| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.5 | Very low | 65 | Low | 213 Ų | 213 | 89.3 Ų | 89.3 | 100% | 1.049 | 52% | 0.518 | S | S | * | . | 0 | 128.7 | 0 | -66.9 | 177.6 | -171.2 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 3.1Š| |||
| 2 | A | 35.9 | Very low | 67 | Low | 53 Ų | 53 | 85.1 Ų | 85.1 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | trans | -55.9 | 137.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | T4 | A2-T4 PolarHBondContact O-N 3.31Š| ||
| 3 | S | 47.3 | Very low | 68.6 | Low | 111 Ų | 111 | 82.4 Ų | 82.4 | 78% | 0.776 | 48% | 0.478 | S | S | * | . | trans | -53.3 | 106.1 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | M1 | M1-S3 PolarHBondContact O-N 3.1Š| ||
| 4 | T | 62.5 | Low | 70 | Confident | 70 Ų | 70 | 79.6 Ų | 79.6 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | trans | -61.1 | 144.8 | 171.7 | 59.1 | 0 | 0 | 0 | 0 | 107.2 | A2 L6 | A2-T4 PolarHBondContact O-N 3.31Å; T4-L6 PolarHBondContact O-N 3.38Å; T4-L6 PolarHBondContact OG1-O 3.01Å | ||
| 5 | T | 71.6 | Confident | 71.4 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -75.3 | -17.2 | 169.8 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | G7 N8 L11 T299 C300 E303 | T5-G7 PolarHBondContact O-N 3.25Å; T5-N8 PolarHBondContact O-N 3.17Å; T5-N8 VanDerWaalsContact O-N 3.09Å; T5-L11 HydrophobicContact CG2-CD2 4.21Å; T5-T299 HydrophobicContact CG2-CG2 4.24Å; T5-C300 HydrophobicContact CG2-CB 4.13Å; T5-C300 WeakPolarHBondContact OG1-CA 3.37Å; T5-C300 WeakPolarHBondContact OG1-CB 3.35Å; T5-E303 WeakPolarHBondContact CB-OE2 3.33Å; T5-E303 PolarHBondContact N-OE2 3.13Å; T5-E303 PolarHBondContact OG1-OE2 3.28Å |
| 6 | L | 65.7 | Low | 72.8 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 33% | 0.325 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 119.2 | 169.1 | -58.7 | 175.4 | 0 | 0 | 0 | 109.9 | T4 E303 | T4-L6 PolarHBondContact O-N 3.38Å; T4-L6 PolarHBondContact OG1-O 3.01Å; L6-E303 HydrophobicContact CD2-CB 4.4Å |
| 7 | G | 64.4 | Low | 73.8 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.3 | -8.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T5 E9 | T5-G7 PolarHBondContact O-N 3.25Å; G7-E9 PolarHBondContact O-N 3.44Å |
| 8 | N | 82.1 | Confident | 74.7 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | trans | -93.1 | 89.5 | 173 | -171.1 | -24.9 | 0 | 0 | 0 | 111.1 | T5 E10 L11 K12 | T5-N8 PolarHBondContact O-N 3.17Å; T5-N8 VanDerWaalsContact O-N 3.09Å; N8-E10 VanDerWaalsContact C-N 3.34Å; N8-E10 PolarHBondContact O-N 3.11Å; N8-E10 PolarHBondContact OD1-N 3.23Å; N8-L11 HydrophobicContact CB-CB 4Å; N8-L11 VanDerWaalsContact CG-CB 3.43Å; N8-L11 PolarHBondContact O-N 2.78Å; N8-L11 WeakPolarHBondContact OD1-CB 3.46Å; N8-L11 PolarHBondContact OD1-N 3.34Å; N8-K12 VanDerWaalsContact O-CB 3.29Å; N8-K12 WeakPolarHBondContact O-CB 3.19Å; N8-K12 PolarHBondContact O-N 3.14Å | ||
