 PolarHBondContact O-N 3.46Å; L34-P273 HydrophobicContact CD1-CG 3.97Å |
| 35 | Q | 86 | Confident | 81.9 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.8 | -32.3 | 179.1 | -71.8 | -173.7 | -30.5 | 0 | 0 | 113.1 | K31 T32 R33 Q37 V229 T232 R233 K269 | K31-Q35 VanDerWaalsContact CE-NE2 3.25Å; K31-Q35 HydrophobicContact CG-CG 4.37Å; K31-Q35 VanDerWaalsContact O-CG 3.3Å; K31-Q35 WeakPolarHBondContact O-CG 2.97Å; K31-Q35 PolarHBondContact O-N 2.86Å; T32-Q35 PolarHBondContact O-N 2.68Å; R33-Q35 VanDerWaalsContact C-N 3.32Å; R33-Q35 PolarHBondContact O-N 2.94Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q35-V229 HydrophobicContact CG-CG2 4.03Å; Q35-T232 HydrophobicContact CB-CG2 4.22Å; Q35-T232 PolarHBondContact OE1-OG1 3.27Å; Q35-R233 PolarHBondContact O-NE 3.34Å; Q35-R233 VanDerWaalsContact O-NE 3.1Å; Q35-R233 PolarHBondContact O-NH2 3.14Å; Q35-K269 WeakPolarHBondContact CG-O 3.3Å |
| 36 | L | 85.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79.7 | -14.1 | 175 | -65.1 | 173 | 0 | 0 | 0 | 112.5 | T32 R33 G38 E39 A133 V141 T232 R233 N236 | T32-L36 HydrophobicContact CG2-CD1 4.06Å; T32-L36 WeakPolarHBondContact O-CG 3.36Å; T32-L36 PolarHBondContact O-N 3.03Å; T32-L36 VanDerWaalsContact O-N 3.12Å; R33-L36 PolarHBondContact O-N 3.39Å; L36-G38 PolarHBondContact O-N 2.9Å; L36-E39 PolarHBondContact O-N 3.1Å; L36-A133 HydrophobicContact CD1-CB 3.43Å; L36-A133 VanDerWaalsContact CD1-CB 3.43Å; L36-V141 HydrophobicContact CB-CG1 3.6Å; L36-V141 WeakPolarHBondContact O-CG1 3.45Å; L36-T232 HydrophobicContact CD1-CG2 4.46Å; L36-T232 HydrophobicContact CD2-CG2 4.03Å; L36-T232 HydrophobicContact CG-CG2 4Å; L36-R233 HydrophobicContact CD2-CG 3.95Å; L36-N236 HydrophobicContact CD1-CB 4.02Å; L36-N236 HydrophobicContact CD2-CB 3.57Å; L36-N236 HydrophobicContact CG-CB 4.45Å |
| 37 | Q | 82.8 | Confident | 80.5 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 122.9 | -175.1 | -163.8 | -176.9 | -102 | 0 | 0 | 112.8 | R33 L34 Q35 Y46 P49 Y50 V141 K269 | R33-Q37 PolarHBondContact O-N 2.85Å; R33-Q37 VanDerWaalsContact O-N 3.15Å; L34-Q37 PolarHBondContact O-N 3.46Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q37-Y46 HydrophobicContact CG-CD2 4.37Å; Q37-Y46 HydrophobicContact CG-CE2 3.74Å; Q37-P49 VanDerWaalsContact OE1-CD 3.24Å; Q37-Y50 PolarHBondContact NE2-O 3.22Å; Q37-Y50 VanDerWaalsContact OE1-CB 3.27Å; Q37-V141 HydrophobicContact CB-CG1 3.9Å; Q37-V141 HydrophobicContact CB-CG2 4.49Å; Q37-V141 HydrophobicContact CG-CG1 4.41Å; Q37-V141 HydrophobicContact CG-CG2 4.25Å; Q37-K269 PolarHBondContact O-NZ 3.49Å |
| 38 | G | 75.6 | Confident | 79.9 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 31.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L36 L40 Q41 E262 | L36-G38 PolarHBondContact O-N 2.9Å; G38-L40 PolarHBondContact O-N 2.92Å; G38-Q41 PolarHBondContact O-N 2.88Å; G38-Q41 VanDerWaalsContact O-N 3.12Å; G38-E262 VanDerWaalsContact O-OE1 3.04Å |
| 39 | E | 78.6 | Confident | 79.3 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 119.3 | 174.4 | 179.2 | 165.6 | -125.4 | 0 | 0 | 111.3 | L36 Q41 Y248 | L36-E39 PolarHBondContact O-N 3.1Å; E39-Q41 PolarHBondContact O-N 2.9Å; E39-Y248 WeakPolarHBondContact CG-OH 3.2Å; E39-Y248 WeakPolarHBondContact OE1-CE2 3.33Å; E39-Y248 PolarHBondContact OE1-OH 3.36Å |
| 40 | L | 73.9 | Confident | 78.8 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 23.3 | -179.2 | -59.1 | 172.9 | 0 | 0 | 0 | 114.3 | G38 L247 Y248 K257 Q261 E262 | G38-L40 PolarHBondContact O-N 2.92Å; L40-L247 HydrophobicContact CD1-CB 4.15Å; L40-L247 HydrophobicContact CD1-CD1 4.47Å; L40-L247 HydrophobicContact CD1-CD2 3.86Å; L40-L247 HydrophobicContact CD1-CG 4.38Å; L40-Y248 HydrophobicContact CD2-CE1 3.68Å; L40-Y248 HydrophobicContact CG-CE1 4.32Å; L40-Y248 WeakPolarHBondContact CG-OH 3.37Å; L40-K257 HydrophobicContact CD2-CB 4.05Å; L40-K257 HydrophobicContact CD2-CD 4.48Å; L40-Q261 PolarHBondContact O-OE1 3.36Å; L40-E262 PolarHBondContact N-OE1 2.56Å |
| 41 | Q | 75.6 | Confident | 78.3 | Confident | 94 Ų | 94 | 49.3 Ų | 49.3 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -123.3 | 134 | 179.3 | -67.9 | 178.7 | -7.7 | 0 | 0 | 110.9 | G38 E39 Y46 | G38-Q41 PolarHBondContact O-N 2.88Å; G38-Q41 VanDerWaalsContact O-N 3.12Å; E39-Q41 PolarHBondContact O-N 2.9Å; Q41-Y46 HydrophobicContact CB-CD1 3.81Å; Q41-Y46 HydrophobicContact CB-CG 4.43Å |
| 42 | A | 69.2 | Low | 77.9 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | trans | -58.8 | 145.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | G44 T45 Y46 Q261 | A42-G44 PolarHBondContact O-N 3.49Å; A42-G44 VanDerWaalsContact O-N 3.13Å; A42-T45 HydrophobicContact CB-CG2 4Å; A42-T45 PolarHBondContact O-N 3.42Å; A42-T45 VanDerWaalsContact O-N 3.16Å; A42-T45 PolarHBondContact O-OG1 3.43Å; A42-Y46 VanDerWaalsContact O-CD1 3.3Å; A42-Y46 WeakPolarHBondContact O-CD1 3.41Å; A42-Y46 WeakPolarHBondContact O-CE1 3.43Å; A42-Q261 WeakPolarHBondContact CA-O 3.19Å | ||
| 43 | R | 68.2 | Low | 77.6 | Confident | 170 Ų | 170 | 52.2 Ų | 52.2 | 64% | 0.642 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 121.6 | -177 | -166.5 | 175.9 | 179.9 | -179.6 | -2 | 110.1 | ||
| 44 | G | 67.8 | Low | 77.5 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 62% | 0.619 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.4 | -6.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A42 Y46 | A42-G44 PolarHBondContact O-N 3.49Å; A42-G44 VanDerWaalsContact O-N 3.13Å; G44-Y46 VanDerWaalsContact C-N 3.35Å |
| 45 | T | 72.1 | Confident | 77.4 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -90 | -0.3 | 176.6 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | A42 | A42-T45 HydrophobicContact CB-CG2 4Å; A42-T45 PolarHBondContact O-N 3.42Å; A42-T45 VanDerWaalsContact O-N 3.16Å; A42-T45 PolarHBondContact O-OG1 3.43Å |
| 46 | Y | 76.6 | Confident | 77.4 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -130.9 | 149.2 | -172.3 | 65.8 | -97.5 | 0 | 0 | 0 | 111.6 | Q37 Q41 A42 G44 Q48 K269 | Q37-Y46 HydrophobicContact CG-CD2 4.37Å; Q37-Y46 HydrophobicContact CG-CE2 3.74Å; Q41-Y46 HydrophobicContact CB-CD1 3.81Å; Q41-Y46 HydrophobicContact CB-CG 4.43Å; A42-Y46 VanDerWaalsContact O-CD1 3.3Å; A42-Y46 WeakPolarHBondContact O-CD1 3.41Å; A42-Y46 WeakPolarHBondContact O-CE1 3.43Å; G44-Y46 VanDerWaalsContact C-N 3.35Å; Y46-Q48 HydrophobicContact CD2-CG 4.19Å; Y46-Q48 HydrophobicContact CE2-CG 3.74Å; Y46-Q48 PolarHBondContact O-N 2.94Å; Y46-K269 PolarHBondContact OH-NZ 2.97Å |
| 47 | P | 72.8 | Confident | 77.4 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 73% | 0.734 | 35% | 0.346 | S | S | * | . | trans | -61.6 | 133.6 | 176.4 | 25.6 | -32.9 | 0 | 0 | 0 | 109.6 | P49 | P47-P49 WeakPolarHBondContact O-CD 3.43Š| ||
| 48 | Q | 77 | Confident | 77.6 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | trans | -105.3 | 78.4 | -179.8 | -70.1 | -178.3 | -12.7 | 0 | 0 | 110.4 | Y46 Y50 | Y46-Q48 HydrophobicContact CD2-CG 4.19Å; Y46-Q48 HydrophobicContact CE2-CG 3.74Å; Y46-Q48 PolarHBondContact O-N 2.94Å; Q48-Y50 PolarHBondContact O-N 3.03Å | ||
| 49 | P | 73.4 | Confident | 78 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -62.5 | -30.3 | 177.8 | 23.4 | -32.5 | 0 | 0 | 0 | 112.2 | Q37 P47 M139 V141 | Q37-P49 VanDerWaalsContact OE1-CD 3.24Å; P47-P49 WeakPolarHBondContact O-CD 3.43Å; P49-M139 HydrophobicContact CB-CE 3.44Å; P49-M139 VanDerWaalsContact CB-CE 3.44Å; P49-M139 HydrophobicContact CB-SD 3.32Å; P49-M139 WeakPolarHBondContact CB-SD 3.39Å; P49-V141 HydrophobicContact CG-CG2 4.01Å |
| 50 | Y | 78.4 | Confident | 78.3 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | trans | -107.8 | 100.7 | -177.9 | -58.1 | -64.8 | 0 | 0 | 0 | 110.4 | R33 Q37 Q48 S56 V60 M139 V141 | R33-Y50 HydrophobicContact CB-CD2 4.25Å; R33-Y50 HydrophobicContact CB-CE2 3.92Å; R33-Y50 WeakPolarHBondContact CD-OH 3.36Å; R33-Y50 PolarHBondContact NH1-OH 3.39Å; Q37-Y50 PolarHBondContact NE2-O 3.22Å; Q37-Y50 VanDerWaalsContact OE1-CB 3.27Å; Q48-Y50 PolarHBondContact O-N 3.03Å; Y50-S56 WeakPolarHBondContact CA-OG 3.11Å; Y50-S56 VanDerWaalsContact CB-OG 3.24Å; Y50-S56 WeakPolarHBondContact CB-OG 3.36Å; Y50-V60 HydrophobicContact CD1-CG2 4.47Å; Y50-V60 HydrophobicContact CE1-CG2 3.66Å; Y50-M139 HydrophobicContact CD1-CE 4.16Å; Y50-M139 HydrophobicContact CE1-CE 3.59Å; Y50-M139 PolarHBondContact OH-O 3.47Å; Y50-V141 HydrophobicContact CD2-CG2 4.08Å; Y50-V141 HydrophobicContact CE2-CG2 3.79Å | ||
| 51 | R | 78.7 | Confident | 78.9 | Confident | 181 Ų | 181 | 61.6 Ų | 61.6 | 68% | 0.683 | 36% | 0.359 | S | S | * | . | trans | -104.2 | 108.7 | 177.3 | -69.4 | -174.2 | 175.8 | -174.1 | -1.8 | 110.4 | A55 | R51-A55 WeakPolarHBondContact O-CB 3.47Š| ||
| 52 | G | 80.8 | Confident | 79.4 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 54% | 0.536 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 62.6 | -179.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S56 | G52-S56 VanDerWaalsContact O-CB 3.24Å; G52-S56 WeakPolarHBondContact O-CB 3.33Å; G52-S56 PolarHBondContact O-N 2.97Å; G52-S56 PolarHBondContact O-OG 3.24Å |
| 53 | F | 81.9 | Confident | 80.1 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76.9 | -55.3 | -173.8 | 177.8 | -120.4 | 0 | 0 | 0 | 113.3 | L27 V30 A55 S56 V57 P273 L276 | L27-F53 HydrophobicContact CB-CZ 4.36Å; L27-F53 HydrophobicContact CD2-CE1 4.43Å; L27-F53 HydrophobicContact CD2-CE2 4.31Å; L27-F53 HydrophobicContact CD2-CZ 3.53Å; L27-F53 HydrophobicContact CG-CZ 4.39Å; V30-F53 HydrophobicContact CB-CE2 4.4Å; V30-F53 HydrophobicContact CG1-CD2 3.82Å; V30-F53 HydrophobicContact CG1-CE2 4.04Å; F53-A55 PolarHBondContact O-N 3.43Å; F53-S56 WeakPolarHBondContact O-CB 3.48Å; F53-S56 PolarHBondContact O-N 2.86Å; F53-S56 VanDerWaalsContact O-N 3.14Å; F53-V57 HydrophobicContact CD2-CG2 4.36Å; F53-V57 HydrophobicContact CE2-CG2 4.05Å; F53-V57 HydrophobicContact CZ-CG2 4.17Å; F53-V57 WeakPolarHBondContact O-CG2 3.5Å; F53-V57 PolarHBondContact O-N 3.26Å; F53-P273 HydrophobicContact CD2-CB 3.58Å; F53-P273 HydrophobicContact CD2-CG 4.27Å; F53-P273 HydrophobicContact CE2-CB 3.63Å; F53-L276 HydrophobicContact CD1-CD1 3.24Å; F53-L276 HydrophobicContact CE1-CB 4.13Å; F53-L276 HydrophobicContact CE1-CD1 3.41Å; F53-L276 VanDerWaalsContact CE1-CD1 3.41Å; F53-L276 HydrophobicContact CE1-CG 4.39Å; F53-L276 HydrophobicContact CG-CD1 4.01Å; F53-L276 HydrophobicContact CZ-CB 4.32Å; F53-L276 HydrophobicContact CZ-CD1 4.27Å |
| 54 | M | 85.3 | Confident | 80.8 | Confident | 129 Ų | 129 | 62 Ų | 62 | 64% | 0.635 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.2 | -44.9 | -175.2 | -72.6 | -70 | 100.4 | 0 | 0 | 113.2 | S56 V57 A58 | M54-S56 VanDerWaalsContact C-N 3.25Å; M54-S56 PolarHBondContact O-N 2.94Å; M54-V57 HydrophobicContact CE-CG2 4.36Å; M54-V57 PolarHBondContact O-N 3.35Å; M54-A58 PolarHBondContact O-N 2.87Å |
| 55 | A | 85.6 | Confident | 81.6 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.9 | -29.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | R51 F53 A59 | R51-A55 WeakPolarHBondContact O-CB 3.47Å; F53-A55 PolarHBondContact O-N 3.43Å; A55-A59 WeakPolarHBondContact O-CB 3.46Å; A55-A59 PolarHBondContact O-N 3.4Å |
| 56 | S | 85.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 172.4 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | Y50 G52 F53 M54 A58 A59 V60 | Y50-S56 WeakPolarHBondContact CA-OG 3.11Å; Y50-S56 VanDerWaalsContact CB-OG 3.24Å; Y50-S56 WeakPolarHBondContact CB-OG 3.36Å; G52-S56 VanDerWaalsContact O-CB 3.24Å; G52-S56 WeakPolarHBondContact O-CB 3.33Å; G52-S56 PolarHBondContact O-N 2.97Å; G52-S56 PolarHBondContact O-OG 3.24Å; F53-S56 WeakPolarHBondContact O-CB 3.48Å; F53-S56 PolarHBondContact O-N 2.86Å; F53-S56 VanDerWaalsContact O-N 3.14Å; M54-S56 VanDerWaalsContact C-N 3.25Å; M54-S56 PolarHBondContact O-N 2.94Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.94Å; S56-A59 PolarHBondContact O-N 3.45Å; S56-V60 VanDerWaalsContact O-CG2 3.31Å; S56-V60 WeakPolarHBondContact O-CG2 3.15Å; S56-V60 PolarHBondContact O-N 2.7Å |
| 57 | V | 86.2 | Confident | 82.5 | Confident | 35 Ų | 35 | 72 Ų | 72 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 173.1 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | V30 F53 M54 A59 V60 A61 | V30-V57 HydrophobicContact CG1-CG2 4.43Å; V30-V57 HydrophobicContact CG2-CB 4.46Å; V30-V57 HydrophobicContact CG2-CG2 3.86Å; F53-V57 HydrophobicContact CD2-CG2 4.36Å; F53-V57 HydrophobicContact CE2-CG2 4.05Å; F53-V57 HydrophobicContact CZ-CG2 4.17Å; F53-V57 WeakPolarHBondContact O-CG2 3.5Å; F53-V57 PolarHBondContact O-N 3.26Å; M54-V57 HydrophobicContact CE-CG2 4.36Å; M54-V57 PolarHBondContact O-N 3.35Å; V57-A59 PolarHBondContact O-N 3.24Å; V57-V60 PolarHBondContact O-N 3.37Å; V57-A61 WeakPolarHBondContact O-CB 3.27Å; V57-A61 PolarHBondContact O-N 2.94Å |
| 58 | A | 86.9 | Confident | 82.9 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 35% | 0.347 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M54 S56 A61 R62 | M54-A58 PolarHBondContact O-N 2.87Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.94Å; A58-A61 PolarHBondContact O-N 3.45Å; A58-R62 WeakPolarHBondContact O-CB 3.22Å; A58-R62 VanDerWaalsContact O-CG 3.3Å; A58-R62 WeakPolarHBondContact O-CG 3.46Å; A58-R62 PolarHBondContact O-N 2.93Å |
| 59 | A | 84.8 | Confident | 83.2 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A55 S56 V57 R62 V63 M139 | A55-A59 WeakPolarHBondContact O-CB 3.46Å; A55-A59 PolarHBondContact O-N 3.4Å; S56-A59 PolarHBondContact O-N 3.45Å; V57-A59 PolarHBondContact O-N 3.24Å; A59-R62 PolarHBondContact O-N 3.27Å; A59-V63 WeakPolarHBondContact O-CB 3.37Å; A59-V63 VanDerWaalsContact O-CG2 3.32Å; A59-V63 WeakPolarHBondContact O-CG2 3.31Å; A59-V63 PolarHBondContact O-N 3.32Å; A59-M139 HydrophobicContact CB-CE 3.92Å |
| 60 | V | 84.6 | Confident | 84 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | V30 Y50 S56 V57 R62 V63 D64 G65 L69 | V30-V60 HydrophobicContact CG2-CG2 4.29Å; Y50-V60 HydrophobicContact CD1-CG2 4.47Å; Y50-V60 HydrophobicContact CE1-CG2 3.66Å; S56-V60 VanDerWaalsContact O-CG2 3.31Å; S56-V60 WeakPolarHBondContact O-CG2 3.15Å; S56-V60 PolarHBondContact O-N 2.7Å; V57-V60 PolarHBondContact O-N 3.37Å; V60-R62 VanDerWaalsContact C-N 3.29Å; V60-R62 PolarHBondContact O-N 3.01Å; V60-V63 PolarHBondContact O-N 2.77Å; V60-D64 HydrophobicContact CG1-CB 4.33Å; V60-D64 PolarHBondContact O-N 3.03Å; V60-G65 PolarHBondContact O-N 3.44Å; V60-L69 HydrophobicContact CB-CD2 3.87Å; V60-L69 HydrophobicContact CG1-CD2 3.61Å; V60-L69 HydrophobicContact CG1-CG 4.01Å |
| 61 | A | 86.6 | Confident | 84.4 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 26% | 0.256 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V57 A58 G65 L69 | V57-A61 WeakPolarHBondContact O-CB 3.27Å; V57-A61 PolarHBondContact O-N 2.94Å; A58-A61 PolarHBondContact O-N 3.45Å; A61-G65 CarbonylContact O-C 3.56Å; A61-G65 WeakPolarHBondContact O-CA 3.18Å; A61-G65 PolarHBondContact O-N 3Å; A61-L69 HydrophobicContact CB-CD1 4.07Å |
| 62 | R | 86.3 | Confident | 84.7 | Confident | 221 Ų | 221 | 58.2 Ų | 58.2 | 83% | 0.834 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -75.6 | -37.5 | 178.6 | -74.6 | 177.7 | -179.6 | -179.8 | 0.4 | 113.2 | A58 A59 V60 | A58-R62 WeakPolarHBondContact O-CB 3.22Å; A58-R62 VanDerWaalsContact O-CG 3.3Å; A58-R62 WeakPolarHBondContact O-CG 3.46Å; A58-R62 PolarHBondContact O-N 2.93Å; A59-R62 PolarHBondContact O-N 3.27Å; V60-R62 VanDerWaalsContact C-N 3.29Å; V60-R62 PolarHBondContact O-N 3.01Å |
| 63 | V | 84.2 | Confident | 85.2 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -89.2 | -49.3 | -174 | 177.4 | 0 | 0 | 0 | 0 | 112 | A59 V60 V136 M139 | A59-V63 WeakPolarHBondContact O-CB 3.37Å; A59-V63 VanDerWaalsContact O-CG2 3.32Å; A59-V63 WeakPolarHBondContact O-CG2 3.31Å; A59-V63 PolarHBondContact O-N 3.32Å; V60-V63 PolarHBondContact O-N 2.77Å; V63-V136 HydrophobicContact CG1-CB 4.05Å; V63-V136 HydrophobicContact CG1-CG2 3.86Å; V63-M139 HydrophobicContact CG1-CG 4.18Å; V63-M139 HydrophobicContact CG2-CG 4.25Å |
| 64 | D | 81.3 | Confident | 85.6 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -3.3 | -175.6 | -64.9 | -11.8 | 0 | 0 | 0 | 112.7 | R33 V60 G68 T135 | R33-D64 IonicContact CZ-OD2 3.16Å; R33-D64 IonicContact NH1-OD2 2.74Å; R33-D64 PolarHBondContact NH1-OD2 2.91Å; R33-D64 IonicContact NH2-OD2 2.69Å; R33-D64 PolarHBondContact NH2-OD2 3.02Å; V60-D64 HydrophobicContact CG1-CB 4.33Å; V60-D64 PolarHBondContact O-N 3.03Å; D64-G68 PolarHBondContact O-N 3.14Å; D64-T135 VanDerWaalsContact CG-OG1 3.31Å; D64-T135 PolarHBondContact OD1-OG1 2.73Å; D64-T135 WeakPolarHBondContact OD2-CB 3.48Å; D64-T135 PolarHBondContact OD2-OG1 3.16Å |
| 65 | G | 85.3 | Confident | 85.7 | Confident | 29 Ų | 29 | 53 Ų | 53 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | 73.9 | 180 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V60 A61 W67 G68 | V60-G65 PolarHBondContact O-N 3.44Å; A61-G65 CarbonylContact O-C 3.56Å; A61-G65 WeakPolarHBondContact O-CA 3.18Å; A61-G65 PolarHBondContact O-N 3Å; G65-W67 VanDerWaalsContact C-N 3.29Å; G65-W67 PolarHBondContact O-N 3.24Å; G65-G68 PolarHBondContact O-N 3.25Å; G65-G68 VanDerWaalsContact O-N 3.11Å |
| 66 | L | 84.2 | Confident | 85.8 | Confident | 138 Ų | 138 | 50.3 Ų | 50.3 | 72% | 0.723 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.6 | -32.7 | 178 | -65 | 176.2 | 0 | 0 | 0 | 112.5 | G68 L69 | L66-G68 VanDerWaalsContact C-N 3.29Å; L66-G68 PolarHBondContact O-N 3.33Å; L66-L69 HydrophobicContact CD2-CD1 4.46Å; L66-L69 WeakPolarHBondContact O-CB 3.42Å; L66-L69 PolarHBondContact O-N 2.99Å |
| 67 | W | 83.5 | Confident | 86.1 | Confident | 224 Ų | 224 | 53 Ų | 53 | 85% | 0.848 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.1 | -26.7 | 174.3 | -66.9 | 108.5 | 0 | 0 | 0 | 112.8 | G65 L69 Q70 K71 | G65-W67 VanDerWaalsContact C-N 3.29Å; G65-W67 PolarHBondContact O-N 3.24Å; W67-L69 VanDerWaalsContact C-N 3.27Å; W67-L69 PolarHBondContact O-N 3.45Å; W67-Q70 PolarHBondContact O-N 3.5Å; W67-K71 PolarHBondContact O-N 3.23Å |
| 68 | G | 80.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -36.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D64 G65 L66 Q70 K71 | D64-G68 PolarHBondContact O-N 3.14Å; G65-G68 PolarHBondContact O-N 3.25Å; G65-G68 VanDerWaalsContact O-N 3.11Å; L66-G68 VanDerWaalsContact C-N 3.29Å; L66-G68 PolarHBondContact O-N 3.33Å; G68-Q70 PolarHBondContact O-N 3.39Å; G68-K71 WeakPolarHBondContact O-CG 3.31Å; G68-K71 PolarHBondContact O-N 2.83Å |
| 69 | L | 84.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.3 | 174.2 | -69.2 | 168.2 | 0 | 0 | 0 | 112.7 | N25 P26 V29 V30 V60 A61 L66 W67 | N25-L69 PolarHBondContact ND2-O 2.87Å; N25-L69 VanDerWaalsContact ND2-O 3.16Å; P26-L69 VanDerWaalsContact CA-O 3.25Å; P26-L69 WeakPolarHBondContact CA-O 3.34Å; P26-L69 HydrophobicContact CB-CB 3.96Å; P26-L69 HydrophobicContact CB-CD2 4.32Å; P26-L69 HydrophobicContact CG-CB 4.22Å; V29-L69 WeakPolarHBondContact CG2-O 3.36Å; V30-L69 HydrophobicContact CG2-CD2 4.26Å; V60-L69 HydrophobicContact CB-CD2 3.87Å; V60-L69 HydrophobicContact CG1-CD2 3.61Å; V60-L69 HydrophobicContact CG1-CG 4.01Å; A61-L69 HydrophobicContact CB-CD1 4.07Å; L66-L69 HydrophobicContact CD2-CD1 4.46Å; L66-L69 WeakPolarHBondContact O-CB 3.42Å; L66-L69 PolarHBondContact O-N 2.99Å; W67-L69 VanDerWaalsContact C-N 3.27Å; W67-L69 PolarHBondContact O-N 3.45Å |
| 70 | Q | 89.5 | Confident | 86.5 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 17% | 0.173 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 7.5 | 179.5 | -149.5 | 62.4 | 9.3 | 0 | 0 | 113.7 | V22 N25 W67 G68 G72 L73 | V22-Q70 PolarHBondContact O-NE2 3.15Å; N25-Q70 VanDerWaalsContact ND2-C 3.25Å; N25-Q70 VanDerWaalsContact ND2-CA 3.31Å; N25-Q70 WeakPolarHBondContact ND2-CA 3.25Å; N25-Q70 PolarHBondContact ND2-O 3.49Å; W67-Q70 PolarHBondContact O-N 3.5Å; G68-Q70 PolarHBondContact O-N 3.39Å; Q70-G72 PolarHBondContact O-N 3.06Å; Q70-L73 HydrophobicContact CG-CB 3.96Å; Q70-L73 HydrophobicContact CG-CD2 3.81Å; Q70-L73 HydrophobicContact CG-CG 4.38Å; Q70-L73 VanDerWaalsContact NE2-CD2 3.31Å; Q70-L73 WeakPolarHBondContact O-CB 3.38Å; Q70-L73 PolarHBondContact O-N 3.48Å |
| 71 | K | 86.7 | Confident | 86.6 | Confident | 60 Ų | 60 | 57 Ų | 57 | 26% | 0.261 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 140.5 | 176.7 | -76.1 | -176.1 | -179 | -172.5 | 0 | 111.4 | N25 V29 W67 G68 L73 Q132 Q134 | N25-K71 PolarHBondContact ND2-O 3.35Å; V29-K71 HydrophobicContact CG2-CB 4.48Å; W67-K71 PolarHBondContact O-N 3.23Å; G68-K71 WeakPolarHBondContact O-CG 3.31Å; G68-K71 PolarHBondContact O-N 2.83Å; K71-L73 VanDerWaalsContact C-N 3.25Å; K71-L73 PolarHBondContact O-N 2.91Å; K71-Q132 WeakPolarHBondContact O-CG 3.35Å; K71-Q134 PolarHBondContact NZ-O 3.41Å |
| 72 | G | 86.1 | Confident | 86.6 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 3.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q70 A74 A75 G76 | Q70-G72 PolarHBondContact O-N 3.06Å; G72-A74 PolarHBondContact O-N 3.48Å; G72-A75 PolarHBondContact O-N 3Å; G72-G76 PolarHBondContact O-N 3.43Å |
| 73 | L | 89.9 | Confident | 86.6 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | -179.2 | 177 | 67 | 0 | 0 | 0 | 112.5 | V22 N25 Q70 K71 A75 G76 L77 | V22-L73 HydrophobicContact CG2-CD1 4.3Å; V22-L73 HydrophobicContact CG2-CD2 4.47Å; N25-L73 HydrophobicContact CB-CD1 4.07Å; Q70-L73 HydrophobicContact CG-CB 3.96Å; Q70-L73 HydrophobicContact CG-CD2 3.81Å; Q70-L73 HydrophobicContact CG-CG 4.38Å; Q70-L73 VanDerWaalsContact NE2-CD2 3.31Å; Q70-L73 WeakPolarHBondContact O-CB 3.38Å; Q70-L73 PolarHBondContact O-N 3.48Å; K71-L73 VanDerWaalsContact C-N 3.25Å; K71-L73 PolarHBondContact O-N 2.91Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 2.68Å; L73-G76 CarbonylContact O-C 3.51Å; L73-G76 WeakPolarHBondContact O-CA 3.25Å; L73-G76 PolarHBondContact O-N 3.15Å; L73-L77 HydrophobicContact CD1-CD1 4.33Å; L73-L77 HydrophobicContact CD1-CD2 4.35Å; L73-L77 HydrophobicContact CD1-CG 4.08Å; L73-L77 HydrophobicContact CD2-CD1 4.48Å; L73-L77 HydrophobicContact CG-CD1 4.08Å; L73-L77 HydrophobicContact CG-CG 4.23Å; L73-L77 WeakPolarHBondContact O-CG 3.31Å; L73-L77 PolarHBondContact O-N 2.89Å |
| 74 | A | 90 | Very high | 86.6 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 51% | 0.512 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -42.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G72 G76 L77 L78 V150 | G72-A74 PolarHBondContact O-N 3.48Å; A74-G76 VanDerWaalsContact C-N 3.33Å; A74-L77 PolarHBondContact O-N 3.49Å; A74-L78 WeakPolarHBondContact O-CB 3.39Å; A74-L78 PolarHBondContact O-N 2.93Å; A74-V150 HydrophobicContact CB-CG2 4.02Å |
| 75 | A | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G72 L73 Y79 I127 K128 V150 | G72-A75 PolarHBondContact O-N 3Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 2.68Å; A75-Y79 VanDerWaalsContact O-CB 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.49Å; A75-Y79 PolarHBondContact O-N 3.25Å; A75-I127 HydrophobicContact CB-CB 4.44Å; A75-I127 HydrophobicContact CB-CG2 4.13Å; A75-K128 HydrophobicContact CB-CB 3.77Å; A75-V150 HydrophobicContact CB-CG1 4.42Å; A75-V150 HydrophobicContact CB-CG2 4.03Å |
| 76 | G | 87.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | G72 L73 A74 Y79 Q80 | G72-G76 PolarHBondContact O-N 3.43Å; L73-G76 CarbonylContact O-C 3.51Å; L73-G76 WeakPolarHBondContact O-CA 3.25Å; L73-G76 PolarHBondContact O-N 3.15Å; A74-G76 VanDerWaalsContact C-N 3.33Å; G76-Y79 PolarHBondContact O-N 3.45Å; G76-Q80 WeakPolarHBondContact O-CB 3.36Å; G76-Q80 PolarHBondContact O-N 3.48Å |
| 77 | L | 90.6 | Very high | 86.8 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 29% | 0.293 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -43.1 | 175.2 | -65.9 | 176.8 | 0 | 0 | 0 | 111.1 | C18 C21 L73 A74 Y79 Q80 G81 | C18-L77 HydrophobicContact CB-CD2 3.8Å; C18-L77 WeakPolarHBondContact O-CD2 3.41Å; C21-L77 HydrophobicContact CB-CD2 4.13Å; L73-L77 HydrophobicContact CD1-CD1 4.33Å; L73-L77 HydrophobicContact CD1-CD2 4.35Å; L73-L77 HydrophobicContact CD1-CG 4.08Å; L73-L77 HydrophobicContact CD2-CD1 4.48Å; L73-L77 HydrophobicContact CG-CD1 4.08Å; L73-L77 HydrophobicContact CG-CG 4.23Å; L73-L77 WeakPolarHBondContact O-CG 3.31Å; L73-L77 PolarHBondContact O-N 2.89Å; A74-L77 PolarHBondContact O-N 3.49Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 2.83Å; L77-Q80 PolarHBondContact O-N 3.36Å; L77-G81 PolarHBondContact O-N 3.02Å |
| 78 | L | 90.3 | Very high | 86.6 | Confident | 88 Ų | 88 | 36.8 Ų | 36.8 | 46% | 0.461 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 174.1 | -179 | 64 | 0 | 0 | 0 | 111.2 | A74 Q80 G81 L82 A124 | A74-L78 WeakPolarHBondContact O-CB 3.39Å; A74-L78 PolarHBondContact O-N 2.93Å; L78-Q80 PolarHBondContact O-N 2.96Å; L78-G81 PolarHBondContact O-N 3.41Å; L78-L82 HydrophobicContact CD1-CD1 4.11Å; L78-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CG-CD1 3.96Å; L78-L82 HydrophobicContact CG-CG 4.49Å; L78-L82 WeakPolarHBondContact O-CB 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 2.93Å; L78-A124 HydrophobicContact CB-CB 4.33Å; L78-A124 HydrophobicContact CD2-CB 3.98Å; L78-A124 HydrophobicContact CG-CB 4Å |
| 79 | Y | 89.3 | Confident | 86.8 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 175.2 | 173.4 | -100.1 | 0 | 0 | 0 | 111.8 | A75 G76 L77 G81 L82 M83 G121 Y125 | A75-Y79 VanDerWaalsContact O-CB 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.49Å; A75-Y79 PolarHBondContact O-N 3.25Å; G76-Y79 PolarHBondContact O-N 3.45Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 2.83Å; Y79-G81 VanDerWaalsContact C-N 3.33Å; Y79-G81 PolarHBondContact O-N 2.96Å; Y79-L82 PolarHBondContact O-N 3.22Å; Y79-M83 HydrophobicContact CE1-CB 4.49Å; Y79-M83 HydrophobicContact CE1-SD 3.68Å; Y79-M83 HydrophobicContact CE2-SD 4.45Å; Y79-M83 VanDerWaalsContact CZ-SD 3.53Å; Y79-M83 WeakPolarHBondContact O-CB 3.46Å; Y79-M83 PolarHBondContact O-N 3.37Å; Y79-M83 PolarHBondContact OH-SD 2.99Å; Y79-G121 WeakPolarHBondContact CD2-O 3.46Å; Y79-Y125 HydrophobicContact CD1-CD2 4.41Å; Y79-Y125 HydrophobicContact CD2-CD2 4.15Å; Y79-Y125 HydrophobicContact CD2-CG 4.38Å; Y79-Y125 HydrophobicContact CE1-CD2 4.27Å; Y79-Y125 AromaticContact CE2-CD2 3.98Å; Y79-Y125 HydrophobicContact CE2-CD2 3.98Å; Y79-Y125 HydrophobicContact CE2-CG 4.19Å; Y79-Y125 HydrophobicContact CG-CD2 4.34Å |
| 80 | Q | 86.6 | Confident | 86.9 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | -179.3 | -166.5 | 64.9 | 17.3 | 0 | 0 | 111.6 | C17 G76 L77 L78 N84 | C17-Q80 HydrophobicContact CB-CG 3.95Å; C17-Q80 VanDerWaalsContact CB-NE2 3.31Å; G76-Q80 WeakPolarHBondContact O-CB 3.36Å; G76-Q80 PolarHBondContact O-N 3.48Å; L77-Q80 PolarHBondContact O-N 3.36Å; L78-Q80 PolarHBondContact O-N 2.96Å; Q80-N84 WeakPolarHBondContact CG-ND2 3.35Å; Q80-N84 PolarHBondContact NE2-ND2 3.41Å; Q80-N84 VanDerWaalsContact O-CB 3.27Å; Q80-N84 WeakPolarHBondContact O-CB 3.42Å; Q80-N84 VanDerWaalsContact O-CG 3.29Å; Q80-N84 PolarHBondContact O-N 3.48Å; Q80-N84 VanDerWaalsContact O-N 3.13Å; Q80-N84 PolarHBondContact O-ND2 3.39Å |
| 81 | G | 86.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 39% | 0.392 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -52.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L77 L78 Y79 G85 | L77-G81 PolarHBondContact O-N 3.02Å; L78-G81 PolarHBondContact O-N 3.41Å; Y79-G81 VanDerWaalsContact C-N 3.33Å; Y79-G81 PolarHBondContact O-N 2.96Å; G81-G85 PolarHBondContact O-N 3.28Å |
| 82 | L | 87.9 | Confident | 86.3 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | -179.7 | -70.2 | 173 | 0 | 0 | 0 | 112 | L78 Y79 N84 G85 V86 A124 | L78-L82 HydrophobicContact CD1-CD1 4.11Å; L78-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CG-CD1 3.96Å; L78-L82 HydrophobicContact CG-CG 4.49Å; L78-L82 WeakPolarHBondContact O-CB 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 2.93Å; Y79-L82 PolarHBondContact O-N 3.22Å; L82-N84 PolarHBondContact O-N 3.16Å; L82-G85 PolarHBondContact O-N 3.4Å; L82-V86 WeakPolarHBondContact O-CG2 2.85Å; L82-V86 PolarHBondContact O-N 3.41Å; L82-A124 HydrophobicContact CD1-CB 4.28Å |
| 83 | M | 85.1 | Confident | 86.2 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | -177.2 | -173.1 | -171.5 | -174.1 | 0 | 0 | 111.3 | Y79 R87 V177 | Y79-M83 HydrophobicContact CE1-CB 4.49Å; Y79-M83 HydrophobicContact CE1-SD 3.68Å; Y79-M83 HydrophobicContact CE2-SD 4.45Å; Y79-M83 VanDerWaalsContact CZ-SD 3.53Å; Y79-M83 WeakPolarHBondContact O-CB 3.46Å; Y79-M83 PolarHBondContact O-N 3.37Å; Y79-M83 PolarHBondContact OH-SD 2.99Å; M83-R87 WeakPolarHBondContact O-CB 3.27Å; M83-R87 PolarHBondContact O-N 2.85Å; M83-V177 HydrophobicContact CE-CG1 4.09Å; M83-V177 HydrophobicContact CE-CG2 4.09Å |
| 84 | N | 84.3 | Confident | 85.9 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 179.6 | -74.2 | -42.8 | 0 | 0 | 0 | 111.3 | Q80 L82 V86 R87 F88 | Q80-N84 WeakPolarHBondContact CG-ND2 3.35Å; Q80-N84 PolarHBondContact NE2-ND2 3.41Å; Q80-N84 VanDerWaalsContact O-CB 3.27Å; Q80-N84 WeakPolarHBondContact O-CB 3.42Å; Q80-N84 VanDerWaalsContact O-CG 3.29Å; Q80-N84 PolarHBondContact O-N 3.48Å; Q80-N84 VanDerWaalsContact O-N 3.13Å; Q80-N84 PolarHBondContact O-ND2 3.39Å; L82-N84 PolarHBondContact O-N 3.16Å; N84-V86 PolarHBondContact O-N 3.09Å; N84-R87 PolarHBondContact O-N 3.38Å; N84-R87 PolarHBondContact OD1-NH2 2.95Å; N84-F88 VanDerWaalsContact C-CD2 3.46Å; N84-F88 HydrophobicContact CB-CD2 4.11Å; N84-F88 HydrophobicContact CB-CE2 3.68Å; N84-F88 HydrophobicContact CB-CZ 4.38Å; N84-F88 WeakPolarHBondContact O-CB 3.49Å; N84-F88 WeakPolarHBondContact O-CD2 3.18Å; N84-F88 WeakPolarHBondContact O-CG 3.37Å; N84-F88 PolarHBondContact O-N 2.8Å |
| 85 | G | 84.8 | Confident | 85.4 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55 | -49 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G81 L82 F88 Y89 | G81-G85 PolarHBondContact O-N 3.28Å; L82-G85 PolarHBondContact O-N 3.4Å; G85-F88 PolarHBondContact O-N 2.93Å; G85-Y89 PolarHBondContact O-N 2.81Å |
| 86 | V | 87.1 | Confident | 85.2 | Confident | 32 Ų | 32 | 56 Ų | 56 | 19% | 0.194 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.3 | -46 | 178.9 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | L82 N84 F88 Y89 C90 L116 V120 | L82-V86 WeakPolarHBondContact O-CG2 2.85Å; L82-V86 PolarHBondContact O-N 3.41Å; N84-V86 PolarHBondContact O-N 3.09Å; V86-F88 PolarHBondContact O-N 3.27Å; V86-Y89 PolarHBondContact O-N 2.97Å; V86-C90 WeakPolarHBondContact O-CB 3.44Å; V86-C90 PolarHBondContact O-N 3.08Å; V86-C90 PolarHBondContact O-SG 3.06Å; V86-L116 HydrophobicContact CG1-CB 4.05Å; V86-V120 HydrophobicContact CG1-CG2 4.31Å; V86-V120 HydrophobicContact CG2-CB 3.91Å; V86-V120 HydrophobicContact CG2-CG1 3.81Å; V86-V120 HydrophobicContact CG2-CG2 4.02Å |
| 87 | R | 83.2 | Confident | 85 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.5 | -42.6 | 178.7 | -176.2 | -178.9 | 69 | -175.7 | -0.4 | 110.9 | M83 N84 Y91 A113 | M83-R87 WeakPolarHBondContact O-CB 3.27Å; M83-R87 PolarHBondContact O-N 2.85Å; N84-R87 PolarHBondContact O-N 3.38Å; N84-R87 PolarHBondContact OD1-NH2 2.95Å; R87-Y91 WeakPolarHBondContact O-CB 3.28Å; R87-Y91 PolarHBondContact O-N 2.91Å; R87-A113 HydrophobicContact CG-CB 4Å; R87-A113 WeakPolarHBondContact O-CB 3.38Å |
| 88 | F | 79.9 | Confident | 84.6 | Confident | 54 Ų | 54 | 58 Ų | 58 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.1 | -46 | -179.9 | -67.7 | -40.5 | 0 | 0 | 0 | 113.3 | L10 N84 G85 V86 C90 Y91 S92 | L10-F88 HydrophobicContact CD1-CB 3.78Å; L10-F88 HydrophobicContact CD1-CD1 3.79Å; L10-F88 HydrophobicContact CD1-CD2 3.76Å; L10-F88 HydrophobicContact CD1-CE1 4.28Å; L10-F88 HydrophobicContact CD1-CE2 4.22Å; L10-F88 HydrophobicContact CD1-CG 3.51Å; L10-F88 HydrophobicContact CD1-CZ 4.47Å; L10-F88 HydrophobicContact CD2-CB 4.26Å; L10-F88 HydrophobicContact CD2-CD2 3.25Å; L10-F88 HydrophobicContact CD2-CE2 3.64Å; L10-F88 HydrophobicContact CD2-CG 3.89Å; L10-F88 HydrophobicContact CG-CB 4.39Å; L10-F88 HydrophobicContact CG-CD1 4.18Å; L10-F88 HydrophobicContact CG-CD2 3.44Å; L10-F88 VanDerWaalsContact CG-CD2 3.44Å; L10-F88 HydrophobicContact CG-CE1 4.3Å; L10-F88 HydrophobicContact CG-CE2 3.55Å; L10-F88 HydrophobicContact CG-CG 3.77Å; L10-F88 HydrophobicContact CG-CZ 4Å; N84-F88 VanDerWaalsContact C-CD2 3.46Å; N84-F88 HydrophobicContact CB-CD2 4.11Å; N84-F88 HydrophobicContact CB-CE2 3.68Å; N84-F88 HydrophobicContact CB-CZ 4.38Å; N84-F88 WeakPolarHBondContact O-CB 3.49Å; N84-F88 WeakPolarHBondContact O-CD2 3.18Å; N84-F88 WeakPolarHBondContact O-CG 3.37Å; N84-F88 PolarHBondContact O-N 2.8Å; G85-F88 PolarHBondContact O-N 2.93Å; V86-F88 PolarHBondContact O-N 3.27Å; F88-C90 VanDerWaalsContact C-N 3.34Å; F88-C90 PolarHBondContact O-N 3.49Å; F88-Y91 PolarHBondContact O-N 3.48Å; F88-S92 WeakPolarHBondContact O-CB 3.18Å; F88-S92 PolarHBondContact O-N 2.87Å |
| 89 | Y | 85.3 | Confident | 84 | Confident | 158 Ų | 158 | 57.7 Ų | 57.7 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58 | -48.2 | 176.3 | -179.2 | -106 | 0 | 0 | 0 | 111.1 | G85 V86 Y91 S92 L93 | G85-Y89 PolarHBondContact O-N 2.81Å; V86-Y89 PolarHBondContact O-N 2.97Å; Y89-Y91 PolarHBondContact O-N 3.33Å; Y89-S92 PolarHBondContact O-N 3.29Å; Y89-L93 HydrophobicContact CD1-CD1 3.99Å; Y89-L93 HydrophobicContact CE1-CD1 3.48Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.48Å; Y89-L93 HydrophobicContact CE1-CG 4.37Å; Y89-L93 WeakPolarHBondContact O-CG 3.3Å; Y89-L93 PolarHBondContact O-N 2.99Å |
| 90 | C | 85.6 | Confident | 83.3 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 177.6 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | V86 F88 L93 A94 A113 L116 | V86-C90 WeakPolarHBondContact O-CB 3.44Å; V86-C90 PolarHBondContact O-N 3.08Å; V86-C90 PolarHBondContact O-SG 3.06Å; F88-C90 VanDerWaalsContact C-N 3.34Å; F88-C90 PolarHBondContact O-N 3.49Å; C90-L93 PolarHBondContact O-N 3.24Å; C90-A94 PolarHBondContact O-N 3.38Å; C90-A113 HydrophobicContact CB-CB 3.68Å; C90-L116 HydrophobicContact CB-CD1 4.49Å; C90-L116 VanDerWaalsContact SG-CD1 3.57Å |
| 91 | Y | 80.7 | Confident | 82.9 | Confident | 90 Ų | 90 | 64 Ų | 64 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 177.1 | -172.1 | -94.6 | 0 | 0 | 0 | 112 | R87 F88 Y89 A94 C95 T100 T106 A109 | R87-Y91 WeakPolarHBondContact O-CB 3.28Å; R87-Y91 PolarHBondContact O-N 2.91Å; F88-Y91 PolarHBondContact O-N 3.48Å; Y89-Y91 PolarHBondContact O-N 3.33Å; Y91-A94 PolarHBondContact O-N 3.13Å; Y91-C95 VanDerWaalsContact CE1-SG 3.56Å; Y91-C95 PolarHBondContact O-N 3.31Å; Y91-C95 PolarHBondContact O-SG 3.27Å; Y91-T100 HydrophobicContact CE2-CG2 4.43Å; Y91-T106 HydrophobicContact CE2-CG2 4.25Å; Y91-A109 HydrophobicContact CD2-CB 4.33Å; Y91-A109 HydrophobicContact CE2-CB 4.44Å |
| 92 | S | 82.1 | Confident | 82.6 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.4 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | F88 Y89 A94 C95 Q96 | F88-S92 WeakPolarHBondContact O-CB 3.18Å; F88-S92 PolarHBondContact O-N 2.87Å; Y89-S92 PolarHBondContact O-N 3.29Å; S92-A94 VanDerWaalsContact C-N 3.33Å; S92-A94 PolarHBondContact O-N 3.47Å; S92-C95 WeakPolarHBondContact O-CB 3.46Å; S92-C95 PolarHBondContact O-N 2.87Å; S92-Q96 WeakPolarHBondContact O-CG 3.32Å; S92-Q96 PolarHBondContact O-N 3.14Å |
| 93 | L | 85.3 | Confident | 82.1 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 174.1 | -71 | 176.4 | 0 | 0 | 0 | 112.1 | Y89 C90 C95 Q96 A97 | Y89-L93 HydrophobicContact CD1-CD1 3.99Å; Y89-L93 HydrophobicContact CE1-CD1 3.48Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.48Å; Y89-L93 HydrophobicContact CE1-CG 4.37Å; Y89-L93 WeakPolarHBondContact O-CG 3.3Å; Y89-L93 PolarHBondContact O-N 2.99Å; C90-L93 PolarHBondContact O-N 3.24Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 2.9Å; L93-Q96 PolarHBondContact O-N 3.46Å; L93-A97 WeakPolarHBondContact O-CB 3.42Å; L93-A97 PolarHBondContact O-N 2.67Å |
| 94 | A | 83.3 | Confident | 81.6 | Confident | 11 Ų | 11 | 72.5 Ų | 72.5 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C90 Y91 S92 G98 L99 A109 | C90-A94 PolarHBondContact O-N 3.38Å; Y91-A94 PolarHBondContact O-N 3.13Å; S92-A94 VanDerWaalsContact C-N 3.33Å; S92-A94 PolarHBondContact O-N 3.47Å; A94-G98 PolarHBondContact O-N 3.44Å; A94-L99 HydrophobicContact CB-CB 4.48Å; A94-L99 HydrophobicContact CB-CD1 4.36Å; A94-L99 WeakPolarHBondContact O-CB 3.47Å; A94-L99 PolarHBondContact O-N 3.43Å; A94-L99 VanDerWaalsContact O-N 3.11Å; A94-A109 HydrophobicContact CB-CB 3.54Å |
| 95 | C | 79.4 | Confident | 81.4 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 172 | -74 | 0 | 0 | 0 | 0 | 112 | Y91 S92 L93 A97 G98 T100 | Y91-C95 VanDerWaalsContact CE1-SG 3.56Å; Y91-C95 PolarHBondContact O-N 3.31Å; Y91-C95 PolarHBondContact O-SG 3.27Å; S92-C95 WeakPolarHBondContact O-CB 3.46Å; S92-C95 PolarHBondContact O-N 2.87Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 2.9Å; C95-A97 VanDerWaalsContact C-N 3.27Å; C95-A97 PolarHBondContact O-N 3.48Å; C95-G98 PolarHBondContact O-N 3.28Å; C95-T100 VanDerWaalsContact SG-CG2 3.58Å |
| 96 | Q | 84.3 | Confident | 81.1 | Confident | 154 Ų | 154 | 73.9 Ų | 73.9 | 72% | 0.72 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.4 | -34.3 | 178.5 | -72.3 | 177.9 | -3.3 | 0 | 0 | 112.4 | S92 L93 G98 | S92-Q96 WeakPolarHBondContact O-CG 3.32Å; S92-Q96 PolarHBondContact O-N 3.14Å; L93-Q96 PolarHBondContact O-N 3.46Å; Q96-G98 PolarHBondContact O-N 2.92Å |
| 97 | A | 83.6 | Confident | 80.7 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 59% | 0.587 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | L93 C95 L99 | L93-A97 WeakPolarHBondContact O-CB 3.42Å; L93-A97 PolarHBondContact O-N 2.67Å; C95-A97 VanDerWaalsContact C-N 3.27Å; C95-A97 PolarHBondContact O-N 3.48Å; A97-L99 HydrophobicContact CB-CD1 4Å; A97-L99 HydrophobicContact CB-CG 4.48Å; A97-L99 PolarHBondContact O-N 2.98Å |
| 98 | G | 81.4 | Confident | 80.6 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 7.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A94 C95 Q96 T100 Q101 | A94-G98 PolarHBondContact O-N 3.44Å; C95-G98 PolarHBondContact O-N 3.28Å; Q96-G98 PolarHBondContact O-N 2.92Å; G98-T100 VanDerWaalsContact C-N 3.26Å; G98-T100 PolarHBondContact O-N 3.06Å; G98-Q101 WeakPolarHBondContact O-CB 3.47Å; G98-Q101 PolarHBondContact O-N 3.15Å; G98-Q101 VanDerWaalsContact O-N 3.17Å |
| 99 | L | 78.8 | Confident | 80.8 | Confident | 80 Ų | 80 | 73 Ų | 73 | 42% | 0.419 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -61.3 | -36 | 179.9 | -80.7 | 149.6 | 0 | 0 | 0 | 111.5 | A94 A97 Q101 Q102 G105 | A94-L99 HydrophobicContact CB-CB 4.48Å; A94-L99 HydrophobicContact CB-CD1 4.36Å; A94-L99 WeakPolarHBondContact O-CB 3.47Å; A94-L99 PolarHBondContact O-N 3.43Å; A94-L99 VanDerWaalsContact O-N 3.11Å; A97-L99 HydrophobicContact CB-CD1 4Å; A97-L99 HydrophobicContact CB-CG 4.48Å; A97-L99 PolarHBondContact O-N 2.98Å; L99-Q101 PolarHBondContact O-N 3.12Å; L99-Q102 PolarHBondContact O-N 2.93Å; L99-G105 WeakPolarHBondContact O-CA 3.17Å |
| 100 | T | 74.4 | Confident | 80.5 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 15% | 0.147 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -69.1 | -14.3 | -179.7 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | Y91 C95 G98 T106 A109 | Y91-T100 HydrophobicContact CE2-CG2 4.43Å; C95-T100 VanDerWaalsContact SG-CG2 3.58Å; G98-T100 VanDerWaalsContact C-N 3.26Å; G98-T100 PolarHBondContact O-N 3.06Å; T100-T106 PolarHBondContact O-OG1 3.35Å; T100-A109 HydrophobicContact CG2-CB 4.23Å |
| 101 | Q | 77.6 | Confident | 80.4 | Confident | 166 Ų | 166 | 66.6 Ų | 66.6 | 78% | 0.776 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -82 | -14.7 | 177.9 | -61 | -63.9 | -20.5 | 0 | 0 | 112.9 | G98 L99 | G98-Q101 WeakPolarHBondContact O-CB 3.47Å; G98-Q101 PolarHBondContact O-N 3.15Å; G98-Q101 VanDerWaalsContact O-N 3.17Å; L99-Q101 PolarHBondContact O-N 3.12Å |
| 102 | Q | 80.3 | Confident | 80.6 | Confident | 127 Ų | 127 | 66 Ų | 66 | 59% | 0.593 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -83.1 | 149.1 | 177 | -64.8 | -172 | -4.7 | 0 | 0 | 111.5 | L99 G104 G105 | L99-Q102 PolarHBondContact O-N 2.93Å; Q102-G104 PolarHBondContact O-N 3.28Å; Q102-G104 VanDerWaalsContact O-N 3.11Å; Q102-G105 PolarHBondContact O-N 3.08Å |
| 103 | P | 77.1 | Confident | 80.8 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 89% | 0.89 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 118.2 | 175.4 | 23.2 | -32 | 0 | 0 | 0 | 110.5 | G105 | P103-G105 VanDerWaalsContact C-N 3.28Å; P103-G105 PolarHBondContact O-N 3.43Å |
| 104 | G | 76.1 | Confident | 80.7 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 45% | 0.454 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -5.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q102 T106 V107 V108 | Q102-G104 PolarHBondContact O-N 3.28Å; Q102-G104 VanDerWaalsContact O-N 3.11Å; G104-T106 VanDerWaalsContact C-N 3.31Å; G104-T106 PolarHBondContact O-N 3.38Å; G104-V107 WeakPolarHBondContact O-CA 3.28Å; G104-V107 VanDerWaalsContact O-CB 3.3Å; G104-V107 WeakPolarHBondContact O-CB 3.42Å; G104-V107 PolarHBondContact O-N 3.26Å; G104-V108 PolarHBondContact O-N 3.28Å; G104-V108 VanDerWaalsContact O-N 3.11Å |