| 9 | E | 82.7 | Confident | 75.7 | Confident | 124 Ų | 124 | 64 Ų | 64 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.2 | -33.3 | -176.1 | -70.6 | -59.5 | 140.8 | 0 | 0 | 113.8 | G7 S13 | G7-E9 PolarHBondContact O-N 3.44Å; E9-S13 WeakPolarHBondContact O-CB 3.42Å; E9-S13 PolarHBondContact O-N 2.93Å |
| 10 | E | 84 | Confident | 76.5 | Confident | 172 Ų | 172 | 60.8 Ų | 60.8 | 80% | 0.804 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.6 | -47.3 | 177.1 | -69.2 | -177.7 | 175.4 | 0 | 0 | 111.2 | N8 S13 H14 | N8-E10 VanDerWaalsContact C-N 3.34Å; N8-E10 PolarHBondContact O-N 3.11Å; N8-E10 PolarHBondContact OD1-N 3.23Å; E10-S13 PolarHBondContact O-N 2.83Å; E10-H14 PolarHBondContact O-N 3.27Å |
| 11 | L | 86.7 | Confident | 77.1 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 175 | 179.5 | 63 | 0 | 0 | 0 | 110.8 | T5 N8 S13 H14 V15 A292 V296 Q297 C300 | T5-L11 HydrophobicContact CG2-CD2 4.21Å; N8-L11 HydrophobicContact CB-CB 4Å; N8-L11 VanDerWaalsContact CG-CB 3.43Å; N8-L11 PolarHBondContact O-N 2.78Å; N8-L11 WeakPolarHBondContact OD1-CB 3.46Å; N8-L11 PolarHBondContact OD1-N 3.34Å; L11-S13 PolarHBondContact O-N 3.49Å; L11-H14 WeakPolarHBondContact O-CB 3.49Å; L11-H14 PolarHBondContact O-N 3.48Å; L11-H14 VanDerWaalsContact O-N 3.13Å; L11-V15 HydrophobicContact CD1-CG2 3.89Å; L11-V15 HydrophobicContact CG-CG2 4.09Å; L11-V15 WeakPolarHBondContact O-CB 3.22Å; L11-V15 WeakPolarHBondContact O-CG2 3.17Å; L11-V15 PolarHBondContact O-N 3.26Å; L11-A292 HydrophobicContact CD1-CB 3.63Å; L11-V296 HydrophobicContact CD2-CG1 3.95Å; L11-Q297 HydrophobicContact CD1-CG 4.26Å; L11-C300 HydrophobicContact CD2-CB 4.14Å; L11-C300 HydrophobicContact CG-CB 4.37Å |
| 12 | K | 88.8 | Confident | 79.8 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.5 | -48.5 | 178.6 | -178.8 | -178.8 | 179.2 | -172.7 | 0 | 111.7 | N8 H14 V15 Y16 F128 H304 | N8-K12 VanDerWaalsContact O-CB 3.29Å; N8-K12 WeakPolarHBondContact O-CB 3.19Å; N8-K12 PolarHBondContact O-N 3.14Å; K12-H14 VanDerWaalsContact C-N 3.34Å; K12-H14 PolarHBondContact O-N 2.79Å; K12-V15 PolarHBondContact O-N 3.01Å; K12-Y16 WeakPolarHBondContact O-CB 3.4Å; K12-Y16 PolarHBondContact O-N 3.16Å; K12-F128 VanDerWaalsContact CE-O 3.25Å; K12-F128 WeakPolarHBondContact CE-O 3.19Å; K12-F128 HydrophobicContact CG-CD1 3.58Å; K12-F128 HydrophobicContact CG-CE1 3.97Å; K12-F128 PolarHBondContact NZ-O 2.85Å; K12-F128 WeakPolarHBondContact O-CE1 3.43Å; K12-H304 WeakPolarHBondContact CD-NE2 3.3Å |
| 13 | S | 87.4 | Confident | 82.4 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | E9 E10 L11 K17 | E9-S13 WeakPolarHBondContact O-CB 3.42Å; E9-S13 PolarHBondContact O-N 2.93Å; E10-S13 PolarHBondContact O-N 2.83Å; L11-S13 PolarHBondContact O-N 3.49Å; S13-K17 WeakPolarHBondContact O-CG 3.33Å; S13-K17 PolarHBondContact O-N 2.92Å |