| 105 | G | 79.1 | Confident | 80.9 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 7% | 0.072 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -34.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L99 Q102 P103 V107 V108 A109 | L99-G105 WeakPolarHBondContact O-CA 3.17Å; Q102-G105 PolarHBondContact O-N 3.08Å; P103-G105 VanDerWaalsContact C-N 3.28Å; P103-G105 PolarHBondContact O-N 3.43Å; G105-V107 VanDerWaalsContact C-N 3.3Å; G105-V107 PolarHBondContact O-N 3.4Å; G105-V108 PolarHBondContact O-N 3.02Å; G105-A109 WeakPolarHBondContact O-CB 3.28Å; G105-A109 PolarHBondContact O-N 3.33Å |
| 106 | T | 77.7 | Confident | 81.3 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 172.1 | -49.8 | 0 | 0 | 0 | 0 | 112.6 | Y91 T100 G104 G110 | Y91-T106 HydrophobicContact CE2-CG2 4.25Å; T100-T106 PolarHBondContact O-OG1 3.35Å; G104-T106 VanDerWaalsContact C-N 3.31Å; G104-T106 PolarHBondContact O-N 3.38Å; T106-G110 PolarHBondContact O-N 3.45Å |
| 107 | V | 78.9 | Confident | 81.5 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.1 | -47.4 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | G104 G105 G110 A111 L185 | G104-V107 WeakPolarHBondContact O-CA 3.28Å; G104-V107 VanDerWaalsContact O-CB 3.3Å; G104-V107 WeakPolarHBondContact O-CB 3.42Å; G104-V107 PolarHBondContact O-N 3.26Å; G105-V107 VanDerWaalsContact C-N 3.3Å; G105-V107 PolarHBondContact O-N 3.4Å; V107-G110 PolarHBondContact O-N 3.4Å; V107-A111 WeakPolarHBondContact O-CB 3.3Å; V107-A111 PolarHBondContact O-N 2.94Å; V107-L185 HydrophobicContact CB-CD1 4.3Å; V107-L185 HydrophobicContact CG1-CD1 3.93Å; V107-L185 HydrophobicContact CG2-CD1 4.13Å |
| 108 | V | 82.1 | Confident | 81.6 | Confident | 87 Ų | 87 | 51 Ų | 51 | 53% | 0.527 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | G104 G105 G110 A111 V112 | G104-V108 PolarHBondContact O-N 3.28Å; G104-V108 VanDerWaalsContact O-N 3.11Å; G105-V108 PolarHBondContact O-N 3.02Å; V108-G110 VanDerWaalsContact C-N 3.34Å; V108-G110 PolarHBondContact O-N 2.56Å; V108-A111 PolarHBondContact O-N 2.94Å; V108-V112 HydrophobicContact CG1-CG2 4.3Å; V108-V112 WeakPolarHBondContact O-CB 3.17Å; V108-V112 WeakPolarHBondContact O-CG2 3.36Å; V108-V112 PolarHBondContact O-N 2.92Å |
| 109 | A | 83 | Confident | 82 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y91 A94 T100 G105 A113 | Y91-A109 HydrophobicContact CD2-CB 4.33Å; Y91-A109 HydrophobicContact CE2-CB 4.44Å; A94-A109 HydrophobicContact CB-CB 3.54Å; T100-A109 HydrophobicContact CG2-CB 4.23Å; G105-A109 WeakPolarHBondContact O-CB 3.28Å; G105-A109 PolarHBondContact O-N 3.33Å; A109-A113 WeakPolarHBondContact O-CB 3.33Å; A109-A113 PolarHBondContact O-N 3.4Å |
| 110 | G | 80.5 | Confident | 82.6 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | T106 V107 V108 G114 | T106-G110 PolarHBondContact O-N 3.45Å; V107-G110 PolarHBondContact O-N 3.4Å; V108-G110 VanDerWaalsContact C-N 3.34Å; V108-G110 PolarHBondContact O-N 2.56Å; G110-G114 PolarHBondContact O-N 2.89Å |
| 111 | A | 82.3 | Confident | 83.2 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 21% | 0.207 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V107 V108 G114 A115 | V107-A111 WeakPolarHBondContact O-CB 3.3Å; V107-A111 PolarHBondContact O-N 2.94Å; V108-A111 PolarHBondContact O-N 2.94Å; A111-G114 PolarHBondContact O-N 2.82Å; A111-A115 WeakPolarHBondContact O-CB 3.46Å; A111-A115 PolarHBondContact O-N 3.41Å |
| 112 | V | 85.1 | Confident | 83.8 | Confident | 77 Ų | 77 | 44.2 Ų | 44.2 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 177.2 | 173 | 0 | 0 | 0 | 0 | 110.7 | V108 G114 A115 L116 | V108-V112 HydrophobicContact CG1-CG2 4.3Å; V108-V112 WeakPolarHBondContact O-CB 3.17Å; V108-V112 WeakPolarHBondContact O-CG2 3.36Å; V108-V112 PolarHBondContact O-N 2.92Å; V112-G114 VanDerWaalsContact C-N 3.3Å; V112-G114 PolarHBondContact O-N 3.48Å; V112-A115 PolarHBondContact O-N 3.3Å; V112-L116 HydrophobicContact CG1-CD1 4Å; V112-L116 HydrophobicContact CG1-CG 4.49Å; V112-L116 WeakPolarHBondContact O-CG 3.05Å; V112-L116 PolarHBondContact O-N 3.17Å |
| 113 | A | 85.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R87 C90 A109 G117 | R87-A113 HydrophobicContact CG-CB 4Å; R87-A113 WeakPolarHBondContact O-CB 3.38Å; C90-A113 HydrophobicContact CB-CB 3.68Å; A109-A113 WeakPolarHBondContact O-CB 3.33Å; A109-A113 PolarHBondContact O-N 3.4Å; A113-G117 PolarHBondContact O-N 3.31Å |
| 114 | G | 83.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | G110 A111 V112 G117 A118 | G110-G114 PolarHBondContact O-N 2.89Å; A111-G114 PolarHBondContact O-N 2.82Å; V112-G114 VanDerWaalsContact C-N 3.3Å; V112-G114 PolarHBondContact O-N 3.48Å; G114-G117 PolarHBondContact O-N 3.02Å; G114-A118 WeakPolarHBondContact O-CB 3.18Å; G114-A118 PolarHBondContact O-N 3.46Å |
| 115 | A | 86.9 | Confident | 85.4 | Confident | 21 Ų | 21 | 31.5 Ų | 31.5 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A111 V112 A118 F119 V174 | A111-A115 WeakPolarHBondContact O-CB 3.46Å; A111-A115 PolarHBondContact O-N 3.41Å; V112-A115 PolarHBondContact O-N 3.3Å; A115-A118 PolarHBondContact O-N 2.97Å; A115-F119 WeakPolarHBondContact O-CB 3.4Å; A115-F119 PolarHBondContact O-N 3.14Å; A115-V174 HydrophobicContact CB-CG1 3.84Å |
| 116 | L | 88.9 | Confident | 85.9 | Confident | 79 Ų | 79 | 31.1 Ų | 31.1 | 41% | 0.414 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 175 | -69.8 | 173 | 0 | 0 | 0 | 111.6 | V86 C90 V112 A118 F119 V120 | V86-L116 HydrophobicContact CG1-CB 4.05Å; C90-L116 HydrophobicContact CB-CD1 4.49Å; C90-L116 VanDerWaalsContact SG-CD1 3.57Å; V112-L116 HydrophobicContact CG1-CD1 4Å; V112-L116 HydrophobicContact CG1-CG 4.49Å; V112-L116 WeakPolarHBondContact O-CG 3.05Å; V112-L116 PolarHBondContact O-N 3.17Å; L116-A118 PolarHBondContact O-N 3.49Å; L116-F119 PolarHBondContact O-N 2.87Å; L116-V120 WeakPolarHBondContact O-CG2 3.35Å; L116-V120 PolarHBondContact O-N 3.07Å |
| 117 | G | 88.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A113 G114 G121 | A113-G117 PolarHBondContact O-N 3.31Å; G114-G117 PolarHBondContact O-N 3.02Å; G117-G121 PolarHBondContact O-N 2.64Å |
| 118 | A | 86.5 | Confident | 87 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G114 A115 L116 S122 V174 V177 | G114-A118 WeakPolarHBondContact O-CB 3.18Å; G114-A118 PolarHBondContact O-N 3.46Å; A115-A118 PolarHBondContact O-N 2.97Å; L116-A118 PolarHBondContact O-N 3.49Å; A118-S122 WeakPolarHBondContact O-CA 3.36Å; A118-S122 WeakPolarHBondContact O-CB 3.39Å; A118-S122 PolarHBondContact O-N 2.9Å; A118-V174 HydrophobicContact CB-CG2 4.38Å; A118-V177 HydrophobicContact CB-CB 4.47Å; A118-V177 HydrophobicContact CB-CG2 3.97Å |
| 119 | F | 89.9 | Confident | 87.2 | Confident | 98 Ų | 98 | 21.3 Ų | 21.3 | 43% | 0.43 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.1 | -50.8 | 176.3 | -177.2 | -94 | 0 | 0 | 0 | 111.5 | A115 L116 G121 S122 W167 V170 | A115-F119 WeakPolarHBondContact O-CB 3.4Å; A115-F119 PolarHBondContact O-N 3.14Å; L116-F119 PolarHBondContact O-N 2.87Å; F119-G121 VanDerWaalsContact C-N 3.34Å; F119-G121 PolarHBondContact O-N 3.17Å; F119-S122 VanDerWaalsContact O-CB 3.31Å; F119-S122 WeakPolarHBondContact O-CB 3.21Å; F119-S122 PolarHBondContact O-N 2.85Å; F119-W167 AromaticContact CD1-NE1 3.77Å; F119-W167 AromaticContact CD2-CD1 3.76Å; F119-W167 AromaticContact CD2-NE1 3.89Å; F119-W167 AromaticContact CE1-NE1 3.55Å; F119-W167 AromaticContact CE2-CD1 3.46Å; F119-W167 VanDerWaalsContact CE2-CD1 3.46Å; F119-W167 HydrophobicContact CE2-CG 4.33Å; F119-W167 AromaticContact CE2-NE1 3.67Å; F119-W167 AromaticContact CG-NE1 3.92Å; F119-W167 AromaticContact CZ-CD1 3.71Å; F119-W167 HydrophobicContact CZ-CG 4.43Å; F119-W167 AromaticContact CZ-NE1 3.49Å; F119-W167 PolarHBondContact O-NE1 3.36Å; F119-V170 HydrophobicContact CD2-CG2 3.82Å |
| 120 | V | 90 | Very high | 87.4 | Confident | 60 Ų | 60 | 21 Ų | 21 | 36% | 0.364 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 178.8 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | V86 L116 S122 P123 | V86-V120 HydrophobicContact CG1-CG2 4.31Å; V86-V120 HydrophobicContact CG2-CB 3.91Å; V86-V120 HydrophobicContact CG2-CG1 3.81Å; V86-V120 HydrophobicContact CG2-CG2 4.02Å; L116-V120 WeakPolarHBondContact O-CG2 3.35Å; L116-V120 PolarHBondContact O-N 3.07Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 2.84Å; V120-P123 WeakPolarHBondContact O-CD 3.5Å |
| 121 | G | 87.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -76.4 | -11.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y79 G117 F119 P123 A124 Y125 | Y79-G121 WeakPolarHBondContact CD2-O 3.46Å; G117-G121 PolarHBondContact O-N 2.64Å; F119-G121 VanDerWaalsContact C-N 3.34Å; F119-G121 PolarHBondContact O-N 3.17Å; G121-P123 VanDerWaalsContact C-CD 3.48Å; G121-A124 PolarHBondContact O-N 2.95Å; G121-A124 VanDerWaalsContact O-N 3.1Å; G121-Y125 PolarHBondContact O-N 2.73Å |
| 122 | S | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -53.4 | -43.7 | -173.1 | -174.8 | 0 | 0 | 0 | 0 | 113.9 | A118 F119 V120 A124 Y125 L126 Y235 | A118-S122 WeakPolarHBondContact O-CA 3.36Å; A118-S122 WeakPolarHBondContact O-CB 3.39Å; A118-S122 PolarHBondContact O-N 2.9Å; F119-S122 VanDerWaalsContact O-CB 3.31Å; F119-S122 WeakPolarHBondContact O-CB 3.21Å; F119-S122 PolarHBondContact O-N 2.85Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 2.84Å; S122-A124 PolarHBondContact O-N 2.79Å; S122-Y125 PolarHBondContact O-N 3.03Å; S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 2.95Å; S122-Y235 PolarHBondContact OG-OH 3.24Å |
| 123 | P | 89.4 | Confident | 87.8 | Confident | 21 Ų | 21 | 15.9 Ų | 15.9 | 14% | 0.136 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 178.3 | -25.3 | 36.3 | 0 | 0 | 0 | 113.2 | V120 G121 Y125 L126 I127 L166 W167 | V120-P123 WeakPolarHBondContact O-CD 3.5Å; G121-P123 VanDerWaalsContact C-CD 3.48Å; P123-Y125 VanDerWaalsContact C-N 3.33Å; P123-L126 PolarHBondContact O-N 3.4Å; P123-I127 WeakPolarHBondContact O-CG1 3.39Å; P123-I127 PolarHBondContact O-N 3.19Å; P123-I127 VanDerWaalsContact O-N 3.12Å; P123-L166 WeakPolarHBondContact CA-O 3.5Å; P123-L166 HydrophobicContact CB-CB 4Å; P123-L166 HydrophobicContact CB-CD2 4.44Å; P123-L166 HydrophobicContact CG-CB 3.98Å; P123-W167 HydrophobicContact CG-CD2 4.36Å; P123-W167 HydrophobicContact CG-CE3 4.45Å; P123-W167 HydrophobicContact CG-CH2 4.04Å; P123-W167 HydrophobicContact CG-CZ2 3.92Å; P123-W167 HydrophobicContact CG-CZ3 4.3Å |
| 124 | A | 90.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 17 Ų | 17 | 2% | 0.017 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68 | -36.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L78 L82 G121 S122 K128 | L78-A124 HydrophobicContact CB-CB 4.33Å; L78-A124 HydrophobicContact CD2-CB 3.98Å; L78-A124 HydrophobicContact CG-CB 4Å; L82-A124 HydrophobicContact CD1-CB 4.28Å; G121-A124 PolarHBondContact O-N 2.95Å; G121-A124 VanDerWaalsContact O-N 3.1Å; S122-A124 PolarHBondContact O-N 2.79Å; A124-K128 VanDerWaalsContact O-CB 3.25Å; A124-K128 WeakPolarHBondContact O-CB 3.39Å; A124-K128 PolarHBondContact O-N 3.48Å |
| 125 | Y | 88.3 | Confident | 87 | Confident | 17 Ų | 17 | 17.8 Ų | 17.8 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.6 | -42.4 | 175.8 | -165.7 | -99.8 | 0 | 0 | 0 | 112.3 | Y79 G121 S122 P123 K128 T129 R176 Y235 | Y79-Y125 HydrophobicContact CD1-CD2 4.41Å; Y79-Y125 HydrophobicContact CD2-CD2 4.15Å; Y79-Y125 HydrophobicContact CD2-CG 4.38Å; Y79-Y125 HydrophobicContact CE1-CD2 4.27Å; Y79-Y125 AromaticContact CE2-CD2 3.98Å; Y79-Y125 HydrophobicContact CE2-CD2 3.98Å; Y79-Y125 HydrophobicContact CE2-CG 4.19Å; Y79-Y125 HydrophobicContact CG-CD2 4.34Å; G121-Y125 PolarHBondContact O-N 2.73Å; S122-Y125 PolarHBondContact O-N 3.03Å; P123-Y125 VanDerWaalsContact C-N 3.33Å; Y125-K128 HydrophobicContact CD2-CD 4.37Å; Y125-K128 HydrophobicContact CE2-CD 4.46Å; Y125-K128 WeakPolarHBondContact O-CB 3.46Å; Y125-K128 PolarHBondContact O-N 3.44Å; Y125-T129 HydrophobicContact CD1-CG2 3.91Å; Y125-T129 HydrophobicContact CE1-CG2 3.46Å; Y125-T129 VanDerWaalsContact CE1-CG2 3.46Å; Y125-T129 HydrophobicContact CE2-CG2 4.38Å; Y125-T129 WeakPolarHBondContact O-CG2 3.43Å; Y125-T129 PolarHBondContact O-N 3.35Å; Y125-T129 PolarHBondContact O-OG1 3.41Å; Y125-R176 VanDerWaalsContact CZ-NH1 3.34Å; Y125-R176 PolarHBondContact OH-NH1 2.95Å; Y125-Y235 HydrophobicContact CD1-CD1 4.41Å; Y125-Y235 AromaticContact CD1-CD2 3.57Å; Y125-Y235 HydrophobicContact CD1-CD2 3.57Å; Y125-Y235 HydrophobicContact CD1-CE1 4.16Å; Y125-Y235 AromaticContact CD1-CE2 3.3Å; Y125-Y235 HydrophobicContact CD1-CE2 3.3Å; Y125-Y235 HydrophobicContact CD1-CG 4.16Å; Y125-Y235 AromaticContact CD1-CZ 3.64Å; Y125-Y235 AromaticContact CE1-CD2 3.57Å; Y125-Y235 HydrophobicContact CE1-CD2 3.57Å; Y125-Y235 AromaticContact CE1-CE2 3.59Å; Y125-Y235 HydrophobicContact CE1-CE2 3.59Å; Y125-Y235 HydrophobicContact CE1-CG 4.39Å |
| 126 | L | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.9 | -56.3 | 173.7 | 174.4 | 69.1 | 0 | 0 | 0 | 110.4 | S122 P123 K128 T129 Q130 I157 G165 Q168 Y235 | S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 2.95Å; P123-L126 PolarHBondContact O-N 3.4Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.2Å; L126-T129 PolarHBondContact O-N 2.83Å; L126-T129 VanDerWaalsContact O-N 3.14Å; L126-T129 PolarHBondContact O-OG1 3.19Å; L126-Q130 HydrophobicContact CD1-CG 4.46Å; L126-Q130 WeakPolarHBondContact O-CG 3.2Å; L126-Q130 PolarHBondContact O-N 2.98Å; L126-I157 HydrophobicContact CD2-CD1 4Å; L126-I157 HydrophobicContact CD2-CG2 4.5Å; L126-I157 HydrophobicContact CG-CD1 4.41Å; L126-G165 WeakPolarHBondContact CD2-O 3.31Å; L126-Q168 HydrophobicContact CD1-CB 4.47Å; L126-Y235 HydrophobicContact CB-CD1 3.65Å; L126-Y235 HydrophobicContact CB-CE1 3.88Å; L126-Y235 HydrophobicContact CD1-CD1 3.59Å; L126-Y235 HydrophobicContact CD1-CE1 4.46Å; L126-Y235 HydrophobicContact CD1-CG 4.41Å; L126-Y235 WeakPolarHBondContact CD1-O 3.41Å; L126-Y235 HydrophobicContact CG-CD1 4.21Å |
| 127 | I | 88.6 | Confident | 85.1 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | -179.4 | -64.8 | 162 | 0 | 0 | 0 | 110.9 | A75 P123 Q130 L131 V150 A153 L154 I157 | A75-I127 HydrophobicContact CB-CB 4.44Å; A75-I127 HydrophobicContact CB-CG2 4.13Å; P123-I127 WeakPolarHBondContact O-CG1 3.39Å; P123-I127 PolarHBondContact O-N 3.19Å; P123-I127 VanDerWaalsContact O-N 3.12Å; I127-Q130 PolarHBondContact O-N 3.47Å; I127-L131 HydrophobicContact CG2-CD1 3.71Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CB 3.21Å; I127-L131 VanDerWaalsContact O-CG 3.27Å; I127-L131 WeakPolarHBondContact O-CG 3.16Å; I127-L131 PolarHBondContact O-N 3.35Å; I127-V150 HydrophobicContact CD1-CG1 4.34Å; I127-V150 HydrophobicContact CG2-CB 4.3Å; I127-V150 HydrophobicContact CG2-CG1 3.96Å; I127-V150 HydrophobicContact CG2-CG2 4.38Å; I127-A153 HydrophobicContact CG1-CB 4.14Å; I127-A153 HydrophobicContact CG2-CB 3.74Å; I127-L154 HydrophobicContact CD1-CB 3.97Å; I127-L154 HydrophobicContact CD1-CD1 4.14Å; I127-I157 HydrophobicContact CG1-CD1 4.22Å |
| 128 | K | 89.9 | Confident | 83.7 | Confident | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.1 | -52.7 | 174.6 | 178.2 | -170.7 | -175.5 | 169 | 0 | 111.2 | E28 A75 A124 Y125 L126 Q130 L131 Q132 | E28-K128 IonicContact OE1-NZ 2.77Å; E28-K128 WeakPolarHBondContact OE2-CE 3.28Å; E28-K128 IonicContact OE2-NZ 3.79Å; E28-K128 PolarHBondContact OE2-NZ 3.18Å; A75-K128 HydrophobicContact CB-CB 3.77Å; A124-K128 VanDerWaalsContact O-CB 3.25Å; A124-K128 WeakPolarHBondContact O-CB 3.39Å; A124-K128 PolarHBondContact O-N 3.48Å; Y125-K128 HydrophobicContact CD2-CD 4.37Å; Y125-K128 HydrophobicContact CE2-CD 4.46Å; Y125-K128 WeakPolarHBondContact O-CB 3.46Å; Y125-K128 PolarHBondContact O-N 3.44Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.2Å; K128-Q130 PolarHBondContact O-N 3.05Å; K128-L131 PolarHBondContact O-N 3.15Å; K128-Q132 HydrophobicContact CG-CG 4.33Å; K128-Q132 WeakPolarHBondContact O-CB 3.41Å; K128-Q132 WeakPolarHBondContact O-CG 3.22Å; K128-Q132 PolarHBondContact O-N 3.28Å |
| 129 | T | 86.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | -177.2 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | Y125 L126 Q132 A133 Y235 | Y125-T129 HydrophobicContact CD1-CG2 3.91Å; Y125-T129 HydrophobicContact CE1-CG2 3.46Å; Y125-T129 VanDerWaalsContact CE1-CG2 3.46Å; Y125-T129 HydrophobicContact CE2-CG2 4.38Å; Y125-T129 WeakPolarHBondContact O-CG2 3.43Å; Y125-T129 PolarHBondContact O-N 3.35Å; Y125-T129 PolarHBondContact O-OG1 3.41Å; L126-T129 PolarHBondContact O-N 2.83Å; L126-T129 VanDerWaalsContact O-N 3.14Å; L126-T129 PolarHBondContact O-OG1 3.19Å; T129-Q132 PolarHBondContact O-N 3.15Å; T129-A133 WeakPolarHBondContact O-CB 3.47Å; T129-A133 PolarHBondContact O-N 2.95Å; T129-Y235 WeakPolarHBondContact OG1-CB 3.18Å |
| 130 | Q | 88.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 177.5 | -68 | -178.8 | -7.9 | 0 | 0 | 111.9 | L126 I127 K128 Q132 A133 Q134 H145 | L126-Q130 HydrophobicContact CD1-CG 4.46Å; L126-Q130 WeakPolarHBondContact O-CG 3.2Å; L126-Q130 PolarHBondContact O-N 2.98Å; I127-Q130 PolarHBondContact O-N 3.47Å; K128-Q130 PolarHBondContact O-N 3.05Å; Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 3.31Å; Q130-A133 PolarHBondContact O-N 3.42Å; Q130-Q134 WeakPolarHBondContact O-CG 3.13Å; Q130-Q134 PolarHBondContact O-N 3.5Å; Q130-H145 HydrophobicContact CB-CB 4.37Å |
| 131 | L | 85.7 | Confident | 80.5 | Confident | 13 Ų | 13 | 21.9 Ų | 21.9 | 7% | 0.068 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | 176.7 | -69.8 | 174.3 | 0 | 0 | 0 | 112.6 | I127 K128 Q134 H147 V150 | I127-L131 HydrophobicContact CG2-CD1 3.71Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CB 3.21Å; I127-L131 VanDerWaalsContact O-CG 3.27Å; I127-L131 WeakPolarHBondContact O-CG 3.16Å; I127-L131 PolarHBondContact O-N 3.35Å; K128-L131 PolarHBondContact O-N 3.15Å; L131-Q134 PolarHBondContact O-N 2.89Å; L131-H147 HydrophobicContact CD2-CB 4.21Å; L131-H147 WeakPolarHBondContact CD2-O 3.3Å; L131-V150 HydrophobicContact CD1-CG2 3.92Å |
| 132 | Q | 85.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.7 | -30.8 | 177.7 | -71.9 | -174.5 | -23 | 0 | 0 | 112.7 | N25 V29 T32 R33 K71 K128 T129 Q130 Q134 | N25-Q132 PolarHBondContact OD1-NE2 3.45Å; V29-Q132 HydrophobicContact CG2-CB 4.41Å; V29-Q132 HydrophobicContact CG2-CG 3.95Å; T32-Q132 HydrophobicContact CG2-CB 3.97Å; T32-Q132 PolarHBondContact OG1-OE1 3.35Å; T32-Q132 VanDerWaalsContact OG1-OE1 3.04Å; R33-Q132 PolarHBondContact NE-O 2.91Å; R33-Q132 VanDerWaalsContact NE-O 3.09Å; K71-Q132 WeakPolarHBondContact O-CG 3.35Å; K128-Q132 HydrophobicContact CG-CG 4.33Å; K128-Q132 WeakPolarHBondContact O-CB 3.41Å; K128-Q132 WeakPolarHBondContact O-CG 3.22Å; K128-Q132 PolarHBondContact O-N 3.28Å; T129-Q132 PolarHBondContact O-N 3.15Å; Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 3.31Å; Q132-Q134 VanDerWaalsContact C-N 3.29Å |
| 133 | A | 83.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.7 | -25.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L36 T129 Q130 T135 Q144 N236 | L36-A133 HydrophobicContact CD1-CB 3.43Å; L36-A133 VanDerWaalsContact CD1-CB 3.43Å; T129-A133 WeakPolarHBondContact O-CB 3.47Å; T129-A133 PolarHBondContact O-N 2.95Å; Q130-A133 PolarHBondContact O-N 3.42Å; A133-T135 PolarHBondContact O-N 2.92Å; A133-Q144 PolarHBondContact O-NE2 3.15Å; A133-N236 WeakPolarHBondContact CB-OD1 3.47Å |
| 134 | Q | 79.3 | Confident | 77.9 | Confident | 25 Ų | 25 | 29 Ų | 29 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | trans | -65.7 | 126.7 | -177.5 | -75.2 | 170.6 | 12.7 | 0 | 0 | 113.9 | R33 K71 Q130 L131 Q132 H145 H147 | R33-Q134 PolarHBondContact NH2-O 2.96Å; K71-Q134 PolarHBondContact NZ-O 3.41Å; Q130-Q134 WeakPolarHBondContact O-CG 3.13Å; Q130-Q134 PolarHBondContact O-N 3.5Å; L131-Q134 PolarHBondContact O-N 2.89Å; Q132-Q134 VanDerWaalsContact C-N 3.29Å; Q134-H145 VanDerWaalsContact CG-O 3.22Å; Q134-H145 WeakPolarHBondContact CG-O 3.46Å; Q134-H145 PolarHBondContact NE2-O 3.04Å; Q134-H147 VanDerWaalsContact NE2-N 3.1Å; Q134-H147 PolarHBondContact NE2-O 3.02Å; Q134-H147 PolarHBondContact OE1-O 3.4Å; Q134-H147 VanDerWaalsContact OE1-O 3.06Å | ||
| 135 | T | 75.1 | Confident | 77.1 | Confident | 18 Ų | 18 | 29.9 Ų | 29.9 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | trans | -153.6 | 175.7 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | R33 D64 A133 M139 A140 Q144 | R33-T135 PolarHBondContact NH1-OG1 3.42Å; D64-T135 VanDerWaalsContact CG-OG1 3.31Å; D64-T135 PolarHBondContact OD1-OG1 2.73Å; D64-T135 WeakPolarHBondContact OD2-CB 3.48Å; D64-T135 PolarHBondContact OD2-OG1 3.16Å; A133-T135 PolarHBondContact O-N 2.92Å; T135-M139 VanDerWaalsContact CG2-C 3.43Å; T135-M139 HydrophobicContact CG2-CB 4.05Å; T135-M139 WeakPolarHBondContact CG2-O 3.35Å; T135-A140 HydrophobicContact CG2-CB 4.46Å; T135-Q144 PolarHBondContact O-OE1 2.85Å | ||
| 136 | V | 69.1 | Low | 76.2 | Confident | 78 Ų | 78 | 36.3 Ų | 36.3 | 47% | 0.473 | 23% | 0.229 | S | C | . | . | trans | -58.5 | 142.7 | 176 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | V63 A138 M139 A140 | V63-V136 HydrophobicContact CG1-CB 4.05Å; V63-V136 HydrophobicContact CG1-CG2 3.86Å; V136-A138 PolarHBondContact O-N 3.28Å; V136-M139 CarbonylContact O-C 3.58Å; V136-M139 PolarHBondContact O-N 3.16Å; V136-A140 PolarHBondContact O-N 2.98Å | ||
| 137 | A | 66.7 | Low | 75.4 | Confident | 93 Ų | 93 | 37 Ų | 37 | 77% | 0.769 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -50.1 | -33.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M139 A140 | A137-M139 PolarHBondContact O-N 2.94Å; A137-A140 WeakPolarHBondContact O-CB 3.17Å; A137-A140 PolarHBondContact O-N 3.1Å |
| 138 | A | 57.1 | Low | 74.5 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 78% | 0.777 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -66.1 | -21.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V136 | V136-A138 PolarHBondContact O-N 3.28Š|
| 139 | M | 66.4 | Low | 74.1 | Confident | 28 Ų | 28 | 48.9 Ų | 48.9 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -117.9 | 6.7 | 179.2 | -64.3 | -72.2 | -72.6 | 0 | 0 | 111.8 | P49 Y50 A59 V63 T135 V136 A137 V141 | P49-M139 HydrophobicContact CB-CE 3.44Å; P49-M139 VanDerWaalsContact CB-CE 3.44Å; P49-M139 HydrophobicContact CB-SD 3.32Å; P49-M139 WeakPolarHBondContact CB-SD 3.39Å; Y50-M139 HydrophobicContact CD1-CE 4.16Å; Y50-M139 HydrophobicContact CE1-CE 3.59Å; Y50-M139 PolarHBondContact OH-O 3.47Å; A59-M139 HydrophobicContact CB-CE 3.92Å; V63-M139 HydrophobicContact CG1-CG 4.18Å; V63-M139 HydrophobicContact CG2-CG 4.25Å; T135-M139 VanDerWaalsContact CG2-C 3.43Å; T135-M139 HydrophobicContact CG2-CB 4.05Å; T135-M139 WeakPolarHBondContact CG2-O 3.35Å; V136-M139 CarbonylContact O-C 3.58Å; V136-M139 PolarHBondContact O-N 3.16Å; A137-M139 PolarHBondContact O-N 2.94Å; M139-V141 PolarHBondContact O-N 2.85Å |
| 140 | A | 66.5 | Low | 73.9 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 34% | 0.339 | 30% | 0.304 | S | S | . | . | trans | -64 | 134.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T135 V136 A137 Q144 | T135-A140 HydrophobicContact CG2-CB 4.46Å; V136-A140 PolarHBondContact O-N 2.98Å; A137-A140 WeakPolarHBondContact O-CB 3.17Å; A137-A140 PolarHBondContact O-N 3.1Å; A140-Q144 HydrophobicContact CB-CG 3.69Å | ||
| 141 | V | 66.4 | Low | 73.7 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | trans | -138.2 | 137 | -176.3 | 169.1 | 0 | 0 | 0 | 0 | 108.7 | L36 Q37 P49 Y50 M139 Q144 | L36-V141 HydrophobicContact CB-CG1 3.6Å; L36-V141 WeakPolarHBondContact O-CG1 3.45Å; Q37-V141 HydrophobicContact CB-CG1 3.9Å; Q37-V141 HydrophobicContact CB-CG2 4.49Å; Q37-V141 HydrophobicContact CG-CG1 4.41Å; Q37-V141 HydrophobicContact CG-CG2 4.25Å; P49-V141 HydrophobicContact CG-CG2 4.01Å; Y50-V141 HydrophobicContact CD2-CG2 4.08Å; Y50-V141 HydrophobicContact CE2-CG2 3.79Å; M139-V141 PolarHBondContact O-N 2.85Å; V141-Q144 PolarHBondContact O-NE2 3.43Å | ||
| 142 | G | 66.1 | Low | 73.7 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 63 | -173.8 | -169 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 143 | H | 72.2 | Confident | 73.5 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 38% | 0.375 | 34% | 0.344 | S | S | . | . | trans | -68.1 | 132.5 | 174 | -167.4 | 79.7 | 0 | 0 | 0 | 111.2 | H145 N236 P238 | H143-H145 AromaticContact CD2-CD2 3.87Å; H143-H145 AromaticContact CD2-CE1 3.5Å; H143-H145 PolarHBondContact CD2-CE1 3.34Å; H143-H145 VanDerWaalsContact CD2-CE1 3.5Å; H143-H145 AromaticContact CD2-ND1 3.82Å; H143-H145 AromaticContact CD2-NE2 3.52Å; H143-N236 PolarHBondContact N-ND2 2.93Å; H143-N236 VanDerWaalsContact N-ND2 3.18Å; H143-N236 PolarHBondContact O-ND2 3.33Å; H143-N236 PolarHBondContact O-OD1 3.42Å; H143-P238 HydrophobicContact CB-CG 4.49Å | ||
| 144 | Q | 74.5 | Confident | 73.6 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | trans | -99.1 | 100.9 | -179 | -64.1 | -70.9 | -56.7 | 0 | 0 | 109.6 | A133 T135 A140 V141 | A133-Q144 PolarHBondContact O-NE2 3.15Å; T135-Q144 PolarHBondContact O-OE1 2.85Å; A140-Q144 HydrophobicContact CB-CG 3.69Å; V141-Q144 PolarHBondContact O-NE2 3.43Å | ||
| 145 | H | 72.8 | Confident | 73.9 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | trans | -77.3 | 125.6 | 172 | -63.5 | -84.5 | 0 | 0 | 0 | 108.8 | Q130 Q134 H143 H147 N236 | Q130-H145 HydrophobicContact CB-CB 4.37Å; Q134-H145 VanDerWaalsContact CG-O 3.22Å; Q134-H145 WeakPolarHBondContact CG-O 3.46Å; Q134-H145 PolarHBondContact NE2-O 3.04Å; H143-H145 AromaticContact CD2-CD2 3.87Å; H143-H145 AromaticContact CD2-CE1 3.5Å; H143-H145 PolarHBondContact CD2-CE1 3.34Å; H143-H145 VanDerWaalsContact CD2-CE1 3.5Å; H143-H145 AromaticContact CD2-ND1 3.82Å; H143-H145 AromaticContact CD2-NE2 3.52Å; H145-H147 VanDerWaalsContact C-N 3.34Å; H145-H147 PolarHBondContact O-N 3.4Å; H145-H147 VanDerWaalsContact O-N 3.09Å; H145-N236 PolarHBondContact NE2-O 3.37Å | ||
| 146 | N | 71.1 | Confident | 74.3 | Confident | 152 Ų | 152 | 64.9 Ų | 64.9 | 81% | 0.813 | 38% | 0.383 | S | S | * | . | trans | -89.7 | 64.3 | -173.7 | -153.9 | 16 | 0 | 0 | 0 | 112.2 | ||||
| 147 | H | 72.6 | Confident | 75 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 7% | 0.069 | 36% | 0.361 | C | S | . | . | trans | -105.6 | 124.7 | 179.2 | -55.1 | -52.9 | 0 | 0 | 0 | 111.3 | L131 Q134 H145 A153 T156 | L131-H147 HydrophobicContact CD2-CB 4.21Å; L131-H147 WeakPolarHBondContact CD2-O 3.3Å; Q134-H147 VanDerWaalsContact NE2-N 3.1Å; Q134-H147 PolarHBondContact NE2-O 3.02Å; Q134-H147 PolarHBondContact OE1-O 3.4Å; Q134-H147 VanDerWaalsContact OE1-O 3.06Å; H145-H147 VanDerWaalsContact C-N 3.34Å; H145-H147 PolarHBondContact O-N 3.4Å; H145-H147 VanDerWaalsContact O-N 3.09Å; H147-A153 HydrophobicContact CB-CB 3.69Å; H147-T156 VanDerWaalsContact CE1-CB 3.46Å; H147-T156 WeakPolarHBondContact CE1-CB 3.32Å | ||
| 148 | Q | 69.5 | Low | 75.9 | Confident | 184 Ų | 184 | 63.2 Ų | 63.2 | 86% | 0.86 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -86.4 | -27.8 | -179.8 | -64.4 | -175.7 | -0.6 | 0 | 0 | 113.5 | ||
| 149 | T | 81.9 | Confident | 77.1 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -135.6 | 158.5 | -174.3 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | L151 G152 A153 | T149-L151 VanDerWaalsContact C-N 3.33Å; T149-L151 PolarHBondContact O-N 3.01Å; T149-G152 PolarHBondContact O-N 3.46Å; T149-G152 PolarHBondContact OG1-N 3.32Å; T149-A153 WeakPolarHBondContact O-CB 3.4Å; T149-A153 PolarHBondContact O-N 3.41Å |
| 150 | V | 82.5 | Confident | 77.8 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 177.2 | 179 | 0 | 0 | 0 | 0 | 111.2 | A74 A75 I127 L131 A153 L154 | A74-V150 HydrophobicContact CB-CG2 4.02Å; A75-V150 HydrophobicContact CB-CG1 4.42Å; A75-V150 HydrophobicContact CB-CG2 4.03Å; I127-V150 HydrophobicContact CD1-CG1 4.34Å; I127-V150 HydrophobicContact CG2-CB 4.3Å; I127-V150 HydrophobicContact CG2-CG1 3.96Å; I127-V150 HydrophobicContact CG2-CG2 4.38Å; L131-V150 HydrophobicContact CD1-CG2 3.92Å; V150-A153 PolarHBondContact O-N 2.82Å; V150-L154 WeakPolarHBondContact O-CB 3.31Å; V150-L154 PolarHBondContact O-N 3.44Å |
| 151 | L | 84.2 | Confident | 78.4 | Confident | 134 Ų | 134 | 71.7 Ų | 71.7 | 70% | 0.702 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.9 | -40.4 | 178 | -67 | 174.1 | 0 | 0 | 0 | 111.9 | T149 A153 L154 E155 | T149-L151 VanDerWaalsContact C-N 3.33Å; T149-L151 PolarHBondContact O-N 3.01Å; L151-A153 VanDerWaalsContact C-N 3.34Å; L151-A153 PolarHBondContact O-N 3.42Å; L151-L154 PolarHBondContact O-N 2.93Å; L151-E155 WeakPolarHBondContact O-CB 3.47Å; L151-E155 PolarHBondContact O-N 3.1Å |
| 152 | G | 84.2 | Confident | 79.1 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | T149 T156 | T149-G152 PolarHBondContact O-N 3.46Å; T149-G152 PolarHBondContact OG1-N 3.32Å; G152-T156 VanDerWaalsContact O-CB 3.31Å; G152-T156 WeakPolarHBondContact O-CB 3.32Å; G152-T156 PolarHBondContact O-N 2.91Å; G152-T156 PolarHBondContact O-OG1 3.27Å |
| 153 | A | 82.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I127 H147 T149 V150 L151 E155 T156 I157 | I127-A153 HydrophobicContact CG1-CB 4.14Å; I127-A153 HydrophobicContact CG2-CB 3.74Å; H147-A153 HydrophobicContact CB-CB 3.69Å; T149-A153 WeakPolarHBondContact O-CB 3.4Å; T149-A153 PolarHBondContact O-N 3.41Å; V150-A153 PolarHBondContact O-N 2.82Å; L151-A153 VanDerWaalsContact C-N 3.34Å; L151-A153 PolarHBondContact O-N 3.42Å; A153-E155 PolarHBondContact O-N 2.98Å; A153-T156 PolarHBondContact O-N 3.28Å; A153-I157 WeakPolarHBondContact O-CB 3.32Å; A153-I157 WeakPolarHBondContact O-CD1 3.38Å; A153-I157 WeakPolarHBondContact O-CG1 3.47Å; A153-I157 PolarHBondContact O-N 2.96Å |
| 154 | L | 84.9 | Confident | 80.2 | Confident | 64 Ų | 64 | 78.6 Ų | 78.6 | 34% | 0.335 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 178.2 | -177.5 | 66.6 | 0 | 0 | 0 | 111.6 | I127 V150 L151 W158 L166 | I127-L154 HydrophobicContact CD1-CB 3.97Å; I127-L154 HydrophobicContact CD1-CD1 4.14Å; V150-L154 WeakPolarHBondContact O-CB 3.31Å; V150-L154 PolarHBondContact O-N 3.44Å; L151-L154 PolarHBondContact O-N 2.93Å; L154-W158 WeakPolarHBondContact O-CB 3.24Å; L154-W158 PolarHBondContact O-N 3.34Å; L154-L166 HydrophobicContact CD1-CD1 3.79Å; L154-L166 HydrophobicContact CD1-CD2 3.54Å; L154-L166 HydrophobicContact CD1-CG 4.34Å |
| 155 | E | 85.7 | Confident | 80.4 | Confident | 99 Ų | 99 | 76 Ų | 76 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 178.9 | -178.1 | 176.2 | -170.9 | 0 | 0 | 111.9 | L151 A153 W158 R159 | L151-E155 WeakPolarHBondContact O-CB 3.47Å; L151-E155 PolarHBondContact O-N 3.1Å; A153-E155 PolarHBondContact O-N 2.98Å; E155-W158 PolarHBondContact O-N 3.24Å; E155-R159 HydrophobicContact CG-CG 4.37Å; E155-R159 WeakPolarHBondContact O-CB 3.31Å; E155-R159 VanDerWaalsContact O-CG 3.31Å; E155-R159 WeakPolarHBondContact O-CG 3.39Å; E155-R159 PolarHBondContact O-N 3.46Å; E155-R159 IonicContact OE1-CZ 3.12Å; E155-R159 IonicContact OE1-NE 2.64Å; E155-R159 PolarHBondContact OE1-NE 3.32Å; E155-R159 IonicContact OE1-NH2 3.6Å; E155-R159 PolarHBondContact OE1-NH2 2.96Å |
| 156 | T | 83.8 | Confident | 80.9 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -46 | -179.3 | -53.7 | 0 | 0 | 0 | 0 | 111 | H147 G152 A153 W158 R159 Q160 | H147-T156 VanDerWaalsContact CE1-CB 3.46Å; H147-T156 WeakPolarHBondContact CE1-CB 3.32Å; G152-T156 VanDerWaalsContact O-CB 3.31Å; G152-T156 WeakPolarHBondContact O-CB 3.32Å; G152-T156 PolarHBondContact O-N 2.91Å; G152-T156 PolarHBondContact O-OG1 3.27Å; A153-T156 PolarHBondContact O-N 3.28Å; T156-W158 VanDerWaalsContact C-N 3.34Å; T156-W158 PolarHBondContact O-N 3.27Å; T156-R159 PolarHBondContact O-N 3.42Å; T156-Q160 HydrophobicContact CG2-CG 4.25Å; T156-Q160 VanDerWaalsContact O-CB 3.31Å; T156-Q160 WeakPolarHBondContact O-CB 3.31Å; T156-Q160 VanDerWaalsContact O-CG 3.28Å; T156-Q160 WeakPolarHBondContact O-CG 3.39Å; T156-Q160 PolarHBondContact O-N 3.37Å |
| 157 | I | 84.2 | Confident | 81.6 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 177.1 | -65.3 | 163.5 | 0 | 0 | 0 | 109.8 | L126 I127 A153 R159 Q160 Q161 G162 L166 | L126-I157 HydrophobicContact CD2-CD1 4Å; L126-I157 HydrophobicContact CD2-CG2 4.5Å; L126-I157 HydrophobicContact CG-CD1 4.41Å; I127-I157 HydrophobicContact CG1-CD1 4.22Å; A153-I157 WeakPolarHBondContact O-CB 3.32Å; A153-I157 WeakPolarHBondContact O-CD1 3.38Å; A153-I157 WeakPolarHBondContact O-CG1 3.47Å; A153-I157 PolarHBondContact O-N 2.96Å; I157-R159 PolarHBondContact O-N 2.72Å; I157-Q160 PolarHBondContact O-N 2.99Å; I157-Q161 WeakPolarHBondContact O-CB 3.47Å; I157-Q161 PolarHBondContact O-N 3.39Å; I157-G162 PolarHBondContact O-N 3.34Å; I157-L166 HydrophobicContact CB-CD2 4.16Å; I157-L166 HydrophobicContact CG2-CD2 3.68Å; I157-L166 HydrophobicContact CG2-CG 4.27Å |
| 158 | W | 84.1 | Confident | 82 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 178 | -176.8 | -86.1 | 0 | 0 | 0 | 112.5 | L154 E155 T156 G162 L163 L166 | L154-W158 WeakPolarHBondContact O-CB 3.24Å; L154-W158 PolarHBondContact O-N 3.34Å; E155-W158 PolarHBondContact O-N 3.24Å; T156-W158 VanDerWaalsContact C-N 3.34Å; T156-W158 PolarHBondContact O-N 3.27Å; W158-G162 WeakPolarHBondContact O-CA 3.3Å; W158-G162 PolarHBondContact O-N 3.05Å; W158-L163 HydrophobicContact CE3-CB 4.4Å; W158-L163 HydrophobicContact CH2-CB 4.09Å; W158-L163 HydrophobicContact CH2-CD1 3.61Å; W158-L163 HydrophobicContact CH2-CG 4.09Å; W158-L163 HydrophobicContact CZ3-CB 3.8Å; W158-L163 HydrophobicContact CZ3-CD1 3.73Å; W158-L163 HydrophobicContact CZ3-CG 3.73Å; W158-L166 HydrophobicContact CE3-CD1 3.93Å; W158-L166 HydrophobicContact CZ3-CD1 4.28Å |
| 159 | R | 83.6 | Confident | 82.3 | Confident | 192 Ų | 192 | 63.7 Ų | 63.7 | 73% | 0.725 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.7 | -34.4 | 179.4 | -73.1 | -180 | -179.3 | -133.7 | 6 | 113 | E155 T156 I157 | E155-R159 HydrophobicContact CG-CG 4.37Å; E155-R159 WeakPolarHBondContact O-CB 3.31Å; E155-R159 VanDerWaalsContact O-CG 3.31Å; E155-R159 WeakPolarHBondContact O-CG 3.39Å; E155-R159 PolarHBondContact O-N 3.46Å; E155-R159 IonicContact OE1-CZ 3.12Å; E155-R159 IonicContact OE1-NE 2.64Å; E155-R159 PolarHBondContact OE1-NE 3.32Å; E155-R159 IonicContact OE1-NH2 3.6Å; E155-R159 PolarHBondContact OE1-NH2 2.96Å; T156-R159 PolarHBondContact O-N 3.42Å; I157-R159 PolarHBondContact O-N 2.72Å |
| 160 | Q | 81.3 | Confident | 82.4 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -88.6 | -35.9 | -175 | -70.2 | -179.4 | -1.8 | 0 | 0 | 113.8 | T156 I157 | T156-Q160 HydrophobicContact CG2-CG 4.25Å; T156-Q160 VanDerWaalsContact O-CB 3.31Å; T156-Q160 WeakPolarHBondContact O-CB 3.31Å; T156-Q160 VanDerWaalsContact O-CG 3.28Å; T156-Q160 WeakPolarHBondContact O-CG 3.39Å; T156-Q160 PolarHBondContact O-N 3.37Å; I157-Q160 PolarHBondContact O-N 2.99Å |
| 161 | Q | 77.9 | Confident | 82.4 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -125.1 | -7.2 | -168.3 | -56.3 | 167.6 | 19.7 | 0 | 0 | 112.8 | I157 Q168 V239 | I157-Q161 WeakPolarHBondContact O-CB 3.47Å; I157-Q161 PolarHBondContact O-N 3.39Å; Q161-Q168 VanDerWaalsContact OE1-OE1 3.12Å; Q161-V239 HydrophobicContact CG-CG2 3.69Å |
| 162 | G | 81.8 | Confident | 82.2 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | 71.7 | -168 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I157 W158 L164 G165 | I157-G162 PolarHBondContact O-N 3.34Å; W158-G162 WeakPolarHBondContact O-CA 3.3Å; W158-G162 PolarHBondContact O-N 3.05Å; G162-L164 VanDerWaalsContact C-N 3.34Å; G162-L164 PolarHBondContact O-N 3.13Å; G162-G165 PolarHBondContact O-N 3.46Å |
| 163 | L | 80.9 | Confident | 82.2 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | -176.5 | -169 | 149.2 | 0 | 0 | 0 | 112.5 | W158 G165 L166 W167 | W158-L163 HydrophobicContact CE3-CB 4.4Å; W158-L163 HydrophobicContact CH2-CB 4.09Å; W158-L163 HydrophobicContact CH2-CD1 3.61Å; W158-L163 HydrophobicContact CH2-CG 4.09Å; W158-L163 HydrophobicContact CZ3-CB 3.8Å; W158-L163 HydrophobicContact CZ3-CD1 3.73Å; W158-L163 HydrophobicContact CZ3-CG 3.73Å; L163-G165 VanDerWaalsContact C-N 3.26Å; L163-G165 PolarHBondContact O-N 3.26Å; L163-L166 PolarHBondContact O-N 3.38Å; L163-W167 HydrophobicContact CD2-CE3 4.24Å; L163-W167 HydrophobicContact CD2-CZ3 3.72Å; L163-W167 HydrophobicContact CG-CZ3 4.23Å |
| 164 | L | 79.3 | Confident | 82.4 | Confident | 148 Ų | 148 | 56.4 Ų | 56.4 | 78% | 0.775 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.1 | -25.3 | 179.7 | -68.3 | 173.9 | 0 | 0 | 0 | 112.9 | G162 L166 W167 | G162-L164 VanDerWaalsContact C-N 3.34Å; G162-L164 PolarHBondContact O-N 3.13Å; L164-L166 PolarHBondContact O-N 3.23Å; L164-W167 PolarHBondContact O-N 3.24Å; L164-W167 VanDerWaalsContact O-N 3.16Å |
| 165 | G | 79.4 | Confident | 82.6 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -29.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L126 G162 L163 W167 Q168 | L126-G165 WeakPolarHBondContact CD2-O 3.31Å; G162-G165 PolarHBondContact O-N 3.46Å; L163-G165 VanDerWaalsContact C-N 3.26Å; L163-G165 PolarHBondContact O-N 3.26Å; G165-W167 PolarHBondContact O-N 3.28Å; G165-Q168 WeakPolarHBondContact O-CB 3.39Å; G165-Q168 PolarHBondContact O-N 2.88Å; G165-Q168 VanDerWaalsContact O-N 3.16Å |
| 166 | L | 83.4 | Confident | 82.7 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.9 | 178.9 | -64.1 | 174 | 0 | 0 | 0 | 114.1 | P123 L154 I157 W158 L163 L164 | P123-L166 WeakPolarHBondContact CA-O 3.5Å; P123-L166 HydrophobicContact CB-CB 4Å; P123-L166 HydrophobicContact CB-CD2 4.44Å; P123-L166 HydrophobicContact CG-CB 3.98Å; L154-L166 HydrophobicContact CD1-CD1 3.79Å; L154-L166 HydrophobicContact CD1-CD2 3.54Å; L154-L166 HydrophobicContact CD1-CG 4.34Å; I157-L166 HydrophobicContact CB-CD2 4.16Å; I157-L166 HydrophobicContact CG2-CD2 3.68Å; I157-L166 HydrophobicContact CG2-CG 4.27Å; W158-L166 HydrophobicContact CE3-CD1 3.93Å; W158-L166 HydrophobicContact CZ3-CD1 4.28Å; L163-L166 PolarHBondContact O-N 3.38Å; L164-L166 PolarHBondContact O-N 3.23Å |
| 167 | W | 85.9 | Confident | 82.7 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 11.9 | 175.6 | -80.6 | -92 | 0 | 0 | 0 | 113.2 | F119 P123 L163 L164 G165 G169 V170 | F119-W167 AromaticContact CD1-NE1 3.77Å; F119-W167 AromaticContact CD2-CD1 3.76Å; F119-W167 AromaticContact CD2-NE1 3.89Å; F119-W167 AromaticContact CE1-NE1 3.55Å; F119-W167 AromaticContact CE2-CD1 3.46Å; F119-W167 VanDerWaalsContact CE2-CD1 3.46Å; F119-W167 HydrophobicContact CE2-CG 4.33Å; F119-W167 AromaticContact CE2-NE1 3.67Å; F119-W167 AromaticContact CG-NE1 3.92Å; F119-W167 AromaticContact CZ-CD1 3.71Å; F119-W167 HydrophobicContact CZ-CG 4.43Å; F119-W167 AromaticContact CZ-NE1 3.49Å; F119-W167 PolarHBondContact O-NE1 3.36Å; P123-W167 HydrophobicContact CG-CD2 4.36Å; P123-W167 HydrophobicContact CG-CE3 4.45Å; P123-W167 HydrophobicContact CG-CH2 4.04Å; P123-W167 HydrophobicContact CG-CZ2 3.92Å; P123-W167 HydrophobicContact CG-CZ3 4.3Å; L163-W167 HydrophobicContact CD2-CE3 4.24Å; L163-W167 HydrophobicContact CD2-CZ3 3.72Å; L163-W167 HydrophobicContact CG-CZ3 4.23Å; L164-W167 PolarHBondContact O-N 3.24Å; L164-W167 VanDerWaalsContact O-N 3.16Å; G165-W167 PolarHBondContact O-N 3.28Å; W167-G169 PolarHBondContact O-N 3.46Å; W167-V170 HydrophobicContact CB-CG1 4.46Å; W167-V170 WeakPolarHBondContact O-CB 3.44Å; W167-V170 VanDerWaalsContact O-CG1 3.3Å; W167-V170 WeakPolarHBondContact O-CG1 3.34Å; W167-V170 PolarHBondContact O-N 2.91Å |
| 168 | Q | 79.9 | Confident | 82.8 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 136.2 | 168.6 | -111.1 | -167 | -89.6 | 0 | 0 | 111 | L126 Q161 G165 V170 Y235 V239 | L126-Q168 HydrophobicContact CD1-CB 4.47Å; Q161-Q168 VanDerWaalsContact OE1-OE1 3.12Å; G165-Q168 WeakPolarHBondContact O-CB 3.39Å; G165-Q168 PolarHBondContact O-N 2.88Å; G165-Q168 VanDerWaalsContact O-N 3.16Å; Q168-V170 PolarHBondContact O-N 3.31Å; Q168-Y235 WeakPolarHBondContact O-CD1 3.34Å; Q168-Y235 WeakPolarHBondContact O-CE1 3.34Å; Q168-V239 HydrophobicContact CG-CG1 4.01Å |
| 169 | G | 77.1 | Confident | 82.9 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -1.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | W167 G171 G172 A173 | W167-G169 PolarHBondContact O-N 3.46Å; G169-G171 PolarHBondContact O-N 3.15Å; G169-G171 VanDerWaalsContact O-N 3.15Å; G169-G172 WeakPolarHBondContact O-CA 3.47Å; G169-G172 PolarHBondContact O-N 3.26Å; G169-A173 PolarHBondContact O-N 3.21Å |
| 170 | V | 83.8 | Confident | 83 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.4 | -32 | 175.6 | 76.3 | 0 | 0 | 0 | 0 | 112.4 | F119 W167 Q168 G172 A173 V174 | F119-V170 HydrophobicContact CD2-CG2 3.82Å; W167-V170 HydrophobicContact CB-CG1 4.46Å; W167-V170 WeakPolarHBondContact O-CB 3.44Å; W167-V170 VanDerWaalsContact O-CG1 3.3Å; W167-V170 WeakPolarHBondContact O-CG1 3.34Å; W167-V170 PolarHBondContact O-N 2.91Å; Q168-V170 PolarHBondContact O-N 3.31Å; V170-G172 PolarHBondContact O-N 3.3Å; V170-A173 PolarHBondContact O-N 2.95Å; V170-A173 VanDerWaalsContact O-N 3.08Å; V170-V174 HydrophobicContact CG2-CG2 4.05Å; V170-V174 PolarHBondContact O-N 2.93Å |