| 14 | H | 88.2 | Confident | 84.5 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.7 | -48.3 | 176.4 | -171.9 | 80.9 | 0 | 0 | 0 | 112.2 | E10 L11 K12 Y16 K17 K18 V291 Q297 | E10-H14 PolarHBondContact O-N 3.27Å; L11-H14 WeakPolarHBondContact O-CB 3.49Å; L11-H14 PolarHBondContact O-N 3.48Å; L11-H14 VanDerWaalsContact O-N 3.13Å; K12-H14 VanDerWaalsContact C-N 3.34Å; K12-H14 PolarHBondContact O-N 2.79Å; H14-Y16 VanDerWaalsContact C-N 3.31Å; H14-Y16 PolarHBondContact O-N 2.81Å; H14-K17 PolarHBondContact O-N 3.39Å; H14-K17 VanDerWaalsContact O-N 3.12Å; H14-K18 VanDerWaalsContact CE1-CE 3.5Å; H14-K18 WeakPolarHBondContact CE1-CE 3.48Å; H14-K18 WeakPolarHBondContact NE2-CE 3.46Å; H14-K18 PolarHBondContact O-N 3.06Å; H14-V291 WeakPolarHBondContact CE1-CG1 3.5Å; H14-Q297 PolarHBondContact NE2-NE2 2.86Å |
| 15 | V | 91.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 179.5 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | L11 K12 K17 K18 T19 F128 Q297 C300 L301 | L11-V15 HydrophobicContact CD1-CG2 3.89Å; L11-V15 HydrophobicContact CG-CG2 4.09Å; L11-V15 WeakPolarHBondContact O-CB 3.22Å; L11-V15 WeakPolarHBondContact O-CG2 3.17Å; L11-V15 PolarHBondContact O-N 3.26Å; K12-V15 PolarHBondContact O-N 3.01Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.41Å; V15-K18 PolarHBondContact O-N 3.42Å; V15-T19 VanDerWaalsContact O-CB 3.29Å; V15-T19 WeakPolarHBondContact O-CB 3.26Å; V15-T19 PolarHBondContact O-N 2.73Å; V15-T19 PolarHBondContact O-OG1 2.77Å; V15-F128 HydrophobicContact CB-CE1 4.29Å; V15-F128 HydrophobicContact CB-CZ 4.43Å; V15-F128 HydrophobicContact CG1-CE1 4.2Å; V15-F128 HydrophobicContact CG1-CZ 3.86Å; V15-Q297 WeakPolarHBondContact CG1-O 3.42Å; V15-Q297 HydrophobicContact CG2-CB 3.74Å; V15-Q297 HydrophobicContact CG2-CG 3.88Å; V15-C300 HydrophobicContact CG2-CB 4Å; V15-L301 HydrophobicContact CG1-CB 3.84Å |
| 16 | Y | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.2 | -49.5 | 173.2 | 165.7 | -99.8 | 0 | 0 | 0 | 112.1 | K12 H14 T19 L20 I124 F128 L130 H135 H138 | K12-Y16 WeakPolarHBondContact O-CB 3.4Å; K12-Y16 PolarHBondContact O-N 3.16Å; H14-Y16 VanDerWaalsContact C-N 3.31Å; H14-Y16 PolarHBondContact O-N 2.81Å; Y16-T19 PolarHBondContact O-N 3.29Å; Y16-L20 HydrophobicContact CD1-CD1 4.43Å; Y16-L20 HydrophobicContact CD2-CD1 4.41Å; Y16-L20 HydrophobicContact CD2-CG 4.48Å; Y16-L20 HydrophobicContact CE1-CD1 3.66Å; Y16-L20 HydrophobicContact CE2-CD1 3.67Å; Y16-L20 HydrophobicContact CE2-CG 4.04Å; Y16-L20 PolarHBondContact O-N 3.47Å; Y16-L20 VanDerWaalsContact OH-CD1 3.29Å; Y16-L20 WeakPolarHBondContact OH-CD1 3.41Å; Y16-I124 HydrophobicContact CD2-CG2 3.72Å; Y16-I124 HydrophobicContact CE2-CG2 3.84Å; Y16-F128 HydrophobicContact CD2-CB 3.92Å; Y16-F128 HydrophobicContact CD2-CD2 4.07Å; Y16-F128 AromaticContact CD2-CG 3.95Å; Y16-F128 HydrophobicContact CD2-CG 