| 171 | G | 81.6 | Confident | 83.1 | Confident | 44 Ų | 44 | 37.6 Ų | 37.6 | 45% | 0.454 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.7 | -18.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G169 P175 | G169-G171 PolarHBondContact O-N 3.15Å; G169-G171 VanDerWaalsContact O-N 3.15Å; G171-P175 VanDerWaalsContact O-CD 3.25Å; G171-P175 WeakPolarHBondContact O-CD 3.22Å; G171-P175 VanDerWaalsContact O-CG 3.31Å; G171-P175 WeakPolarHBondContact O-CG 3.41Å |
| 172 | G | 81.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -93.1 | -33.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.6 | G169 V170 R176 | G169-G172 WeakPolarHBondContact O-CA 3.47Å; G169-G172 PolarHBondContact O-N 3.26Å; V170-G172 PolarHBondContact O-N 3.3Å; G172-R176 WeakPolarHBondContact O-CB 3.26Å; G172-R176 PolarHBondContact O-N 3.23Å |
| 173 | A | 84 | Confident | 83.7 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.1 | -42.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G169 V170 R176 V177 Y235 | G169-A173 PolarHBondContact O-N 3.21Å; V170-A173 PolarHBondContact O-N 2.95Å; V170-A173 VanDerWaalsContact O-N 3.08Å; A173-R176 WeakPolarHBondContact O-CB 3.23Å; A173-R176 PolarHBondContact O-N 2.98Å; A173-V177 WeakPolarHBondContact O-CG2 3.26Å; A173-V177 PolarHBondContact O-N 2.89Å; A173-V177 VanDerWaalsContact O-N 3.09Å; A173-Y235 HydrophobicContact CB-CE2 3.85Å; A173-Y235 WeakPolarHBondContact CB-OH 3.45Å |
| 174 | V | 86.9 | Confident | 83.9 | Confident | 35 Ų | 35 | 39 Ų | 39 | 21% | 0.212 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -51.2 | -177.3 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | A115 A118 V170 R176 V177 M178 | A115-V174 HydrophobicContact CB-CG1 3.84Å; A118-V174 HydrophobicContact CB-CG2 4.38Å; V170-V174 HydrophobicContact CG2-CG2 4.05Å; V170-V174 PolarHBondContact O-N 2.93Å; V174-R176 VanDerWaalsContact C-N 3.26Å; V174-R176 PolarHBondContact O-N 3.46Å; V174-V177 PolarHBondContact O-N 3.33Å; V174-V177 VanDerWaalsContact O-N 3.16Å; V174-M178 HydrophobicContact CG1-CG 4.34Å; V174-M178 HydrophobicContact CG1-SD 3.83Å; V174-M178 WeakPolarHBondContact O-CG 3.26Å; V174-M178 PolarHBondContact O-N 3.01Å |
| 175 | P | 88.3 | Confident | 84 | Confident | 32 Ų | 32 | 36 Ų | 36 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -38.4 | 176.5 | -26.2 | 36.2 | 0 | 0 | 0 | 112.9 | G171 V177 M178 V179 F227 L251 | G171-P175 VanDerWaalsContact O-CD 3.25Å; G171-P175 WeakPolarHBondContact O-CD 3.22Å; G171-P175 VanDerWaalsContact O-CG 3.31Å; G171-P175 WeakPolarHBondContact O-CG 3.41Å; P175-V177 PolarHBondContact O-N 3.29Å; P175-M178 PolarHBondContact O-N 3.19Å; P175-V179 WeakPolarHBondContact O-CB 3.38Å; P175-V179 VanDerWaalsContact O-CG2 3.25Å; P175-V179 WeakPolarHBondContact O-CG2 3.21Å; P175-V179 PolarHBondContact O-N 2.75Å; P175-F227 HydrophobicContact CB-CD1 3.9Å; P175-F227 HydrophobicContact CB-CE1 4.08Å; P175-L251 HydrophobicContact CB-CD2 4.44Å; P175-L251 HydrophobicContact CG-CD2 4.05Å |
| 176 | R | 87.4 | Confident | 84.2 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.6 | -50.6 | 175.3 | 172.5 | -166.3 | 168.3 | 167.9 | -1 | 111.9 | Y125 G172 A173 V174 G180 M224 F227 D228 S231 | Y125-R176 VanDerWaalsContact CZ-NH1 3.34Å; Y125-R176 PolarHBondContact OH-NH1 2.95Å; G172-R176 WeakPolarHBondContact O-CB 3.26Å; G172-R176 PolarHBondContact O-N 3.23Å; A173-R176 WeakPolarHBondContact O-CB 3.23Å; A173-R176 PolarHBondContact O-N 2.98Å; V174-R176 VanDerWaalsContact C-N 3.26Å; V174-R176 PolarHBondContact O-N 3.46Å; R176-G180 PolarHBondContact O-N 3.42Å; R176-M224 HydrophobicContact CG-CG 3.81Å; R176-M224 HydrophobicContact CG-SD 4.18Å; R176-F227 HydrophobicContact CB-CB 3.83Å; R176-F227 HydrophobicContact CG-CB 4.42Å; R176-D228 WeakPolarHBondContact CD-OD1 3.45Å; R176-D228 WeakPolarHBondContact CG-OD1 3.19Å; R176-D228 IonicContact CZ-OD1 3.53Å; R176-D228 IonicContact NE-OD1 3.71Å; R176-D228 PolarHBondContact NE-OD1 3.36Å; R176-D228 IonicContact NH1-OD1 3.88Å; R176-D228 IonicContact NH2-OD1 2.63Å; R176-S231 PolarHBondContact NH1-OG 3.25Å |
| 177 | V | 85.1 | Confident | 84.4 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | -179.1 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | M83 A118 A173 V174 P175 G180 S181 | M83-V177 HydrophobicContact CE-CG1 4.09Å; M83-V177 HydrophobicContact CE-CG2 4.09Å; A118-V177 HydrophobicContact CB-CB 4.47Å; A118-V177 HydrophobicContact CB-CG2 3.97Å; A173-V177 WeakPolarHBondContact O-CG2 3.26Å; A173-V177 PolarHBondContact O-N 2.89Å; A173-V177 VanDerWaalsContact O-N 3.09Å; V174-V177 PolarHBondContact O-N 3.33Å; V174-V177 VanDerWaalsContact O-N 3.16Å; P175-V177 PolarHBondContact O-N 3.29Å; V177-G180 PolarHBondContact O-N 3.16Å; V177-S181 PolarHBondContact O-N 3.49Å; V177-S181 PolarHBondContact O-OG 2.82Å |
| 178 | M | 84.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 40.1 Ų | 40.1 | 44% | 0.438 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 177.1 | -69.3 | 177.8 | 68.7 | 0 | 0 | 112.2 | V174 P175 S181 A182 | V174-M178 HydrophobicContact CG1-CG 4.34Å; V174-M178 HydrophobicContact CG1-SD 3.83Å; V174-M178 WeakPolarHBondContact O-CG 3.26Å; V174-M178 PolarHBondContact O-N 3.01Å; P175-M178 PolarHBondContact O-N 3.19Å; M178-S181 PolarHBondContact O-N 2.81Å; M178-A182 WeakPolarHBondContact O-CB 3.14Å; M178-A182 PolarHBondContact O-N 2.66Å |
| 179 | V | 87.8 | Confident | 84.4 | Confident | 42 Ų | 42 | 43.5 Ų | 43.5 | 26% | 0.255 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | P175 A182 A183 A223 F227 | P175-V179 WeakPolarHBondContact O-CB 3.38Å; P175-V179 VanDerWaalsContact O-CG2 3.25Å; P175-V179 WeakPolarHBondContact O-CG2 3.21Å; P175-V179 PolarHBondContact O-N 2.75Å; V179-A182 PolarHBondContact O-N 3.19Å; V179-A183 VanDerWaalsContact O-CB 3.27Å; V179-A183 WeakPolarHBondContact O-CB 3.43Å; V179-A183 PolarHBondContact O-N 3.02Å; V179-A223 HydrophobicContact CG1-CB 4Å; V179-F227 HydrophobicContact CB-CD2 4.25Å; V179-F227 HydrophobicContact CB-CE2 4.28Å; V179-F227 HydrophobicContact CG1-CD2 4.16Å; V179-F227 HydrophobicContact CG1-CE2 4.1Å; V179-F227 HydrophobicContact CG2-CD2 4.08Å; V179-F227 HydrophobicContact CG2-CE2 3.72Å; V179-F227 HydrophobicContact CG2-CZ 4.07Å |
| 180 | G | 85.7 | Confident | 84.8 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R176 V177 Q184 | R176-G180 PolarHBondContact O-N 3.42Å; V177-G180 PolarHBondContact O-N 3.16Å; G180-Q184 VanDerWaalsContact O-CB 3.31Å; G180-Q184 WeakPolarHBondContact O-CB 2.95Å; G180-Q184 PolarHBondContact O-N 3.01Å |
| 181 | S | 83.4 | Confident | 84.8 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.7 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | V177 M178 Q184 L185 | V177-S181 PolarHBondContact O-N 3.49Å; V177-S181 PolarHBondContact O-OG 2.82Å; M178-S181 PolarHBondContact O-N 2.81Å; S181-Q184 PolarHBondContact O-N 3.1Å; S181-L185 WeakPolarHBondContact O-CG 3.27Å; S181-L185 PolarHBondContact O-N 3.27Å |
| 182 | A | 84.4 | Confident | 84.8 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 45% | 0.446 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M178 V179 Q184 L185 A186 | M178-A182 WeakPolarHBondContact O-CB 3.14Å; M178-A182 PolarHBondContact O-N 2.66Å; V179-A182 PolarHBondContact O-N 3.19Å; A182-Q184 PolarHBondContact O-N 2.95Å; A182-L185 PolarHBondContact O-N 3.42Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.37Å |
| 183 | A | 87.1 | Confident | 84.9 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 13% | 0.132 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | V179 L185 A186 T187 V220 A223 | V179-A183 VanDerWaalsContact O-CB 3.27Å; V179-A183 WeakPolarHBondContact O-CB 3.43Å; V179-A183 PolarHBondContact O-N 3.02Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3Å; A183-A186 PolarHBondContact O-N 3.17Å; A183-T187 PolarHBondContact O-N 2.92Å; A183-T187 PolarHBondContact O-OG1 3.29Å; A183-V220 HydrophobicContact CB-CB 4.5Å; A183-V220 HydrophobicContact CB-CG2 4.1Å; A183-A223 HydrophobicContact CB-CB 4.1Å |
| 184 | Q | 85.3 | Confident | 84.9 | Confident | 108 Ų | 108 | 55.1 Ų | 55.1 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | -178.6 | -177.6 | 178.2 | -23.6 | 0 | 0 | 111.4 | G180 S181 A182 F188 V220 | G180-Q184 VanDerWaalsContact O-CB 3.31Å; G180-Q184 WeakPolarHBondContact O-CB 2.95Å; G180-Q184 PolarHBondContact O-N 3.01Å; S181-Q184 PolarHBondContact O-N 3.1Å; A182-Q184 PolarHBondContact O-N 2.95Å; Q184-F188 WeakPolarHBondContact O-CB 3.33Å; Q184-F188 PolarHBondContact O-N 2.91Å; Q184-V220 VanDerWaalsContact CA-CG2 3.45Å; Q184-V220 HydrophobicContact CB-CG2 3.76Å; Q184-V220 HydrophobicContact CG-CG2 4.46Å |
| 185 | L | 81.6 | Confident | 84.7 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 45% | 0.45 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 180 | -69.2 | 168.2 | 0 | 0 | 0 | 112.2 | V107 S181 A182 A183 | V107-L185 HydrophobicContact CB-CD1 4.3Å; V107-L185 HydrophobicContact CG1-CD1 3.93Å; V107-L185 HydrophobicContact CG2-CD1 4.13Å; S181-L185 WeakPolarHBondContact O-CG 3.27Å; S181-L185 PolarHBondContact O-N 3.27Å; A182-L185 PolarHBondContact O-N 3.42Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3Å |
| 186 | A | 84.6 | Confident | 84.3 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 52% | 0.521 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A182 A183 S190 | A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.37Å; A183-A186 PolarHBondContact O-N 3.17Å; A186-S190 PolarHBondContact O-OG 3.45Å |
| 187 | T | 86.8 | Confident | 84.1 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -94.9 | -25.5 | -172.6 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | A183 A191 S216 A219 | A183-T187 PolarHBondContact O-N 2.92Å; A183-T187 PolarHBondContact O-OG1 3.29Å; T187-A191 WeakPolarHBondContact O-CB 3.24Å; T187-A191 PolarHBondContact O-N 3.22Å; T187-S216 PolarHBondContact OG1-OG 3.39Å; T187-A219 HydrophobicContact CG2-CB 3.7Å |
| 188 | F | 84.6 | Confident | 83.8 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 30% | 0.303 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | -176.1 | -179.5 | -101.5 | 0 | 0 | 0 | 112.9 | Q184 A191 K192 S216 | Q184-F188 WeakPolarHBondContact O-CB 3.33Å; Q184-F188 PolarHBondContact O-N 2.91Å; F188-A191 PolarHBondContact O-N 2.94Å; F188-K192 HydrophobicContact CE1-CD 4.38Å; F188-K192 VanDerWaalsContact O-CB 3.25Å; F188-K192 WeakPolarHBondContact O-CB 3.49Å; F188-K192 PolarHBondContact O-N 3.23Å; F188-S216 WeakPolarHBondContact CA-OG 3.12Å; F188-S216 PolarHBondContact N-OG 2.92Å |
| 189 | T | 81 | Confident | 83.2 | Confident | 90 Ų | 90 | 68 Ų | 68 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.3 | -47.2 | 178.8 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | K192 A193 | T189-K192 PolarHBondContact O-N 3Å; T189-A193 WeakPolarHBondContact O-CB 3.4Å; T189-A193 PolarHBondContact O-N 2.91Å |
| 190 | S | 84.9 | Confident | 82.3 | Confident | 78 Ų | 78 | 74.7 Ų | 74.7 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | A186 A193 W194 | A186-S190 PolarHBondContact O-OG 3.45Å; S190-A193 PolarHBondContact O-N 2.77Å; S190-W194 WeakPolarHBondContact O-CB 3.2Å; S190-W194 PolarHBondContact O-N 2.73Å |
| 191 | A | 85.4 | Confident | 81.6 | Confident | 9 Ų | 9 | 76.9 Ų | 76.9 | 7% | 0.074 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T187 F188 W194 V195 G212 I215 | T187-A191 WeakPolarHBondContact O-CB 3.24Å; T187-A191 PolarHBondContact O-N 3.22Å; F188-A191 PolarHBondContact O-N 2.94Å; A191-W194 PolarHBondContact O-N 3.32Å; A191-V195 WeakPolarHBondContact O-CG2 3.29Å; A191-V195 PolarHBondContact O-N 2.88Å; A191-G212 WeakPolarHBondContact CB-O 3.25Å; A191-I215 HydrophobicContact CB-CB 4.27Å; A191-I215 HydrophobicContact CB-CG2 4.12Å |
| 192 | K | 80.8 | Confident | 81 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176 | -173.1 | -179.3 | 177.3 | -176 | 0 | 111.3 | F188 T189 W194 V195 Q196 V208 | F188-K192 HydrophobicContact CE1-CD 4.38Å; F188-K192 VanDerWaalsContact O-CB 3.25Å; F188-K192 WeakPolarHBondContact O-CB 3.49Å; F188-K192 PolarHBondContact O-N 3.23Å; T189-K192 PolarHBondContact O-N 3Å; K192-W194 VanDerWaalsContact C-N 3.29Å; K192-W194 PolarHBondContact O-N 3.07Å; K192-V195 PolarHBondContact O-N 3.31Å; K192-Q196 WeakPolarHBondContact O-CG 3.45Å; K192-Q196 PolarHBondContact O-N 3.49Å; K192-V208 HydrophobicContact CG-CG1 4.49Å |
| 193 | A | 83.3 | Confident | 79.8 | Confident | 55 Ų | 55 | 82.5 Ų | 82.5 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T189 S190 Q196 K197 | T189-A193 WeakPolarHBondContact O-CB 3.4Å; T189-A193 PolarHBondContact O-N 2.91Å; S190-A193 PolarHBondContact O-N 2.77Å; A193-Q196 PolarHBondContact O-N 3.49Å; A193-K197 WeakPolarHBondContact O-CB 3.45Å; A193-K197 PolarHBondContact O-N 2.68Å |
| 194 | W | 84 | Confident | 78.6 | Confident | 121 Ų | 121 | 89.9 Ų | 89.9 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 175.5 | -176.3 | 82.1 | 0 | 0 | 0 | 112.4 | S190 A191 K192 K197 Q198 W200 I215 | S190-W194 WeakPolarHBondContact O-CB 3.2Å; S190-W194 PolarHBondContact O-N 2.73Å; A191-W194 PolarHBondContact O-N 3.32Å; K192-W194 VanDerWaalsContact C-N 3.29Å; K192-W194 PolarHBondContact O-N 3.07Å; W194-K197 PolarHBondContact O-N 3.26Å; W194-Q198 WeakPolarHBondContact O-CG 3.49Å; W194-Q198 PolarHBondContact O-N 3.21Å; W194-W200 HydrophobicContact CH2-CH2 4.36Å; W194-W200 HydrophobicContact CH2-CZ3 4.48Å; W194-I215 HydrophobicContact CE3-CD1 3.81Å; W194-I215 HydrophobicContact CZ3-CD1 3.56Å |
| 195 | V | 82.9 | Confident | 78 | Confident | 8 Ų | 8 | 86.1 Ų | 86.1 | 5% | 0.048 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 177.3 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | A191 K192 K197 Q198 V208 A211 I215 | A191-V195 WeakPolarHBondContact O-CG2 3.29Å; A191-V195 PolarHBondContact O-N 2.88Å; K192-V195 PolarHBondContact O-N 3.31Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-K197 PolarHBondContact O-N 2.63Å; V195-Q198 PolarHBondContact O-N 2.88Å; V195-V208 HydrophobicContact CG1-CG1 4Å; V195-A211 HydrophobicContact CG1-CB 4.11Å; V195-A211 HydrophobicContact CG2-CB 4.28Å; V195-I215 HydrophobicContact CG2-CD1 3.6Å |
| 196 | Q | 80.3 | Confident | 77.5 | Confident | 74 Ų | 74 | 89 Ų | 89 | 35% | 0.346 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.1 | -74.5 | 178.2 | -45.6 | 0 | 0 | 111.8 | K192 A193 Q198 Q199 V208 | K192-Q196 WeakPolarHBondContact O-CG 3.45Å; K192-Q196 PolarHBondContact O-N 3.49Å; A193-Q196 PolarHBondContact O-N 3.49Å; Q196-Q198 PolarHBondContact O-N 3.17Å; Q196-Q199 PolarHBondContact O-N 3.44Å; Q196-Q199 VanDerWaalsContact O-N 3.15Å; Q196-V208 HydrophobicContact CG-CG1 3.59Å |
| 197 | K | 82.1 | Confident | 77.1 | Confident | 179 Ų | 179 | 88.9 Ų | 88.9 | 78% | 0.778 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.6 | -28.6 | 178.6 | -173.2 | 176.2 | 179.1 | 179.8 | 0 | 113.5 | A193 W194 V195 Q199 | A193-K197 WeakPolarHBondContact O-CB 3.45Å; A193-K197 PolarHBondContact O-N 2.68Å; W194-K197 PolarHBondContact O-N 3.26Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-K197 PolarHBondContact O-N 2.63Å; K197-Q199 VanDerWaalsContact C-N 3.31Å |
| 198 | Q | 79.2 | Confident | 76.7 | Confident | 79 Ų | 79 | 87.2 Ų | 87.2 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -11.6 | -179.6 | -65.5 | -68.5 | 1.1 | 0 | 0 | 113.5 | W194 V195 Q196 W200 | W194-Q198 WeakPolarHBondContact O-CG 3.49Å; W194-Q198 PolarHBondContact O-N 3.21Å; V195-Q198 PolarHBondContact O-N 2.88Å; Q196-Q198 PolarHBondContact O-N 3.17Å; Q198-W200 HydrophobicContact CB-CD2 3.96Å; Q198-W200 HydrophobicContact CB-CG 4.06Å; Q198-W200 HydrophobicContact CB-CZ2 4.44Å; Q198-W200 HydrophobicContact CG-CZ2 4.42Å; Q198-W200 PolarHBondContact O-N 3.3Å |
| 199 | Q | 71.9 | Confident | 76.4 | Confident | 140 Ų | 140 | 85.5 Ų | 85.5 | 65% | 0.654 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 23.1 | -178.3 | -64.4 | -159.2 | -46.7 | 0 | 0 | 115.6 | Q196 K197 L201 E203 | Q196-Q199 PolarHBondContact O-N 3.44Å; Q196-Q199 VanDerWaalsContact O-N 3.15Å; K197-Q199 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.88Å; Q199-E203 PolarHBondContact NE2-OE1 2.9Å |
| 200 | W | 69.6 | Low | 76.3 | Confident | 182 Ų | 182 | 82.4 Ų | 82.4 | 69% | 0.689 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -67.9 | -18 | 177.9 | -66.3 | -13 | 0 | 0 | 0 | 113.4 | W194 Q198 | W194-W200 HydrophobicContact CH2-CH2 4.36Å; W194-W200 HydrophobicContact CH2-CZ3 4.48Å; Q198-W200 HydrophobicContact CB-CD2 3.96Å; Q198-W200 HydrophobicContact CB-CG 4.06Å; Q198-W200 HydrophobicContact CB-CZ2 4.44Å; Q198-W200 HydrophobicContact CG-CZ2 4.42Å; Q198-W200 PolarHBondContact O-N 3.3Å |
| 201 | L | 70.1 | Confident | 76.3 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -138 | 150.2 | -173.8 | -69.8 | 165.3 | 0 | 0 | 0 | 109.4 | Q199 E203 L207 V208 A211 | Q199-L201 PolarHBondContact O-N 2.88Å; L201-E203 PolarHBondContact O-N 3.34Å; L201-L207 HydrophobicContact CD1-CB 3.89Å; L201-L207 HydrophobicContact CD2-CB 3.91Å; L201-L207 HydrophobicContact CD2-CD1 3.88Å; L201-L207 HydrophobicContact CG-CB 4.43Å; L201-V208 HydrophobicContact CB-CG2 3.58Å; L201-V208 HydrophobicContact CD1-CG2 4.26Å; L201-A211 HydrophobicContact CD1-CB 4.32Å |
| 202 | P | 71 | Confident | 76.1 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 58% | 0.584 | 39% | 0.39 | S | S | * | . | trans | -57.7 | 136.1 | 175.7 | -19 | 29.5 | 0 | 0 | 0 | 111.1 | D204 S205 V208 | P202-D204 PolarHBondContact O-N 3.5Å; P202-D204 VanDerWaalsContact O-N 3.1Å; P202-S205 VanDerWaalsContact O-CB 3.29Å; P202-S205 WeakPolarHBondContact O-CB 2.87Å; P202-S205 PolarHBondContact O-N 3.35Å; P202-V208 WeakPolarHBondContact O-CG2 3.11Å | ||
| 203 | E | 59.5 | Low | 76.3 | Confident | 120 Ų | 120 | 76.8 Ų | 76.8 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.2 | -168.4 | -66 | -174.9 | 173.5 | 0 | 0 | 114.4 | Q199 L201 | Q199-E203 PolarHBondContact NE2-OE1 2.9Å; L201-E203 PolarHBondContact O-N 3.34Å |
| 204 | D | 62.3 | Low | 76.3 | Confident | 171 Ų | 171 | 76.5 Ų | 76.5 | 91% | 0.914 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 7.4 | 176.7 | -76.8 | -34.7 | 0 | 0 | 0 | 114.3 | P202 | P202-D204 PolarHBondContact O-N 3.5Å; P202-D204 VanDerWaalsContact O-N 3.1Å |
| 205 | S | 71.4 | Confident | 76.5 | Confident | 28 Ų | 28 | 74 Ų | 74 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | trans | -78.9 | 135 | -179.5 | -168.1 | 0 | 0 | 0 | 0 | 111.6 | P202 L207 V208 | P202-S205 VanDerWaalsContact O-CB 3.29Å; P202-S205 WeakPolarHBondContact O-CB 2.87Å; P202-S205 PolarHBondContact O-N 3.35Å; S205-L207 PolarHBondContact O-N 2.84Å; S205-L207 PolarHBondContact OG-N 3.46Å; S205-V208 WeakPolarHBondContact O-CB 3.34Å; S205-V208 PolarHBondContact O-N 3.19Å | ||
| 206 | W | 71.9 | Confident | 76.6 | Confident | 147 Ų | 147 | 73.8 Ų | 73.8 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.6 | -24.9 | 168.8 | 68.8 | -85.2 | 0 | 0 | 0 | 112.8 | V208 A209 L210 | W206-V208 VanDerWaalsContact C-N 3.27Å; W206-V208 PolarHBondContact O-N 2.97Å; W206-A209 PolarHBondContact O-N 3.12Å; W206-L210 HydrophobicContact CE3-CB 4.42Å; W206-L210 HydrophobicContact CE3-CD2 4.49Å; W206-L210 HydrophobicContact CH2-CD2 4.47Å; W206-L210 HydrophobicContact CZ3-CD2 3.8Å; W206-L210 PolarHBondContact O-N 2.88Å |
| 207 | L | 75.5 | Confident | 76.9 | Confident | 60 Ų | 60 | 71 Ų | 71 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61 | -33.3 | 175.4 | -65.6 | 173.5 | 0 | 0 | 0 | 112.9 | L201 S205 L210 A211 | L201-L207 HydrophobicContact CD1-CB 3.89Å; L201-L207 HydrophobicContact CD2-CB 3.91Å; L201-L207 HydrophobicContact CD2-CD1 3.88Å; L201-L207 HydrophobicContact CG-CB 4.43Å; S205-L207 PolarHBondContact O-N 2.84Å; S205-L207 PolarHBondContact OG-N 3.46Å; L207-L210 PolarHBondContact O-N 2.83Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.37Å; L207-A211 PolarHBondContact O-N 3.48Å |
| 208 | V | 79.1 | Confident | 77.3 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | K192 V195 Q196 L201 P202 S205 W206 L210 A211 G212 | K192-V208 HydrophobicContact CG-CG1 4.49Å; V195-V208 HydrophobicContact CG1-CG1 4Å; Q196-V208 HydrophobicContact CG-CG1 3.59Å; L201-V208 HydrophobicContact CB-CG2 3.58Å; L201-V208 HydrophobicContact CD1-CG2 4.26Å; P202-V208 WeakPolarHBondContact O-CG2 3.11Å; S205-V208 WeakPolarHBondContact O-CB 3.34Å; S205-V208 PolarHBondContact O-N 3.19Å; W206-V208 VanDerWaalsContact C-N 3.27Å; W206-V208 PolarHBondContact O-N 2.97Å; V208-L210 VanDerWaalsContact C-N 3.3Å; V208-L210 PolarHBondContact O-N 3.41Å; V208-A211 PolarHBondContact O-N 3.42Å; V208-G212 PolarHBondContact O-N 2.93Å |
| 209 | A | 77.3 | Confident | 77.8 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | W206 G213 | W206-A209 PolarHBondContact O-N 3.12Å; A209-G213 PolarHBondContact O-N 2.81Å |
| 210 | L | 80.8 | Confident | 78.6 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -51.1 | 175.2 | -178.1 | 70.1 | 0 | 0 | 0 | 111.8 | W206 L207 V208 G212 G213 M214 I283 | W206-L210 HydrophobicContact CE3-CB 4.42Å; W206-L210 HydrophobicContact CE3-CD2 4.49Å; W206-L210 HydrophobicContact CH2-CD2 4.47Å; W206-L210 HydrophobicContact CZ3-CD2 3.8Å; W206-L210 PolarHBondContact O-N 2.88Å; L207-L210 PolarHBondContact O-N 2.83Å; V208-L210 VanDerWaalsContact C-N 3.3Å; V208-L210 PolarHBondContact O-N 3.41Å; L210-G212 PolarHBondContact O-N 3.48Å; L210-G213 CarbonylContact O-C 3.51Å; L210-G213 WeakPolarHBondContact O-CA 3.42Å; L210-G213 PolarHBondContact O-N 3.41Å; L210-G213 VanDerWaalsContact O-N 3.15Å; L210-M214 HydrophobicContact CD1-CG 4.47Å; L210-M214 HydrophobicContact CG-CG 4.46Å; L210-M214 VanDerWaalsContact O-CG 3.3Å; L210-M214 WeakPolarHBondContact O-CG 3.25Å; L210-M214 PolarHBondContact O-N 3.26Å; L210-I283 HydrophobicContact CD1-CD1 4.31Å; L210-I283 HydrophobicContact CD1-CG1 3.53Å; L210-I283 HydrophobicContact CD2-CD1 4.37Å; L210-I283 HydrophobicContact CD2-CG1 4.16Å; L210-I283 HydrophobicContact CG-CG1 4.47Å |
| 211 | A | 83 | Confident | 79.5 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 24% | 0.24 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V195 L201 L207 V208 G213 M214 I215 | V195-A211 HydrophobicContact CG1-CB 4.11Å; V195-A211 HydrophobicContact CG2-CB 4.28Å; L201-A211 HydrophobicContact CD1-CB 4.32Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.37Å; L207-A211 PolarHBondContact O-N 3.48Å; V208-A211 PolarHBondContact O-N 3.42Å; A211-G213 VanDerWaalsContact C-N 3.3Å; A211-G213 PolarHBondContact O-N 3.21Å; A211-M214 PolarHBondContact O-N 3.26Å; A211-I215 WeakPolarHBondContact O-CG1 3.31Å; A211-I215 PolarHBondContact O-N 3Å |
| 212 | G | 83.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | A191 V208 L210 I215 S216 | A191-G212 WeakPolarHBondContact CB-O 3.25Å; V208-G212 PolarHBondContact O-N 2.93Å; L210-G212 PolarHBondContact O-N 3.48Å; G212-I215 PolarHBondContact O-N 3.01Å; G212-S216 WeakPolarHBondContact O-CB 3.39Å; G212-S216 PolarHBondContact O-N 2.75Å |
| 213 | G | 83.4 | Confident | 81.5 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A209 L210 A211 S217 | A209-G213 PolarHBondContact O-N 2.81Å; L210-G213 CarbonylContact O-C 3.51Å; L210-G213 WeakPolarHBondContact O-CA 3.42Å; L210-G213 PolarHBondContact O-N 3.41Å; L210-G213 VanDerWaalsContact O-N 3.15Å; A211-G213 VanDerWaalsContact C-N 3.3Å; A211-G213 PolarHBondContact O-N 3.21Å; G213-S217 WeakPolarHBondContact O-CB 3.39Å; G213-S217 PolarHBondContact O-N 2.84Å; G213-S217 PolarHBondContact O-OG 2.92Å |
| 214 | M | 85.1 | Confident | 82.9 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 178.2 | -70.4 | -64 | -69.6 | 0 | 0 | 112.1 | L210 A211 S217 G279 | L210-M214 HydrophobicContact CD1-CG 4.47Å; L210-M214 HydrophobicContact CG-CG 4.46Å; L210-M214 VanDerWaalsContact O-CG 3.3Å; L210-M214 WeakPolarHBondContact O-CG 3.25Å; L210-M214 PolarHBondContact O-N 3.26Å; A211-M214 PolarHBondContact O-N 3.26Å; M214-S217 WeakPolarHBondContact O-CB 3.47Å; M214-S217 PolarHBondContact O-N 3.07Å; M214-G279 VanDerWaalsContact SD-CA 3.52Å |
| 215 | I | 86.3 | Confident | 84.3 | Confident | 69 Ų | 69 | 35.4 Ų | 35.4 | 35% | 0.354 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.9 | -48.8 | 175.5 | -66 | 163.1 | 0 | 0 | 0 | 110.1 | A191 W194 V195 A211 G212 S217 I218 | A191-I215 HydrophobicContact CB-CB 4.27Å; A191-I215 HydrophobicContact CB-CG2 4.12Å; W194-I215 HydrophobicContact CE3-CD1 3.81Å; W194-I215 HydrophobicContact CZ3-CD1 3.56Å; V195-I215 HydrophobicContact CG2-CD1 3.6Å; A211-I215 WeakPolarHBondContact O-CG1 3.31Å; A211-I215 PolarHBondContact O-N 3Å; G212-I215 PolarHBondContact O-N 3.01Å; I215-S217 PolarHBondContact O-N 3.41Å; I215-I218 WeakPolarHBondContact O-CB 3.03Å; I215-I218 PolarHBondContact O-N 2.77Å; I215-I218 VanDerWaalsContact O-N 3.14Å |
| 216 | S | 86.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.5 | -37.4 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | T187 F188 G212 I218 A219 V220 | T187-S216 PolarHBondContact OG1-OG 3.39Å; F188-S216 WeakPolarHBondContact CA-OG 3.12Å; F188-S216 PolarHBondContact N-OG 2.92Å; G212-S216 WeakPolarHBondContact O-CB 3.39Å; G212-S216 PolarHBondContact O-N 2.75Å; S216-I218 PolarHBondContact O-N 2.6Å; S216-A219 PolarHBondContact O-N 3.43Å; S216-A219 VanDerWaalsContact O-N 3.15Å; S216-V220 WeakPolarHBondContact O-CG2 3.44Å; S216-V220 PolarHBondContact O-N 3.46Å |
| 217 | S | 86.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -29.3 | 180 | -73.6 | 0 | 0 | 0 | 0 | 113.4 | G213 M214 I215 V221 L278 | G213-S217 WeakPolarHBondContact O-CB 3.39Å; G213-S217 PolarHBondContact O-N 2.84Å; G213-S217 PolarHBondContact O-OG 2.92Å; M214-S217 WeakPolarHBondContact O-CB 3.47Å; M214-S217 PolarHBondContact O-N 3.07Å; I215-S217 PolarHBondContact O-N 3.41Å; S217-V221 VanDerWaalsContact O-CB 3.28Å; S217-V221 WeakPolarHBondContact O-CB 3.44Å; S217-V221 WeakPolarHBondContact O-CG2 3.45Å; S217-V221 PolarHBondContact O-N 3.42Å; S217-L278 WeakPolarHBondContact OG-CD2 3.45Å |
| 218 | I | 89.8 | Confident | 86.8 | Confident | 89 Ų | 89 | 27.6 Ų | 27.6 | 46% | 0.456 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.1 | -50 | 175.5 | -61 | 173.7 | 0 | 0 | 0 | 109.8 | I215 S216 V220 V221 V222 Y275 | I215-I218 WeakPolarHBondContact O-CB 3.03Å; I215-I218 PolarHBondContact O-N 2.77Å; I215-I218 VanDerWaalsContact O-N 3.14Å; S216-I218 PolarHBondContact O-N 2.6Å; I218-V220 PolarHBondContact O-N 3.38Å; I218-V221 PolarHBondContact O-N 3.12Å; I218-V222 WeakPolarHBondContact O-CG2 3.45Å; I218-V222 PolarHBondContact O-N 3.45Å; I218-Y275 HydrophobicContact CD1-CE2 4.47Å; I218-Y275 HydrophobicContact CG1-CD2 4.17Å; I218-Y275 HydrophobicContact CG1-CE2 3.48Å; I218-Y275 VanDerWaalsContact CG1-CE2 3.48Å |
| 219 | A | 89 | Confident | 87.2 | Confident | 41 Ų | 41 | 27.4 Ų | 27.4 | 34% | 0.339 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T187 S216 V221 V222 A223 | T187-A219 HydrophobicContact CG2-CB 3.7Å; S216-A219 PolarHBondContact O-N 3.43Å; S216-A219 VanDerWaalsContact O-N 3.15Å; A219-V221 PolarHBondContact O-N 2.89Å; A219-V222 PolarHBondContact O-N 3.37Å; A219-A223 WeakPolarHBondContact O-CB 3.25Å; A219-A223 PolarHBondContact O-N 3.26Å |
| 220 | V | 89 | Confident | 87.8 | Confident | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.055 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 174.7 | 175.9 | 0 | 0 | 0 | 0 | 111 | A183 Q184 S216 I218 V222 A223 M224 | A183-V220 HydrophobicContact CB-CB 4.5Å; A183-V220 HydrophobicContact CB-CG2 4.1Å; Q184-V220 VanDerWaalsContact CA-CG2 3.45Å; Q184-V220 HydrophobicContact CB-CG2 3.76Å; Q184-V220 HydrophobicContact CG-CG2 4.46Å; S216-V220 WeakPolarHBondContact O-CG2 3.44Å; S216-V220 PolarHBondContact O-N 3.46Å; I218-V220 PolarHBondContact O-N 3.38Å; V220-V222 PolarHBondContact O-N 3.44Å; V220-A223 PolarHBondContact O-N 3.4Å; V220-M224 WeakPolarHBondContact O-CB 3.34Å; V220-M224 PolarHBondContact O-N 3.1Å |
| 221 | V | 89.6 | Confident | 88.2 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | -178.5 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | S217 I218 A219 A223 M224 T225 L271 A274 Y275 L278 | S217-V221 VanDerWaalsContact O-CB 3.28Å; S217-V221 WeakPolarHBondContact O-CB 3.44Å; S217-V221 WeakPolarHBondContact O-CG2 3.45Å; S217-V221 PolarHBondContact O-N 3.42Å; I218-V221 PolarHBondContact O-N 3.12Å; A219-V221 PolarHBondContact O-N 2.89Å; V221-A223 PolarHBondContact O-N 3.22Å; V221-M224 PolarHBondContact O-N 3.39Å; V221-T225 VanDerWaalsContact O-CB 3.28Å; V221-T225 WeakPolarHBondContact O-CB 3.45Å; V221-T225 PolarHBondContact O-N 2.95Å; V221-T225 PolarHBondContact O-OG1 3.21Å; V221-L271 HydrophobicContact CG1-CD1 3.53Å; V221-L271 HydrophobicContact CG1-CG 4.12Å; V221-A274 HydrophobicContact CG1-CB 3.97Å; V221-Y275 HydrophobicContact CG2-CD2 4.49Å; V221-L278 HydrophobicContact CG2-CD2 3.78Å |
| 222 | V | 91.2 | Very high | 88.5 | Confident | 65 Ų | 65 | 23.4 Ų | 23.4 | 39% | 0.394 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | I218 A219 V220 P226 Y268 L271 | I218-V222 WeakPolarHBondContact O-CG2 3.45Å; I218-V222 PolarHBondContact O-N 3.45Å; A219-V222 PolarHBondContact O-N 3.37Å; V220-V222 PolarHBondContact O-N 3.44Å; V222-P226 WeakPolarHBondContact O-CD 3.44Å; V222-Y268 HydrophobicContact CG1-CE1 4.32Å; V222-L271 HydrophobicContact CG2-CD1 4.28Å |
| 223 | A | 90.4 | Very high | 88.7 | Confident | 36 Ų | 36 | 23.4 Ų | 23.4 | 30% | 0.298 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -70.9 | -37.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | V179 A183 A219 V220 V221 P226 | V179-A223 HydrophobicContact CG1-CB 4Å; A183-A223 HydrophobicContact CB-CB 4.1Å; A219-A223 WeakPolarHBondContact O-CB 3.25Å; A219-A223 PolarHBondContact O-N 3.26Å; V220-A223 PolarHBondContact O-N 3.4Å; V221-A223 PolarHBondContact O-N 3.22Å; A223-P226 WeakPolarHBondContact O-CD 3.31Å; A223-P226 WeakPolarHBondContact O-CG 3.38Å |
| 224 | M | 89.9 | Confident | 88.9 | Confident | 22 Ų | 22 | 22.9 Ų | 22.9 | 11% | 0.108 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -85.4 | -30.2 | -173 | -170 | -179.3 | 66.5 | 0 | 0 | 113.4 | R176 V220 V221 P226 F227 D228 | R176-M224 HydrophobicContact CG-CG 3.81Å; R176-M224 HydrophobicContact CG-SD 4.18Å; V220-M224 WeakPolarHBondContact O-CB 3.34Å; V220-M224 PolarHBondContact O-N 3.1Å; V221-M224 PolarHBondContact O-N 3.39Å; M224-P226 VanDerWaalsContact C-CD 3.5Å; M224-F227 PolarHBondContact O-N 3.22Å; M224-F227 VanDerWaalsContact O-N 3.07Å; M224-D228 WeakPolarHBondContact CG-OD1 3.49Å; M224-D228 PolarHBondContact O-N 3.04Å |
| 225 | T | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.1 | -42.4 | -175.7 | -59.7 | 0 | 0 | 0 | 0 | 115.2 | V221 F227 D228 V229 L271 | V221-T225 VanDerWaalsContact O-CB 3.28Å; V221-T225 WeakPolarHBondContact O-CB 3.45Å; V221-T225 PolarHBondContact O-N 2.95Å; V221-T225 PolarHBondContact O-OG1 3.21Å; T225-F227 VanDerWaalsContact C-N 3.3Å; T225-F227 PolarHBondContact O-N 3.37Å; T225-D228 WeakPolarHBondContact O-CB 3.36Å; T225-D228 PolarHBondContact O-N 2.84Å; T225-D228 VanDerWaalsContact O-N 3.14Å; T225-V229 HydrophobicContact CG2-CG2 4.36Å; T225-V229 WeakPolarHBondContact O-CG2 3.36Å; T225-V229 PolarHBondContact O-N 3.48Å; T225-L271 HydrophobicContact CG2-CD1 4.34Å; T225-L271 WeakPolarHBondContact OG1-CD1 3.44Å |
| 226 | P | 90.6 | Very high | 88.9 | Confident | 19 Ų | 19 | 17.3 Ų | 17.3 | 12% | 0.123 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 176.4 | 21.5 | -33.7 | 0 | 0 | 0 | 112.4 | V222 A223 M224 V229 V230 L267 | V222-P226 WeakPolarHBondContact O-CD 3.44Å; A223-P226 WeakPolarHBondContact O-CD 3.31Å; A223-P226 WeakPolarHBondContact O-CG 3.38Å; M224-P226 VanDerWaalsContact C-CD 3.5Å; P226-V229 PolarHBondContact O-N 2.98Å; P226-V230 WeakPolarHBondContact O-CG2 3.32Å; P226-V230 PolarHBondContact O-N 2.87Å; P226-V230 VanDerWaalsContact O-N 3.17Å; P226-L267 WeakPolarHBondContact CA-O 3.45Å; P226-L267 HydrophobicContact CB-CB 4.22Å |
| 227 | F | 91.1 | Very high | 88.6 | Confident | 51 Ų | 51 | 17.5 Ų | 17.5 | 22% | 0.224 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.1 | -33.7 | 175.9 | -62 | -81.2 | 0 | 0 | 0 | 112.1 | P175 R176 V179 M224 T225 S231 L251 | P175-F227 HydrophobicContact CB-CD1 3.9Å; P175-F227 HydrophobicContact CB-CE1 4.08Å; R176-F227 HydrophobicContact CB-CB 3.83Å; R176-F227 HydrophobicContact CG-CB 4.42Å; V179-F227 HydrophobicContact CB-CD2 4.25Å; V179-F227 HydrophobicContact CB-CE2 4.28Å; V179-F227 HydrophobicContact CG1-CD2 4.16Å; V179-F227 HydrophobicContact CG1-CE2 4.1Å; V179-F227 HydrophobicContact CG2-CD2 4.08Å; V179-F227 HydrophobicContact CG2-CE2 3.72Å; V179-F227 HydrophobicContact CG2-CZ 4.07Å; M224-F227 PolarHBondContact O-N 3.22Å; M224-F227 VanDerWaalsContact O-N 3.07Å; T225-F227 VanDerWaalsContact C-N 3.3Å; T225-F227 PolarHBondContact O-N 3.37Å; F227-S231 WeakPolarHBondContact O-CB 3.46Å; F227-S231 PolarHBondContact O-N 3.03Å; F227-S231 PolarHBondContact O-OG 3.05Å; F227-L251 HydrophobicContact CD1-CD1 4.34Å; F227-L251 HydrophobicContact CE1-CD2 4.46Å |
| 228 | D | 89.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.4 | -52.9 | 172.3 | -74.1 | -9.3 | 0 | 0 | 0 | 110.7 | K31 R176 M224 T225 V230 S231 T232 | K31-D228 IonicContact NZ-OD2 3.67Å; K31-D228 PolarHBondContact NZ-OD2 3.4Å; R176-D228 WeakPolarHBondContact CD-OD1 3.45Å; R176-D228 WeakPolarHBondContact CG-OD1 3.19Å; R176-D228 IonicContact CZ-OD1 3.53Å; R176-D228 IonicContact NE-OD1 3.71Å; R176-D228 PolarHBondContact NE-OD1 3.36Å; R176-D228 IonicContact NH1-OD1 3.88Å; R176-D228 IonicContact NH2-OD1 2.63Å; M224-D228 WeakPolarHBondContact CG-OD1 3.49Å; M224-D228 PolarHBondContact O-N 3.04Å; T225-D228 WeakPolarHBondContact O-CB 3.36Å; T225-D228 PolarHBondContact O-N 2.84Å; T225-D228 VanDerWaalsContact O-N 3.14Å; D228-V230 VanDerWaalsContact C-N 3.35Å; D228-V230 PolarHBondContact O-N 2.88Å; D228-S231 PolarHBondContact O-N 3.08Å; D228-S231 PolarHBondContact O-OG 3.09Å; D228-T232 WeakPolarHBondContact O-CB 3.4Å; D228-T232 PolarHBondContact O-N 3.03Å; D228-T232 PolarHBondContact O-OG1 3.37Å |
| 229 | V | 89.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59 | -47 | -178.3 | 174.6 | 0 | 0 | 0 | 0 | 111 | Q35 T225 P226 T232 R233 I258 L267 K269 | Q35-V229 HydrophobicContact CG-CG2 4.03Å; T225-V229 HydrophobicContact CG2-CG2 4.36Å; T225-V229 WeakPolarHBondContact O-CG2 3.36Å; T225-V229 PolarHBondContact O-N 3.48Å; P226-V229 PolarHBondContact O-N 2.98Å; V229-T232 PolarHBondContact O-N 3.26Å; V229-R233 WeakPolarHBondContact O-CG 3.32Å; V229-R233 PolarHBondContact O-N 3Å; V229-R233 VanDerWaalsContact O-N 3.16Å; V229-I258 HydrophobicContact CG1-CD1 4.22Å; V229-L267 WeakPolarHBondContact CG2-O 3.4Å; V229-K269 WeakPolarHBondContact CG2-O 3.24Å |
| 230 | V | 89.9 | Confident | 86.6 | Confident | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | P226 D228 R233 L234 L251 C254 M255 I258 L267 | P226-V230 WeakPolarHBondContact O-CG2 3.32Å; P226-V230 PolarHBondContact O-N 2.87Å; P226-V230 VanDerWaalsContact O-N 3.17Å; D228-V230 VanDerWaalsContact C-N 3.35Å; D228-V230 PolarHBondContact O-N 2.88Å; V230-R233 PolarHBondContact O-N 3.45Å; V230-L234 HydrophobicContact CG1-CD1 3.71Å; V230-L234 HydrophobicContact CG1-CG 4.15Å; V230-L234 WeakPolarHBondContact O-CB 3.35Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 2.93Å; V230-L251 HydrophobicContact CB-CD1 4.18Å; V230-L251 HydrophobicContact CG1-CD1 3.42Å; V230-L251 VanDerWaalsContact CG1-CD1 3.42Å; V230-L251 HydrophobicContact CG1-CG 4.33Å; V230-C254 HydrophobicContact CG1-CB 3.85Å; V230-M255 HydrophobicContact CG2-CB 4.33Å; V230-I258 HydrophobicContact CG2-CD1 3.99Å; V230-L267 HydrophobicContact CG2-CD2 4.28Å |
| 231 | S | 89.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 178.8 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | R176 F227 D228 R233 L234 Y235 | R176-S231 PolarHBondContact NH1-OG 3.25Å; F227-S231 WeakPolarHBondContact O-CB 3.46Å; F227-S231 PolarHBondContact O-N 3.03Å; F227-S231 PolarHBondContact O-OG 3.05Å; D228-S231 PolarHBondContact O-N 3.08Å; D228-S231 PolarHBondContact O-OG 3.09Å; S231-R233 VanDerWaalsContact C-N 3.29Å; S231-R233 PolarHBondContact O-N 3.47Å; S231-L234 PolarHBondContact O-N 3.35Å; S231-Y235 WeakPolarHBondContact O-CD2 3.5Å; S231-Y235 PolarHBondContact O-N 2.73Å |
| 232 | T | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -39.7 | -178.5 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | T32 Q35 L36 D228 V229 N236 | T32-T232 HydrophobicContact CG2-CG2 3.91Å; Q35-T232 HydrophobicContact CB-CG2 4.22Å; Q35-T232 PolarHBondContact OE1-OG1 3.27Å; L36-T232 HydrophobicContact CD1-CG2 4.46Å; L36-T232 HydrophobicContact CD2-CG2 4.03Å; L36-T232 HydrophobicContact CG-CG2 4Å; D228-T232 WeakPolarHBondContact O-CB 3.4Å; D228-T232 PolarHBondContact O-N 3.03Å; D228-T232 PolarHBondContact O-OG1 3.37Å; V229-T232 PolarHBondContact O-N 3.26Å; T232-N236 WeakPolarHBondContact O-CB 3.3Å; T232-N236 PolarHBondContact O-N 2.98Å |
| 233 | R | 88.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.8 | -41.5 | 176.5 | -70.8 | 169.6 | 174.6 | -141.7 | 4.9 | 112.9 | Q35 L36 V229 V230 S231 Y235 N236 Q237 Y248 E262 | Q35-R233 PolarHBondContact O-NE 3.34Å; Q35-R233 VanDerWaalsContact O-NE 3.1Å; Q35-R233 PolarHBondContact O-NH2 3.14Å; L36-R233 HydrophobicContact CD2-CG 3.95Å; V229-R233 WeakPolarHBondContact O-CG 3.32Å; V229-R233 PolarHBondContact O-N 3Å; V229-R233 VanDerWaalsContact O-N 3.16Å; V230-R233 PolarHBondContact O-N 3.45Å; S231-R233 VanDerWaalsContact C-N 3.29Å; S231-R233 PolarHBondContact O-N 3.47Å; R233-Y235 VanDerWaalsContact C-N 3.26Å; R233-Y235 PolarHBondContact O-N 3.03Å; R233-N236 PolarHBondContact O-N 2.73Å; R233-Q237 WeakPolarHBondContact O-CB 3.45Å; R233-Q237 PolarHBondContact O-N 2.97Å; R233-Y248 HydrophobicContact CB-CE2 4.15Å; R233-Y248 PolarHBondContact NH1-OH 3.36Å; R233-E262 IonicContact CZ-OE1 2.68Å; R233-E262 VanDerWaalsContact CZ-OE1 3.26Å; R233-E262 IonicContact CZ-OE2 2.6Å; R233-E262 IonicContact NH1-OE1 3.13Å; R233-E262 PolarHBondContact NH1-OE1 3.47Å; R233-E262 IonicContact NH1-OE2 2.75Å; R233-E262 VanDerWaalsContact NH2-CD 3.31Å; R233-E262 IonicContact NH2-OE1 2.95Å; R233-E262 PolarHBondContact NH2-OE1 3.49Å; R233-E262 VanDerWaalsContact NH2-OE1 3.07Å; R233-E262 IonicContact NH2-OE2 3.26Å; R233-E262 PolarHBondContact NH2-OE2 3Å |
| 234 | L | 86.9 | Confident | 81.6 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -32.4 | 175.7 | -73.7 | 175.6 | 0 | 0 | 0 | 112.9 | V230 S231 Q237 Y248 C254 | V230-L234 HydrophobicContact CG1-CD1 3.71Å; V230-L234 HydrophobicContact CG1-CG 4.15Å; V230-L234 WeakPolarHBondContact O-CB 3.35Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 2.93Å; S231-L234 PolarHBondContact O-N 3.35Å; L234-Q237 VanDerWaalsContact CD2-NE2 3.3Å; L234-Q237 WeakPolarHBondContact O-CG 3.37Å; L234-Q237 PolarHBondContact O-NE2 3.28Å; L234-Y248 HydrophobicContact CD2-CD2 4.33Å; L234-Y248 HydrophobicContact CD2-CG 4.27Å; L234-C254 HydrophobicContact CD2-CB 4.22Å; L234-C254 HydrophobicContact CG-CB 4.47Å |
| 235 | Y | 85.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -76.4 | -34.3 | 174 | -82.2 | -68.9 | 0 | 0 | 0 | 112.8 | S122 Y125 L126 T129 Q168 A173 S231 R233 | S122-Y235 PolarHBondContact OG-OH 3.24Å; Y125-Y235 HydrophobicContact CD1-CD1 4.41Å; Y125-Y235 AromaticContact CD1-CD2 3.57Å; Y125-Y235 HydrophobicContact CD1-CD2 3.57Å; Y125-Y235 HydrophobicContact CD1-CE1 4.16Å; Y125-Y235 AromaticContact CD1-CE2 3.3Å; Y125-Y235 HydrophobicContact CD1-CE2 3.3Å; Y125-Y235 HydrophobicContact CD1-CG 4.16Å; Y125-Y235 AromaticContact CD1-CZ 3.64Å; Y125-Y235 AromaticContact CE1-CD2 3.57Å; Y125-Y235 HydrophobicContact CE1-CD2 3.57Å; Y125-Y235 AromaticContact CE1-CE2 3.59Å; Y125-Y235 HydrophobicContact CE1-CE2 3.59Å; Y125-Y235 HydrophobicContact CE1-CG 4.39Å; L126-Y235 HydrophobicContact CB-CD1 3.65Å; L126-Y235 HydrophobicContact CB-CE1 3.88Å; L126-Y235 HydrophobicContact CD1-CD1 3.59Å; L126-Y235 HydrophobicContact CD1-CE1 4.46Å; L126-Y235 HydrophobicContact CD1-CG 4.41Å; L126-Y235 WeakPolarHBondContact CD1-O 3.41Å; L126-Y235 HydrophobicContact CG-CD1 4.21Å; T129-Y235 WeakPolarHBondContact OG1-CB 3.18Å; Q168-Y235 WeakPolarHBondContact O-CD1 3.34Å; Q168-Y235 WeakPolarHBondContact O-CE1 3.34Å; A173-Y235 HydrophobicContact CB-CE2 3.85Å; A173-Y235 WeakPolarHBondContact CB-OH 3.45Å; S231-Y235 WeakPolarHBondContact O-CD2 3.5Å; S231-Y235 PolarHBondContact O-N 2.73Å; R233-Y235 VanDerWaalsContact C-N 3.26Å; R233-Y235 PolarHBondContact O-N 3.03Å |
| 236 | N | 85.8 | Confident | 80 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -86.6 | -22.5 | -177.7 | -164.2 | 65.2 | 0 | 0 | 0 | 114.2 | L36 A133 H143 H145 T232 R233 | L36-N236 HydrophobicContact CD1-CB 4.02Å; L36-N236 HydrophobicContact CD2-CB 3.57Å; L36-N236 HydrophobicContact CG-CB 4.45Å; A133-N236 WeakPolarHBondContact CB-OD1 3.47Å; H143-N236 PolarHBondContact N-ND2 2.93Å; H143-N236 VanDerWaalsContact N-ND2 3.18Å; H143-N236 PolarHBondContact O-ND2 3.33Å; H143-N236 PolarHBondContact O-OD1 3.42Å; H145-N236 PolarHBondContact NE2-O 3.37Å; T232-N236 WeakPolarHBondContact O-CB 3.3Å; T232-N236 PolarHBondContact O-N 2.98Å; R233-N236 PolarHBondContact O-N 2.73Å |
| 237 | Q | 81.1 | Confident | 79.4 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -57.2 | 148.7 | -175.8 | 74.3 | -179.8 | -50.8 | 0 | 0 | 112.6 | R233 L234 G245 L247 Y248 | R233-Q237 WeakPolarHBondContact O-CB 3.45Å; R233-Q237 PolarHBondContact O-N 2.97Å; L234-Q237 VanDerWaalsContact CD2-NE2 3.3Å; L234-Q237 WeakPolarHBondContact O-CG 3.37Å; L234-Q237 PolarHBondContact O-NE2 3.28Å; Q237-G245 VanDerWaalsContact OE1-CA 3.29Å; Q237-L247 HydrophobicContact CB-CB 4.35Å; Q237-L247 HydrophobicContact CB-CD1 4.17Å; Q237-L247 HydrophobicContact CB-CG 4.49Å; Q237-Y248 HydrophobicContact CB-CD2 4.37Å; Q237-Y248 PolarHBondContact OE1-O 3.23Å |
| 238 | P | 77.7 | Confident | 78.9 | Confident | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.104 | 22% | 0.215 | C | C | . | . | trans | -70.2 | 145.9 | 170.9 | 29.1 | -30.5 | 0 | 0 | 0 | 110.4 | H143 Q246 L247 | H143-P238 HydrophobicContact CB-CG 4.49Å; P238-Q246 HydrophobicContact CG-CB 4.28Å; P238-Q246 PolarHBondContact O-N 2.99Å; P238-L247 HydrophobicContact CG-CD1 4.44Å; P238-L247 HydrophobicContact CG-CG 4.38Å | ||
| 239 | V | 71.8 | Confident | 78.3 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -117.8 | 149.3 | 171.1 | -78.3 | 0 | 0 | 0 | 0 | 111.6 | Q161 Q168 R244 | Q161-V239 HydrophobicContact CG-CG2 3.69Å; Q168-V239 HydrophobicContact CG-CG1 4.01Å; V239-R244 WeakPolarHBondContact CA-O 3.43Å; V239-R244 WeakPolarHBondContact CG1-O 3.47Å |
| 240 | D | 72.9 | Confident | 78.1 | Confident | 88 Ų | 88 | 46.7 Ų | 46.7 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | trans | -74.2 | 165.5 | 169.5 | -160.6 | 5.8 | 0 | 0 | 0 | 111.4 | A242 G243 R244 Q246 | D240-A242 PolarHBondContact O-N 3.1Å; D240-G243 PolarHBondContact O-N 3.03Å; D240-R244 PolarHBondContact N-O 2.99Å; D240-Q246 HydrophobicContact CB-CG 4.38Å | ||
| 241 | R | 64 | Low | 77.9 | Confident | 231 Ų | 231 | 48.6 Ų | 48.6 | 87% | 0.872 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.7 | 177.5 | -70.1 | -176.2 | 177.6 | 167.7 | -0.2 | 113.3 | G243 | R241-G243 VanDerWaalsContact C-N 3.29Š|
| 242 | A | 61.3 | Low | 77.8 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 4.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | D240 R244 | D240-A242 PolarHBondContact O-N 3.1Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.32Å |
| 243 | G | 62.8 | Low | 77.8 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 74.3 | 11.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D240 R241 | D240-G243 PolarHBondContact O-N 3.03Å; R241-G243 VanDerWaalsContact C-N 3.29Å |
| 244 | R | 67.8 | Low | 77.8 | Confident | 197 Ų | 197 | 55.9 Ų | 55.9 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | trans | -88.8 | 132.6 | 177.2 | -67.3 | -173.7 | -179.5 | -173.1 | 0.6 | 110.7 | V239 D240 A242 Q246 | V239-R244 WeakPolarHBondContact CA-O 3.43Å; V239-R244 WeakPolarHBondContact CG1-O 3.47Å; D240-R244 PolarHBondContact N-O 2.99Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 3.32Å; R244-Q246 PolarHBondContact O-N 2.85Å | ||
| 245 | G | 72 | Confident | 77.8 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 26% | 0.258 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -59.6 | 121.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q237 L247 | Q237-G245 VanDerWaalsContact OE1-CA 3.29Å; G245-L247 VanDerWaalsContact C-N 3.3Å |
| 246 | Q | 74.8 | Confident | 78.1 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -72 | -29.5 | -179 | -67.5 | 179.3 | -7.2 | 0 | 0 | 111.8 | P238 D240 R244 | P238-Q246 HydrophobicContact CG-CB 4.28Å; P238-Q246 PolarHBondContact O-N 2.99Å; D240-Q246 HydrophobicContact CB-CG 4.38Å; R244-Q246 PolarHBondContact O-N 2.85Å |
| 247 | L | 77.7 | Confident | 78.2 | Confident | 52 Ų | 52 | 64.9 Ų | 64.9 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -94.9 | -39.4 | -177.6 | -61.5 | -180 | 0 | 0 | 0 | 111.9 | L40 Q237 P238 G245 K257 | L40-L247 HydrophobicContact CD1-CB 4.15Å; L40-L247 HydrophobicContact CD1-CD1 4.47Å; L40-L247 HydrophobicContact CD1-CD2 3.86Å; L40-L247 HydrophobicContact CD1-CG 4.38Å; Q237-L247 HydrophobicContact CB-CB 4.35Å; Q237-L247 HydrophobicContact CB-CD1 4.17Å; Q237-L247 HydrophobicContact CB-CG 4.49Å; P238-L247 HydrophobicContact CG-CD1 4.44Å; P238-L247 HydrophobicContact CG-CG 4.38Å; G245-L247 VanDerWaalsContact C-N 3.3Å; L247-K257 PolarHBondContact O-NZ 2.91Å |
| 248 | Y | 81.7 | Confident | 78.6 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | trans | -135.7 | 132.7 | -173.2 | -51.6 | -74.3 | 0 | 0 | 0 | 112.5 | E39 L40 R233 L234 Q237 G250 D253 C254 K257 | E39-Y248 WeakPolarHBondContact CG-OH 3.2Å; E39-Y248 WeakPolarHBondContact OE1-CE2 3.33Å; E39-Y248 PolarHBondContact OE1-OH 3.36Å; L40-Y248 HydrophobicContact CD2-CE1 3.68Å; L40-Y248 HydrophobicContact CG-CE1 4.32Å; L40-Y248 WeakPolarHBondContact CG-OH 3.37Å; R233-Y248 HydrophobicContact CB-CE2 4.15Å; R233-Y248 PolarHBondContact NH1-OH 3.36Å; L234-Y248 HydrophobicContact CD2-CD2 4.33Å; L234-Y248 HydrophobicContact CD2-CG 4.27Å; Q237-Y248 HydrophobicContact CB-CD2 4.37Å; Q237-Y248 PolarHBondContact OE1-O 3.23Å; Y248-G250 VanDerWaalsContact C-N 3.33Å; Y248-D253 WeakPolarHBondContact CA-OD2 3.38Å; Y248-C254 VanDerWaalsContact CD1-CA 3.4Å; Y248-C254 HydrophobicContact CD1-CB 3.53Å; Y248-C254 HydrophobicContact CE1-CB 4.02Å; Y248-C254 VanDerWaalsContact CE1-SG 3.52Å; Y248-C254 HydrophobicContact CG-CB 3.78Å; Y248-K257 HydrophobicContact CD1-CD 3.86Å; Y248-K257 HydrophobicContact CE1-CB 4.2Å; Y248-K257 HydrophobicContact CE1-CD 4.14Å | ||
| 249 | G | 77 | Confident | 79.1 | Confident | 74 Ų | 74 | 71 Ų | 71 | 76% | 0.763 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -80.5 | -10.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D253 | G249-D253 PolarHBondContact N-OD2 3.43Š|
| 250 | G | 84.1 | Confident | 79.8 | Confident | 24 Ų | 24 | 79.9 Ų | 79.9 | 25% | 0.247 | 41% | 0.414 | C | S | . | . | S | Bend | trans | 165.2 | -172.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y248 C254 | Y248-G250 VanDerWaalsContact C-N 3.33Å; G250-C254 VanDerWaalsContact O-CB 3.26Å; G250-C254 WeakPolarHBondContact O-CB 3.02Å; G250-C254 PolarHBondContact O-N 3.49Å |
| 251 | L | 86.1 | Confident | 80.5 | Confident | 41 Ų | 41 | 79.8 Ų | 79.8 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.3 | -50.5 | -179.7 | -178.9 | 80 | 0 | 0 | 0 | 112.3 | P175 F227 V230 C254 M255 | P175-L251 HydrophobicContact CB-CD2 4.44Å; P175-L251 HydrophobicContact CG-CD2 4.05Å; F227-L251 HydrophobicContact CD1-CD1 4.34Å; F227-L251 HydrophobicContact CE1-CD2 4.46Å; V230-L251 HydrophobicContact CB-CD1 4.18Å; V230-L251 HydrophobicContact CG1-CD1 3.42Å; V230-L251 VanDerWaalsContact CG1-CD1 3.42Å; V230-L251 HydrophobicContact CG1-CG 4.33Å; L251-C254 PolarHBondContact O-N 2.94Å; L251-M255 WeakPolarHBondContact O-CB 3.32Å; L251-M255 PolarHBondContact O-N 3.5Å |
| 252 | T | 86.9 | Confident | 81.5 | Confident | 100 Ų | 100 | 69.5 Ų | 69.5 | 61% | 0.613 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.9 | -45.3 | -175.3 | 51 | 0 | 0 | 0 | 0 | 111.7 | C254 M255 V256 | T252-C254 PolarHBondContact O-N 3.36Å; T252-M255 PolarHBondContact O-N 2.84Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.35Å; T252-V256 PolarHBondContact O-N 3.3Å |
| 253 | D | 88.8 | Confident | 82.7 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 175.6 | 179.3 | 49.6 | 0 | 0 | 0 | 111.5 | Y248 G249 V256 K257 | Y248-D253 WeakPolarHBondContact CA-OD2 3.38Å; G249-D253 PolarHBondContact N-OD2 3.43Å; D253-V256 PolarHBondContact O-N 3.45Å; D253-K257 WeakPolarHBondContact O-CB 3.42Å; D253-K257 WeakPolarHBondContact O-CG 3.39Å; D253-K257 PolarHBondContact O-N 3.44Å; D253-K257 WeakPolarHBondContact OD1-CE 3.22Å; D253-K257 IonicContact OD1-NZ 2.73Å; D253-K257 PolarHBondContact OD1-NZ 3.31Å; D253-K257 WeakPolarHBondContact OD2-CE 3.41Å; D253-K257 IonicContact OD2-NZ 3.86Å; D253-K257 PolarHBondContact OD2-NZ 2.87Å |
| 254 | C | 86.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 175.3 | -174.2 | 0 | 0 | 0 | 0 | 112 | V230 L234 Y248 G250 L251 T252 V256 K257 I258 | V230-C254 HydrophobicContact CG1-CB 3.85Å; L234-C254 HydrophobicContact CD2-CB 4.22Å; L234-C254 HydrophobicContact CG-CB 4.47Å; Y248-C254 VanDerWaalsContact CD1-CA 3.4Å; Y248-C254 HydrophobicContact CD1-CB 3.53Å; Y248-C254 HydrophobicContact CE1-CB 4.02Å; Y248-C254 VanDerWaalsContact CE1-SG 3.52Å; Y248-C254 HydrophobicContact CG-CB 3.78Å; G250-C254 VanDerWaalsContact O-CB 3.26Å; G250-C254 WeakPolarHBondContact O-CB 3.02Å; G250-C254 PolarHBondContact O-N 3.49Å; L251-C254 PolarHBondContact O-N 2.94Å; T252-C254 PolarHBondContact O-N 3.36Å; C254-V256 VanDerWaalsContact C-N 3.35Å; C254-V256 PolarHBondContact O-N 2.97Å; C254-K257 PolarHBondContact O-N 2.88Å; C254-I258 VanDerWaalsContact O-CG1 3.22Å; C254-I258 WeakPolarHBondContact O-CG1 3.31Å; C254-I258 PolarHBondContact O-N 2.85Å |
| 255 | M | 88.6 | Confident | 84.7 | Confident | 76 Ų | 76 | 64.2 Ų | 64.2 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 179.1 | -171.2 | 168.1 | 65.6 | 0 | 0 | 112.4 | V230 L251 T252 W259 L267 | V230-M255 HydrophobicContact CG2-CB 4.33Å; L251-M255 WeakPolarHBondContact O-CB 3.32Å; L251-M255 PolarHBondContact O-N 3.5Å; T252-M255 PolarHBondContact O-N 2.84Å; M255-W259 WeakPolarHBondContact O-CB 3.28Å; M255-W259 PolarHBondContact O-N 2.92Å; M255-L267 HydrophobicContact CG-CD1 4.5Å; M255-L267 HydrophobicContact CG-CD2 4.44Å |
| 256 | V | 90.5 | Very high | 85.3 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 39% | 0.394 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 178 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | T252 D253 C254 W259 R260 | T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.35Å; T252-V256 PolarHBondContact O-N 3.3Å; D253-V256 PolarHBondContact O-N 3.45Å; C254-V256 VanDerWaalsContact C-N 3.35Å; C254-V256 PolarHBondContact O-N 2.97Å; V256-W259 PolarHBondContact O-N 3.31Å; V256-R260 HydrophobicContact CG1-CG 4.42Å; V256-R260 WeakPolarHBondContact O-CB 3.37Å; V256-R260 WeakPolarHBondContact O-CG 3.41Å; V256-R260 PolarHBondContact O-N 3.16Å |
| 257 | K | 89.1 | Confident | 85.9 | Confident | 57 Ų | 57 | 58 Ų | 58 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 177.3 | -78.5 | 170.4 | 173.2 | 167.3 | 0 | 111.9 | L40 L247 Y248 D253 C254 W259 R260 Q261 | L40-K257 HydrophobicContact CD2-CB 4.05Å; L40-K257 HydrophobicContact CD2-CD 4.48Å; L247-K257 PolarHBondContact O-NZ 2.91Å; Y248-K257 HydrophobicContact CD1-CD 3.86Å; Y248-K257 HydrophobicContact CE1-CB 4.2Å; Y248-K257 HydrophobicContact CE1-CD 4.14Å; D253-K257 WeakPolarHBondContact O-CB 3.42Å; D253-K257 WeakPolarHBondContact O-CG 3.39Å; D253-K257 PolarHBondContact O-N 3.44Å; D253-K257 WeakPolarHBondContact OD1-CE 3.22Å; D253-K257 IonicContact OD1-NZ 2.73Å; D253-K257 PolarHBondContact OD1-NZ 3.31Å; D253-K257 WeakPolarHBondContact OD2-CE 3.41Å; D253-K257 IonicContact OD2-NZ 3.86Å; D253-K257 PolarHBondContact OD2-NZ 2.87Å; C254-K257 PolarHBondContact O-N 2.88Å; K257-W259 VanDerWaalsContact C-N 3.33Å; K257-W259 PolarHBondContact O-N 3.4Å; K257-R260 PolarHBondContact O-N 3.12Å; K257-Q261 VanDerWaalsContact O-CB 3.31Å; K257-Q261 WeakPolarHBondContact O-CB 3.47Å; K257-Q261 WeakPolarHBondContact O-CG 3.27Å; K257-Q261 PolarHBondContact O-N 3.21Å |
| 258 | I | 87.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 175.4 | -66.8 | 170.9 | 0 | 0 | 0 | 110.1 | V229 V230 C254 R260 E262 G263 A266 L267 | V229-I258 HydrophobicContact CG1-CD1 4.22Å; V230-I258 HydrophobicContact CG2-CD1 3.99Å; C254-I258 VanDerWaalsContact O-CG1 3.22Å; C254-I258 WeakPolarHBondContact O-CG1 3.31Å; C254-I258 PolarHBondContact O-N 2.85Å; I258-R260 VanDerWaalsContact C-N 3.33Å; I258-R260 PolarHBondContact O-N 3.22Å; I258-E262 WeakPolarHBondContact O-CB 3.41Å; I258-E262 PolarHBondContact O-N 3.13Å; I258-G263 PolarHBondContact O-N 3.33Å; I258-G263 VanDerWaalsContact O-N 3.13Å; I258-A266 HydrophobicContact CG2-CB 3.83Å; I258-L267 HydrophobicContact CB-CD2 4.15Å; I258-L267 HydrophobicContact CD1-CD2 4.13Å; I258-L267 HydrophobicContact CG2-CD2 3.7Å; I258-L267 HydrophobicContact CG2-CG 3.89Å |
| 259 | W | 88.8 | Confident | 86.4 | Confident | 151 Ų | 151 | 62.2 Ų | 62.2 | 57% | 0.572 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59 | -44.8 | -179.9 | -171.5 | -75.6 | 0 | 0 | 0 | 112.2 | M255 V256 K257 G263 P264 L267 | M255-W259 WeakPolarHBondContact O-CB 3.28Å; M255-W259 PolarHBondContact O-N 2.92Å; V256-W259 PolarHBondContact O-N 3.31Å; K257-W259 VanDerWaalsContact C-N 3.33Å; K257-W259 PolarHBondContact O-N 3.4Å; W259-G263 VanDerWaalsContact O-CA 3.31Å; W259-G263 WeakPolarHBondContact O-CA 3.44Å; W259-G263 PolarHBondContact O-N 3.33Å; W259-P264 HydrophobicContact CD2-CB 4.25Å; W259-P264 HydrophobicContact CE3-CB 3.98Å; W259-P264 HydrophobicContact CH2-CB 3.73Å; W259-P264 HydrophobicContact CZ2-CB 3.99Å; W259-P264 HydrophobicContact CZ3-CB 3.73Å; W259-L267 HydrophobicContact CE3-CD1 3.85Å; W259-L267 HydrophobicContact CZ3-CD1 4.31Å |
| 260 | R | 86.9 | Confident | 86.6 | Confident | 207 Ų | 207 | 59.3 Ų | 59.3 | 78% | 0.781 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -76.2 | -37.9 | -176.4 | -71.5 | -178.2 | 177.7 | -168.9 | -0 | 113.7 | V256 K257 I258 | V256-R260 HydrophobicContact CG1-CG 4.42Å; V256-R260 WeakPolarHBondContact O-CB 3.37Å; V256-R260 WeakPolarHBondContact O-CG 3.41Å; V256-R260 PolarHBondContact O-N 3.16Å; K257-R260 PolarHBondContact O-N 3.12Å; I258-R260 VanDerWaalsContact C-N 3.33Å; I258-R260 PolarHBondContact O-N 3.22Å |
| 261 | Q | 87 | Confident | 86.7 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -96.6 | -37.5 | -171 | -61 | -179.6 | 14.1 | 0 | 0 | 113.1 | L40 A42 K257 | L40-Q261 PolarHBondContact O-OE1 3.36Å; A42-Q261 WeakPolarHBondContact CA-O 3.19Å; K257-Q261 VanDerWaalsContact O-CB 3.31Å; K257-Q261 WeakPolarHBondContact O-CB 3.47Å; K257-Q261 WeakPolarHBondContact O-CG 3.27Å; K257-Q261 PolarHBondContact O-N 3.21Å |
| 262 | E | 84.8 | Confident | 86.6 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -19.9 | -176.4 | -55.9 | -173.6 | -148.4 | 0 | 0 | 113.2 | G38 L40 R233 I258 A266 K269 | G38-E262 VanDerWaalsContact O-OE1 3.04Å; L40-E262 PolarHBondContact N-OE1 2.56Å; R233-E262 IonicContact CZ-OE1 2.68Å; R233-E262 VanDerWaalsContact CZ-OE1 3.26Å; R233-E262 IonicContact CZ-OE2 2.6Å; R233-E262 IonicContact NH1-OE1 3.13Å; R233-E262 PolarHBondContact NH1-OE1 3.47Å; R233-E262 IonicContact NH1-OE2 2.75Å; R233-E262 VanDerWaalsContact NH2-CD 3.31Å; R233-E262 IonicContact NH2-OE1 2.95Å; R233-E262 PolarHBondContact NH2-OE1 3.49Å; R233-E262 VanDerWaalsContact NH2-OE1 3.07Å; R233-E262 IonicContact NH2-OE2 3.26Å; R233-E262 PolarHBondContact NH2-OE2 3Å; I258-E262 WeakPolarHBondContact O-CB 3.41Å; I258-E262 PolarHBondContact O-N 3.13Å; E262-A266 HydrophobicContact CB-CB 3.38Å; E262-A266 HydrophobicContact CG-CB 4.42Å; E262-A266 WeakPolarHBondContact OE2-CB 3.43Å; E262-K269 IonicContact OE2-NZ 3.07Å; E262-K269 PolarHBondContact OE2-NZ 3.14Å |
| 263 | G | 86.5 | Confident | 86.5 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | trans | 91.6 | 166.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | I258 W259 L265 A266 | I258-G263 PolarHBondContact O-N 3.33Å; I258-G263 VanDerWaalsContact O-N 3.13Å; W259-G263 VanDerWaalsContact O-CA 3.31Å; W259-G263 WeakPolarHBondContact O-CA 3.44Å; W259-G263 PolarHBondContact O-N 3.33Å; G263-L265 VanDerWaalsContact C-N 3.29Å; G263-L265 PolarHBondContact O-N 3.15Å; G263-A266 VanDerWaalsContact O-CB 3.24Å; G263-A266 WeakPolarHBondContact O-CB 3.31Å; G263-A266 PolarHBondContact O-N 3.01Å | ||
| 264 | P | 86.1 | Confident | 86.3 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -64 | -31.1 | -173.4 | 24.6 | -34.9 | 0 | 0 | 0 | 113.5 | W259 A266 L267 | W259-P264 HydrophobicContact CD2-CB 4.25Å; W259-P264 HydrophobicContact CE3-CB 3.98Å; W259-P264 HydrophobicContact CH2-CB 3.73Å; W259-P264 HydrophobicContact CZ2-CB 3.99Å; W259-P264 HydrophobicContact CZ3-CB 3.73Å; P264-A266 PolarHBondContact O-N 3.44Å; P264-L267 PolarHBondContact O-N 3.18Å |
| 265 | L | 86.5 | Confident | 86.3 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 61% | 0.613 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -66.7 | -18.9 | 177.3 | -66.8 | 174.9 | 0 | 0 | 0 | 112.9 | G263 L267 Y268 | G263-L265 VanDerWaalsContact C-N 3.29Å; G263-L265 PolarHBondContact O-N 3.15Å; L265-L267 VanDerWaalsContact C-N 3.29Å; L265-L267 PolarHBondContact O-N 3.03Å; L265-Y268 PolarHBondContact O-N 3Å |
| 266 | A | 84.5 | Confident | 86.2 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -68.4 | -29.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I258 E262 G263 P264 Y268 K269 | I258-A266 HydrophobicContact CG2-CB 3.83Å; E262-A266 HydrophobicContact CB-CB 3.38Å; E262-A266 HydrophobicContact CG-CB 4.42Å; E262-A266 WeakPolarHBondContact OE2-CB 3.43Å; G263-A266 VanDerWaalsContact O-CB 3.24Å; G263-A266 WeakPolarHBondContact O-CB 3.31Å; G263-A266 PolarHBondContact O-N 3.01Å; P264-A266 PolarHBondContact O-N 3.44Å; A266-Y268 PolarHBondContact O-N 2.91Å; A266-K269 HydrophobicContact CB-CD 4.24Å; A266-K269 VanDerWaalsContact O-CB 3.31Å; A266-K269 WeakPolarHBondContact O-CB 3.39Å; A266-K269 VanDerWaalsContact O-CG 3.3Å; A266-K269 WeakPolarHBondContact O-CG 3.2Å; A266-K269 PolarHBondContact O-N 3.09Å; A266-K269 VanDerWaalsContact O-N 3.15Å |
| 267 | L | 87.3 | Confident | 85.9 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -66.4 | -19.3 | 175.3 | -69 | 170.9 | 0 | 0 | 0 | 113 | P226 V229 V230 M255 I258 W259 P264 L265 | P226-L267 WeakPolarHBondContact CA-O 3.45Å; P226-L267 HydrophobicContact CB-CB 4.22Å; V229-L267 WeakPolarHBondContact CG2-O 3.4Å; V230-L267 HydrophobicContact CG2-CD2 4.28Å; M255-L267 HydrophobicContact CG-CD1 4.5Å; M255-L267 HydrophobicContact CG-CD2 4.44Å; I258-L267 HydrophobicContact CB-CD2 4.15Å; I258-L267 HydrophobicContact CD1-CD2 4.13Å; I258-L267 HydrophobicContact CG2-CD2 3.7Å; I258-L267 HydrophobicContact CG2-CG 3.89Å; W259-L267 HydrophobicContact CE3-CD1 3.85Å; W259-L267 HydrophobicContact CZ3-CD1 4.31Å; P264-L267 PolarHBondContact O-N 3.18Å; L265-L267 VanDerWaalsContact C-N 3.29Å; L265-L267 PolarHBondContact O-N 3.03Å |
| 268 | Y | 88.1 | Confident | 85.5 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -102 | 12.1 | 177.5 | -64.1 | -83.1 | 0 | 0 | 0 | 112.8 | V222 L265 A266 G270 L271 | V222-Y268 HydrophobicContact CG1-CE1 4.32Å; L265-Y268 PolarHBondContact O-N 3Å; A266-Y268 PolarHBondContact O-N 2.91Å; Y268-G270 PolarHBondContact O-N 3.07Å; Y268-L271 HydrophobicContact CD1-CD1 4.38Å; Y268-L271 WeakPolarHBondContact O-CB 3.5Å; Y268-L271 PolarHBondContact O-N 3.29Å |
| 269 | K | 82.5 | Confident | 85.3 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 127.7 | 171.5 | -76.9 | 171.7 | 179.7 | 178 | 0 | 109.5 | Q35 Q37 Y46 V229 E262 A266 | Q35-K269 WeakPolarHBondContact CG-O 3.3Å; Q37-K269 PolarHBondContact O-NZ 3.49Å; Y46-K269 PolarHBondContact OH-NZ 2.97Å; V229-K269 WeakPolarHBondContact CG2-O 3.24Å; E262-K269 IonicContact OE2-NZ 3.07Å; E262-K269 PolarHBondContact OE2-NZ 3.14Å; A266-K269 HydrophobicContact CB-CD 4.24Å; A266-K269 VanDerWaalsContact O-CB 3.31Å; A266-K269 WeakPolarHBondContact O-CB 3.39Å; A266-K269 VanDerWaalsContact O-CG 3.3Å; A266-K269 WeakPolarHBondContact O-CG 3.2Å; A266-K269 PolarHBondContact O-N 3.09Å; A266-K269 VanDerWaalsContact O-N 3.15Å |
| 270 | G | 80.3 | Confident | 85 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 12.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y268 A272 P273 A274 | Y268-G270 PolarHBondContact O-N 3.07Å; G270-A272 PolarHBondContact O-N 3.23Å; G270-P273 VanDerWaalsContact C-CD 3.49Å; G270-P273 VanDerWaalsContact O-CD 3.26Å; G270-P273 WeakPolarHBondContact O-CD 3.43Å; G270-P273 VanDerWaalsContact O-CG 3.23Å; G270-P273 WeakPolarHBondContact O-CG 3.49Å; G270-A274 VanDerWaalsContact O-CB 3.26Å; G270-A274 WeakPolarHBondContact O-CB 3.18Å; G270-A274 PolarHBondContact O-N 3.5Å |
| 271 | L | 86.4 | Confident | 85 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -54.5 | -49.8 | 172.6 | -171.1 | 81.9 | 0 | 0 | 0 | 112 | V221 V222 T225 Y268 A274 Y275 | V221-L271 HydrophobicContact CG1-CD1 3.53Å; V221-L271 HydrophobicContact CG1-CG 4.12Å; V222-L271 HydrophobicContact CG2-CD1 4.28Å; T225-L271 HydrophobicContact CG2-CD1 4.34Å; T225-L271 WeakPolarHBondContact OG1-CD1 3.44Å; Y268-L271 HydrophobicContact CD1-CD1 4.38Å; Y268-L271 WeakPolarHBondContact O-CB 3.5Å; Y268-L271 PolarHBondContact O-N 3.29Å; L271-A274 WeakPolarHBondContact O-CB 3.38Å; L271-A274 PolarHBondContact O-N 3.49Å; L271-Y275 PolarHBondContact O-N 3.32Å |
| 272 | A | 85.5 | Confident | 84.8 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 46% | 0.463 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.2 | -53.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G270 A274 Y275 L276 | G270-A272 PolarHBondContact O-N 3.23Å; A272-A274 VanDerWaalsContact C-N 3.28Å; A272-A274 PolarHBondContact O-N 3.33Å; A272-Y275 PolarHBondContact O-N 3.43Å; A272-L276 VanDerWaalsContact O-CB 3.32Å; A272-L276 WeakPolarHBondContact O-CB 3.38Å; A272-L276 WeakPolarHBondContact O-CG 3.44Å; A272-L276 PolarHBondContact O-N 3.4Å |
| 273 | P | 83.5 | Confident | 84.9 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -32.1 | 174.9 | 18.3 | -28.2 | 0 | 0 | 0 | 113.1 | K31 L34 F53 G270 R277 | K31-P273 HydrophobicContact CB-CB 4.01Å; K31-P273 HydrophobicContact CB-CG 4.29Å; K31-P273 HydrophobicContact CG-CB 4.48Å; K31-P273 HydrophobicContact CG-CG 4.42Å; L34-P273 HydrophobicContact CD1-CG 3.97Å; F53-P273 HydrophobicContact CD2-CB 3.58Å; F53-P273 HydrophobicContact CD2-CG 4.27Å; F53-P273 HydrophobicContact CE2-CB 3.63Å; G270-P273 VanDerWaalsContact C-CD 3.49Å; G270-P273 VanDerWaalsContact O-CD 3.26Å; G270-P273 WeakPolarHBondContact O-CD 3.43Å; G270-P273 VanDerWaalsContact O-CG 3.23Å; G270-P273 WeakPolarHBondContact O-CG 3.49Å; P273-R277 WeakPolarHBondContact O-CB 3.37Å; P273-R277 PolarHBondContact O-N 3.36Å |
| 274 | A | 84.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K31 V221 G270 L271 A272 L278 | K31-A274 HydrophobicContact CD-CB 4.2Å; V221-A274 HydrophobicContact CG1-CB 3.97Å; G270-A274 VanDerWaalsContact O-CB 3.26Å; G270-A274 WeakPolarHBondContact O-CB 3.18Å; G270-A274 PolarHBondContact O-N 3.5Å; L271-A274 WeakPolarHBondContact O-CB 3.38Å; L271-A274 PolarHBondContact O-N 3.49Å; A272-A274 VanDerWaalsContact C-N 3.28Å; A272-A274 PolarHBondContact O-N 3.33Å; A274-L278 PolarHBondContact O-N 3.01Å |
| 275 | Y | 87.8 | Confident | 85 | Confident | 70 Ų | 70 | 41.1 Ų | 41.1 | 28% | 0.275 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68 | -47.3 | 176.2 | -177.8 | -103.6 | 0 | 0 | 0 | 112.3 | I218 V221 L271 A272 R277 L278 G279 | I218-Y275 HydrophobicContact CD1-CE2 4.47Å; I218-Y275 HydrophobicContact CG1-CD2 4.17Å; I218-Y275 HydrophobicContact CG1-CE2 3.48Å; I218-Y275 VanDerWaalsContact CG1-CE2 3.48Å; V221-Y275 HydrophobicContact CG2-CD2 4.49Å; L271-Y275 PolarHBondContact O-N 3.32Å; A272-Y275 PolarHBondContact O-N 3.43Å; Y275-R277 PolarHBondContact O-N 3.33Å; Y275-L278 PolarHBondContact O-N 3.06Å; Y275-G279 PolarHBondContact O-N 3.38Å |
| 276 | L | 85.8 | Confident | 84.8 | Confident | 76 Ų | 76 | 39.8 Ų | 39.8 | 40% | 0.398 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.7 | -20.4 | 179.1 | -73.2 | 172.2 | 0 | 0 | 0 | 113.4 | F53 A272 P280 | F53-L276 HydrophobicContact CD1-CD1 3.24Å; F53-L276 HydrophobicContact CE1-CB 4.13Å; F53-L276 HydrophobicContact CE1-CD1 3.41Å; F53-L276 VanDerWaalsContact CE1-CD1 3.41Å; F53-L276 HydrophobicContact CE1-CG 4.39Å; F53-L276 HydrophobicContact CG-CD1 4.01Å; F53-L276 HydrophobicContact CZ-CB 4.32Å; F53-L276 HydrophobicContact CZ-CD1 4.27Å; A272-L276 VanDerWaalsContact O-CB 3.32Å; A272-L276 WeakPolarHBondContact O-CB 3.38Å; A272-L276 WeakPolarHBondContact O-CG 3.44Å; A272-L276 PolarHBondContact O-N 3.4Å; L276-P280 WeakPolarHBondContact O-CD 3.34Å; L276-P280 WeakPolarHBondContact O-CG 3.2Å |
| 277 | R | 85.1 | Confident | 85 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -79.6 | -42.9 | 169.1 | -174.4 | -163.6 | 71.3 | 102.9 | 13.3 | 111.8 | L27 E28 P273 Y275 G279 H281 | L27-R277 HydrophobicContact CB-CB 4.06Å; L27-R277 HydrophobicContact CB-CG 4.21Å; L27-R277 HydrophobicContact CD1-CB 4.2Å; L27-R277 HydrophobicContact CD1-CG 4.45Å; E28-R277 HydrophobicContact CG-CG 4.28Å; E28-R277 IonicContact OE1-CZ 3.57Å; E28-R277 IonicContact OE1-NE 3.41Å; E28-R277 IonicContact OE1-NH1 2.67Å; E28-R277 PolarHBondContact OE1-NH1 3.47Å; P273-R277 WeakPolarHBondContact O-CB 3.37Å; P273-R277 PolarHBondContact O-N 3.36Å; Y275-R277 PolarHBondContact O-N 3.33Å; R277-G279 PolarHBondContact O-N 3.16Å; R277-H281 WeakPolarHBondContact O-CB 3.25Å; R277-H281 PolarHBondContact O-N 3.22Å |
| 278 | L | 79.8 | Confident | 85.1 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | -170.2 | -163.1 | 65.5 | 0 | 0 | 0 | 112.3 | S217 V221 A274 Y275 T282 | S217-L278 WeakPolarHBondContact OG-CD2 3.45Å; V221-L278 HydrophobicContact CG2-CD2 3.78Å; A274-L278 PolarHBondContact O-N 3.01Å; Y275-L278 PolarHBondContact O-N 3.06Å; L278-T282 WeakPolarHBondContact O-CB 3.19Å; L278-T282 PolarHBondContact O-N 3.4Å; L278-T282 PolarHBondContact O-OG1 3.35Å |
| 279 | G | 82.8 | Confident | 85 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -63.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M214 Y275 R277 H281 T282 I283 | M214-G279 VanDerWaalsContact SD-CA 3.52Å; Y275-G279 PolarHBondContact O-N 3.38Å; R277-G279 PolarHBondContact O-N 3.16Å; G279-H281 VanDerWaalsContact C-N 3.26Å; G279-H281 PolarHBondContact O-N 2.85Å; G279-T282 PolarHBondContact O-N 2.83Å; G279-T282 VanDerWaalsContact O-N 3.1Å; G279-I283 WeakPolarHBondContact O-CG1 3.31Å; G279-I283 PolarHBondContact O-N 2.64Å |
| 280 | P | 84.2 | Confident | 85.1 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.1 | -39 | 177.1 | -26.6 | 35.9 | 0 | 0 | 0 | 113 | T24 L276 T282 I283 L284 | T24-P280 HydrophobicContact CG2-CB 4.32Å; L276-P280 WeakPolarHBondContact O-CD 3.34Å; L276-P280 WeakPolarHBondContact O-CG 3.2Å; P280-T282 VanDerWaalsContact C-N 3.34Å; P280-T282 PolarHBondContact O-N 2.88Å; P280-I283 PolarHBondContact O-N 3.47Å; P280-L284 VanDerWaalsContact O-CB 3.24Å; P280-L284 WeakPolarHBondContact O-CB 3.46Å; P280-L284 WeakPolarHBondContact O-CG 3.24Å; P280-L284 PolarHBondContact O-N 3.04Å |
| 281 | H | 86.3 | Confident | 85.5 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -44 | 177.3 | -172.9 | 77 | 0 | 0 | 0 | 111.8 | T24 R277 G279 S285 | T24-H281 HydrophobicContact CG2-CB 3.82Å; T24-H281 PolarHBondContact OG1-ND1 2.94Å; R277-H281 WeakPolarHBondContact O-CB 3.25Å; R277-H281 PolarHBondContact O-N 3.22Å; G279-H281 VanDerWaalsContact C-N 3.26Å; G279-H281 PolarHBondContact O-N 2.85Å; H281-S285 VanDerWaalsContact O-CB 3.25Å; H281-S285 WeakPolarHBondContact O-CB 3.31Å; H281-S285 PolarHBondContact O-N 2.95Å; H281-S285 PolarHBondContact O-OG 2.66Å |
| 282 | T | 83.6 | Confident | 85.5 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 27% | 0.27 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.9 | -46.8 | -179.4 | -55.7 | 0 | 0 | 0 | 0 | 111 | L278 G279 P280 S285 M286 | L278-T282 WeakPolarHBondContact O-CB 3.19Å; L278-T282 PolarHBondContact O-N 3.4Å; L278-T282 PolarHBondContact O-OG1 3.35Å; G279-T282 PolarHBondContact O-N 2.83Å; G279-T282 VanDerWaalsContact O-N 3.1Å; P280-T282 VanDerWaalsContact C-N 3.34Å; P280-T282 PolarHBondContact O-N 2.88Å; T282-S285 PolarHBondContact O-N 3.49Å; T282-M286 HydrophobicContact CG2-CE 4.32Å; T282-M286 HydrophobicContact CG2-SD 4.35Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 3.38Å |
| 283 | I | 85.2 | Confident | 85.5 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 29% | 0.292 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.5 | -50.5 | 179.1 | -65.7 | 166.5 | 0 | 0 | 0 | 110.3 | L210 G279 P280 S285 M286 L287 | L210-I283 HydrophobicContact CD1-CD1 4.31Å; L210-I283 HydrophobicContact CD1-CG1 3.53Å; L210-I283 HydrophobicContact CD2-CD1 4.37Å; L210-I283 HydrophobicContact CD2-CG1 4.16Å; L210-I283 HydrophobicContact CG-CG1 4.47Å; G279-I283 WeakPolarHBondContact O-CG1 3.31Å; G279-I283 PolarHBondContact O-N 2.64Å; P280-I283 PolarHBondContact O-N 3.47Å; I283-S285 PolarHBondContact O-N 3.4Å; I283-M286 PolarHBondContact O-N 2.86Å; I283-L287 HydrophobicContact CG2-CD1 3.82Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CB 3.31Å; I283-L287 VanDerWaalsContact O-CG 3.29Å; I283-L287 WeakPolarHBondContact O-CG 3.45Å; I283-L287 PolarHBondContact O-N 2.94Å |
| 284 | L | 88.1 | Confident | 85.6 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 23% | 0.225 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | -179.6 | -70.1 | 171.4 | 0 | 0 | 0 | 112.1 | A20 F23 P280 M286 L287 F288 | A20-L284 HydrophobicContact CB-CB 3.83Å; F23-L284 HydrophobicContact CB-CD1 3.61Å; F23-L284 HydrophobicContact CD2-CD1 4.32Å; F23-L284 HydrophobicContact CG-CD1 4.09Å; P280-L284 VanDerWaalsContact O-CB 3.24Å; P280-L284 WeakPolarHBondContact O-CB 3.46Å; P280-L284 WeakPolarHBondContact O-CG 3.24Å; P280-L284 PolarHBondContact O-N 3.04Å; L284-M286 VanDerWaalsContact C-N 3.32Å; L284-M286 PolarHBondContact O-N 3Å; L284-L287 PolarHBondContact O-N 3.37Å; L284-F288 HydrophobicContact CB-CD2 4.25Å; L284-F288 HydrophobicContact CB-CE2 3.97Å; L284-F288 HydrophobicContact CD2-CE2 4.26Å; L284-F288 HydrophobicContact CD2-CZ 4.37Å; L284-F288 WeakPolarHBondContact O-CB 3.42Å; L284-F288 WeakPolarHBondContact O-CD2 3.46Å; L284-F288 VanDerWaalsContact O-CG 3.31Å; L284-F288 WeakPolarHBondContact O-CG 2.87Å; L284-F288 PolarHBondContact O-N 2.68Å |
| 285 | S | 86.6 | Confident | 85.7 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 178.3 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | A16 A20 H281 T282 I283 W289 | A16-S285 WeakPolarHBondContact CB-O 3.37Å; A20-S285 WeakPolarHBondContact CB-OG 3.16Å; H281-S285 VanDerWaalsContact O-CB 3.25Å; H281-S285 WeakPolarHBondContact O-CB 3.31Å; H281-S285 PolarHBondContact O-N 2.95Å; H281-S285 PolarHBondContact O-OG 2.66Å; T282-S285 PolarHBondContact O-N 3.49Å; I283-S285 PolarHBondContact O-N 3.4Å; S285-W289 VanDerWaalsContact O-CB 3.22Å; S285-W289 WeakPolarHBondContact O-CB 3.22Å; S285-W289 PolarHBondContact O-N 3.34Å |
| 286 | M | 84.1 | Confident | 85.5 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 43% | 0.433 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.2 | -47.7 | 176.4 | -74.1 | -178.4 | 167.5 | 0 | 0 | 111.7 | T282 I283 L284 F288 W289 D290 | T282-M286 HydrophobicContact CG2-CE 4.32Å; T282-M286 HydrophobicContact CG2-SD 4.35Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 3.38Å; I283-M286 PolarHBondContact O-N 2.86Å; L284-M286 VanDerWaalsContact C-N 3.32Å; L284-M286 PolarHBondContact O-N 3Å; M286-F288 VanDerWaalsContact C-N 3.35Å; M286-F288 PolarHBondContact O-N 3.26Å; M286-W289 PolarHBondContact O-N 3.48Å; M286-W289 VanDerWaalsContact O-N 3.15Å; M286-D290 PolarHBondContact O-N 3.05Å |
| 287 | L | 86.9 | Confident | 85.3 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 45% | 0.445 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 177.5 | -74.3 | 174.9 | 0 | 0 | 0 | 111.8 | I283 L284 W289 D290 E291 | I283-L287 HydrophobicContact CG2-CD1 3.82Å; I283-L287 HydrophobicContact CG2-CG 4.36Å; I283-L287 WeakPolarHBondContact O-CB 3.31Å; I283-L287 VanDerWaalsContact O-CG 3.29Å; I283-L287 WeakPolarHBondContact O-CG 3.45Å; I283-L287 PolarHBondContact O-N 2.94Å; L284-L287 PolarHBondContact O-N 3.37Å; L287-W289 VanDerWaalsContact C-N 3.34Å; L287-W289 PolarHBondContact O-N 2.93Å; L287-D290 PolarHBondContact O-N 3.44Å; L287-E291 WeakPolarHBondContact O-CG 3.37Å; L287-E291 PolarHBondContact O-N 3.18Å |
| 288 | F | 90.1 | Very high | 85.1 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 22% | 0.219 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 177.6 | -68.9 | -45 | 0 | 0 | 0 | 112.1 | A16 L19 A20 F23 L284 M286 L292 | A16-F288 HydrophobicContact CB-CB 3.73Å; L19-F288 HydrophobicContact CB-CD2 3.54Å; L19-F288 HydrophobicContact CB-CE2 3.76Å; L19-F288 HydrophobicContact CB-CG 4.01Å; L19-F288 HydrophobicContact CB-CZ 4.39Å; L19-F288 HydrophobicContact CD1-CB 4.34Å; L19-F288 HydrophobicContact CD1-CD1 4.37Å; L19-F288 HydrophobicContact CD1-CG 4.2Å; A20-F288 HydrophobicContact CB-CD2 4.35Å; F23-F288 HydrophobicContact CD2-CE2 4.07Å; F23-F288 HydrophobicContact CD2-CZ 4.12Å; F23-F288 HydrophobicContact CE2-CE2 4.04Å; F23-F288 AromaticContact CE2-CZ 3.65Å; F23-F288 HydrophobicContact CE2-CZ 3.65Å; L284-F288 HydrophobicContact CB-CD2 4.25Å; L284-F288 HydrophobicContact CB-CE2 3.97Å; L284-F288 HydrophobicContact CD2-CE2 4.26Å; L284-F288 HydrophobicContact CD2-CZ 4.37Å; L284-F288 WeakPolarHBondContact O-CB 3.42Å; L284-F288 WeakPolarHBondContact O-CD2 3.46Å; L284-F288 VanDerWaalsContact O-CG 3.31Å; L284-F288 WeakPolarHBondContact O-CG 2.87Å; L284-F288 PolarHBondContact O-N 2.68Å; M286-F288 VanDerWaalsContact C-N 3.35Å; M286-F288 PolarHBondContact O-N 3.26Å; F288-L292 WeakPolarHBondContact O-CB 3.18Å; F288-L292 WeakPolarHBondContact O-CG 3.45Å; F288-L292 PolarHBondContact O-N 3.31Å |
| 289 | W | 86.7 | Confident | 85 | Confident | 76 Ų | 76 | 60 Ų | 60 | 29% | 0.288 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.8 | 177.9 | 68.6 | 0 | 0 | 0 | 111.9 | D9 A16 S285 M286 L287 L292 R293 | D9-W289 VanDerWaalsContact OD1-CE2 3.31Å; D9-W289 WeakPolarHBondContact OD1-CZ2 3.32Å; D9-W289 PolarHBondContact OD1-NE1 3.33Å; A16-W289 HydrophobicContact CB-CB 3.84Å; S285-W289 VanDerWaalsContact O-CB 3.22Å; S285-W289 WeakPolarHBondContact O-CB 3.22Å; S285-W289 PolarHBondContact O-N 3.34Å; M286-W289 PolarHBondContact O-N 3.48Å; M286-W289 VanDerWaalsContact O-N 3.15Å; L287-W289 VanDerWaalsContact C-N 3.34Å; L287-W289 PolarHBondContact O-N 2.93Å; W289-L292 PolarHBondContact O-N 3.47Å; W289-R293 VanDerWaalsContact CZ2-CD 3.5Å; W289-R293 WeakPolarHBondContact O-CB 3.22Å; W289-R293 WeakPolarHBondContact O-CG 3.37Å; W289-R293 PolarHBondContact O-N 3.49Å |
| 290 | D | 85 | Confident | 84.3 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.6 | -78.4 | -20.3 | 0 | 0 | 0 | 111.9 | M286 L287 R293 K294 | M286-D290 PolarHBondContact O-N 3.05Å; L287-D290 PolarHBondContact O-N 3.44Å; D290-R293 PolarHBondContact O-N 2.9Å; D290-K294 VanDerWaalsContact O-CG 3.3Å; D290-K294 WeakPolarHBondContact O-CG 3.45Å; D290-K294 PolarHBondContact O-N 2.94Å |
| 291 | E | 87.3 | Confident | 83.1 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 177.7 | -72.2 | -54.5 | 130.4 | 0 | 0 | 112.3 | L287 R293 K294 L295 | L287-E291 WeakPolarHBondContact O-CG 3.37Å; L287-E291 PolarHBondContact O-N 3.18Å; E291-R293 VanDerWaalsContact C-N 3.33Å; E291-R293 PolarHBondContact O-N 2.69Å; E291-K294 PolarHBondContact O-N 3.47Å; E291-K294 IonicContact OE1-NZ 2.77Å; E291-K294 PolarHBondContact OE1-NZ 3.09Å; E291-L295 WeakPolarHBondContact O-CG 3.3Å; E291-L295 PolarHBondContact O-N 3.06Å |
| 292 | L | 87.8 | Confident | 81.8 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 176 | -76.1 | 174 | 0 | 0 | 0 | 112 | L12 A16 L19 F288 W289 L295 A296 | L12-L292 HydrophobicContact CB-CB 4.12Å; L12-L292 HydrophobicContact CD2-CB 3.78Å; L12-L292 HydrophobicContact CD2-CD2 4.46Å; L12-L292 HydrophobicContact CG-CB 4.35Å; L12-L292 WeakPolarHBondContact O-CD1 3.21Å; A16-L292 HydrophobicContact CB-CD1 4.14Å; L19-L292 HydrophobicContact CD1-CD1 4.33Å; F288-L292 WeakPolarHBondContact O-CB 3.18Å; F288-L292 WeakPolarHBondContact O-CG 3.45Å; F288-L292 PolarHBondContact O-N 3.31Å; W289-L292 PolarHBondContact O-N 3.47Å; L292-L295 PolarHBondContact O-N 3.03Å; L292-A296 WeakPolarHBondContact O-CB 3.42Å; L292-A296 PolarHBondContact O-N 3.19Å |
| 293 | R | 84.9 | Confident | 80.4 | Confident | 67 Ų | 67 | 76.6 Ų | 76.6 | 25% | 0.253 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 173.7 | -84.5 | -177.1 | 139.7 | -151.4 | -1.6 | 112.5 | D9 L12 W289 D290 E291 L295 A296 G297 | D9-R293 IonicContact OD1-CZ 3.39Å; D9-R293 IonicContact OD1-NE 3.58Å; D9-R293 PolarHBondContact OD1-NE 2.87Å; D9-R293 IonicContact OD1-NH2 3.37Å; D9-R293 PolarHBondContact OD1-NH2 3.4Å; D9-R293 IonicContact OD2-CZ 3.47Å; D9-R293 IonicContact OD2-NE 2.73Å; D9-R293 IonicContact OD2-NH2 2.7Å; D9-R293 PolarHBondContact OD2-NH2 3.31Å; L12-R293 HydrophobicContact CD1-CG 3.97Å; W289-R293 VanDerWaalsContact CZ2-CD 3.5Å; W289-R293 WeakPolarHBondContact O-CB 3.22Å; W289-R293 WeakPolarHBondContact O-CG 3.37Å; W289-R293 PolarHBondContact O-N 3.49Å; D290-R293 PolarHBondContact O-N 2.9Å; E291-R293 VanDerWaalsContact C-N 3.33Å; E291-R293 PolarHBondContact O-N 2.69Å; R293-L295 VanDerWaalsContact C-N 3.3Å; R293-L295 PolarHBondContact O-N 2.74Å; R293-A296 PolarHBondContact O-N 2.96Å; R293-G297 PolarHBondContact O-N 3.45Å |
| 294 | K | 86.2 | Confident | 78.5 | Confident | 105 Ų | 105 | 81.9 Ų | 81.9 | 46% | 0.457 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 176.3 | -70.7 | 170.6 | -165.2 | 169 | 0 | 111.4 | D290 E291 R298 | D290-K294 VanDerWaalsContact O-CG 3.3Å; D290-K294 WeakPolarHBondContact O-CG 3.45Å; D290-K294 PolarHBondContact O-N 2.94Å; E291-K294 PolarHBondContact O-N 3.47Å; E291-K294 IonicContact OE1-NZ 2.77Å; E291-K294 PolarHBondContact OE1-NZ 3.09Å; K294-R298 WeakPolarHBondContact O-CG 3.15Å; K294-R298 PolarHBondContact O-N 3.29Å; K294-R298 VanDerWaalsContact O-N 3.1Å |
| 295 | L | 86.6 | Confident | 78 | Confident | 96 Ų | 96 | 83.8 Ų | 83.8 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.6 | -70.6 | 170.9 | 0 | 0 | 0 | 111.9 | E291 L292 R293 R298 A299 | E291-L295 WeakPolarHBondContact O-CG 3.3Å; E291-L295 PolarHBondContact O-N 3.06Å; L292-L295 PolarHBondContact O-N 3.03Å; R293-L295 VanDerWaalsContact C-N 3.3Å; R293-L295 PolarHBondContact O-N 2.74Å; L295-R298 PolarHBondContact O-N 3.39Å; L295-A299 PolarHBondContact O-N 2.98Å |
| 296 | A | 83.7 | Confident | 77.6 | Confident | 19 Ų | 19 | 87.4 Ų | 87.4 | 16% | 0.157 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L12 L292 R293 A299 Q300 | L12-A296 HydrophobicContact CD1-CB 3.83Å; L292-A296 WeakPolarHBondContact O-CB 3.42Å; L292-A296 PolarHBondContact O-N 3.19Å; R293-A296 PolarHBondContact O-N 2.96Å; A296-A299 PolarHBondContact O-N 3.43Å; A296-Q300 PolarHBondContact O-N 3.31Å; A296-Q300 VanDerWaalsContact O-N 3.08Å |
| 297 | G | 81.3 | Confident | 77.2 | Confident | 3 Ų | 3 | 87.4 Ų | 87.4 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R293 A299 Q300 H301 | R293-G297 PolarHBondContact O-N 3.45Å; G297-A299 VanDerWaalsContact C-N 3.35Å; G297-A299 PolarHBondContact O-N 2.83Å; G297-Q300 PolarHBondContact O-N 3Å; G297-H301 PolarHBondContact O-CD2 3.35Å; G297-H301 PolarHBondContact O-N 2.85Å |
| 298 | R | 81.3 | Confident | 76.6 | Confident | 162 Ų | 162 | 87.5 Ų | 87.5 | 61% | 0.611 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.1 | -39.1 | 175.1 | -71.9 | 173.7 | -175.9 | 172.5 | 2.5 | 113.1 | K294 L295 Q300 H301 Q302 | K294-R298 WeakPolarHBondContact O-CG 3.15Å; K294-R298 PolarHBondContact O-N 3.29Å; K294-R298 VanDerWaalsContact O-N 3.1Å; L295-R298 PolarHBondContact O-N 3.39Å; R298-Q300 VanDerWaalsContact C-N 3.34Å; R298-H301 PolarHBondContact O-N 3.5Å; R298-Q302 PolarHBondContact O-N 3.35Å |
| 299 | A | 76.5 | Confident | 75.8 | Confident | 62 Ų | 62 | 89.9 Ų | 89.9 | 51% | 0.512 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.6 | -34 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L295 A296 G297 Q302 G303 | L295-A299 PolarHBondContact O-N 2.98Å; A296-A299 PolarHBondContact O-N 3.43Å; G297-A299 VanDerWaalsContact C-N 3.35Å; G297-A299 PolarHBondContact O-N 2.83Å; A299-Q302 PolarHBondContact O-N 3.11Å; A299-G303 PolarHBondContact O-N 3.4Å |
| 300 | Q | 67.8 | Low | 75.1 | Confident | 114 Ų | 114 | 90.8 Ų | 90.8 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 174.3 | -75.5 | 179.9 | -80.3 | 0 | 0 | 112.5 | A296 G297 R298 | A296-Q300 PolarHBondContact O-N 3.31Å; A296-Q300 VanDerWaalsContact O-N 3.08Å; G297-Q300 PolarHBondContact O-N 3Å; R298-Q300 VanDerWaalsContact C-N 3.34Å |
| 301 | H | 60.3 | Low | 74.4 | Confident | 119 Ų | 119 | 92.3 Ų | 92.3 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.9 | -25.9 | 176.1 | -83.7 | -77.5 | 0 | 0 | 0 | 114.4 | E2 G297 R298 T304 | E2-H301 IonicContact OE1-CD2 3.61Å; E2-H301 IonicContact OE1-CE1 2.66Å; E2-H301 IonicContact OE1-NE2 2.75Å; E2-H301 PolarHBondContact OE1-NE2 3.47Å; G297-H301 PolarHBondContact O-CD2 3.35Å; G297-H301 PolarHBondContact O-N 2.85Å; R298-H301 PolarHBondContact O-N 3.5Å; H301-T304 PolarHBondContact O-OG1 3.26Å |
| 302 | Q | 58.7 | Low | 73.4 | Confident | 174 Ų | 174 | 92.2 Ų | 92.2 | 81% | 0.813 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -84.2 | -13.1 | 176.3 | -74.3 | -177.4 | -17.3 | 0 | 0 | 113.4 | R298 A299 | R298-Q302 PolarHBondContact O-N 3.35Å; A299-Q302 PolarHBondContact O-N 3.11Å |
| 303 | G | 53.4 | Low | 72.2 | Confident | 71 Ų | 71 | 96.7 Ų | 96.7 | 73% | 0.732 | 52% | 0.515 | S | S | * | . | trans | -97.2 | 2.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | A299 | A299-G303 PolarHBondContact O-N 3.4Š| ||
| 304 | T | 45.3 | Very low | 71 | Confident | 168 Ų | 168 | 99.4 Ų | 99.4 | 100% | 1.031 | 54% | 0.539 | S | S | * | . | trans | -113.6 | 0 | 173.4 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | H301 | H301-T304 PolarHBondContact O-OG1 3.26Š|
Retrieved 304 of 304 residues in 141.8 ms
(Link to these results)