3.95Å; Y16-F128 HydrophobicContact CG-CB 4.46Å; Y16-F128 HydrophobicContact CG-CG 4.36Å; Y16-L130 HydrophobicContact CD1-CD1 3.54Å; Y16-L130 HydrophobicContact CD2-CD1 3.54Å; Y16-L130 HydrophobicContact CE1-CD1 3.39Å; Y16-L130 HydrophobicContact CE2-CD1 3.35Å; Y16-L130 HydrophobicContact CG-CD1 3.61Å; Y16-H135 AromaticContact CZ-ND1 3.83Å; Y16-H135 WeakPolarHBondContact OH-CA 3.13Å; Y16-H135 PolarHBondContact OH-ND1 2.81Å; Y16-H138 HydrophobicContact CE1-CB 3.95Å; Y16-H138 AromaticContact CE1-ND1 3.52Å |
| 17 | K | 90.4 | Very high | 86.8 | Confident | 79 Ų | 79 | 36.9 Ų | 36.9 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 179.8 | -68.3 | 172.1 | -174.7 | 174.2 | 0 | 111.8 | S13 H14 V15 T19 Q21 I142 | S13-K17 WeakPolarHBondContact O-CG 3.33Å; S13-K17 PolarHBondContact O-N 2.92Å; H14-K17 PolarHBondContact O-N 3.39Å; H14-K17 VanDerWaalsContact O-N 3.12Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.41Å; K17-T19 VanDerWaalsContact C-N 3.32Å; K17-T19 PolarHBondContact O-N 2.82Å; K17-Q21 WeakPolarHBondContact O-CB 3.43Å; K17-Q21 PolarHBondContact O-N 3.49Å; K17-I142 HydrophobicContact CB-CD1 4.28Å; K17-I142 WeakPolarHBondContact O-CD1 3.49Å |
| 18 | K | 89.8 | Confident | 87.1 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 10% | 0.096 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -31.7 | 178.9 | -67.9 | -68.9 | -178.6 | -179.9 | 0 | 112.3 | H14 V15 Q21 A22 E288 F344 Y348 | H14-K18 VanDerWaalsContact CE1-CE 3.5Å; H14-K18 WeakPolarHBondContact CE1-CE 3.48Å; H14-K18 WeakPolarHBondContact NE2-CE 3.46Å; H14-K18 PolarHBondContact O-N 3.06Å; V15-K18 PolarHBondContact O-N 3.42Å; K18-Q21 PolarHBondContact O-N 3.12Å; K18-A22 WeakPolarHBondContact O-CB 3.22Å; K18-A22 PolarHBondContact O-N 2.96Å; K18-E288 IonicContact NZ-OE1 3.31Å; K18-E288 PolarHBondContact NZ-OE1 2.8Å; K18-E288 IonicContact NZ-OE2 2.98Å; K18-F344 HydrophobicContact CB-CE2 4.27Å; K18-Y348 HydrophobicContact CB-CE2 4.39Å; K18-Y348 PolarHBondContact O-OH 3.37Å |
| 19 | T | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.3 | -52 | 175.8 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | V15 Y16 K17 Q21 A22 L23 I124 L301 I340 F344 | V15-T19 VanDerWaalsContact O-CB 3.29Å; V15-T19 WeakPolarHBondContact O-CB 3.26Å; V15-T19 PolarHBondContact O-N 2.73Å; V15-T19 PolarHBondContact O-OG1 2.77Å; Y16-T19 PolarHBondContact O-N 3.29Å; K17-T19 VanDerWaalsContact C-N 3.32Å; K17-T19 PolarHBondContact O-N 2.82Å; T19-Q21 PolarHBondContact O-N 2.91Å; T19-A22 WeakPolarHBondContact O-CB 3.39Å; T19-A22 PolarHBondContact O-N 3.18Å; T19-L23 HydrophobicContact CG2-CD1 3.85Å; T19-L23 WeakPolarHBondContact O-CD1 3.45Å; T19-L23 PolarHBondContact O-N 3.45Å; T19-I124 HydrophobicContact CG2-CD1 3.85Å; T19-I124 HydrophobicContact CG2-CG1 4.16Å; T19-L301 HydrophobicContact CG2-CD1 3.92Å; T19-L301 HydrophobicContact CG2-CD2 4.09Å; T19-I340 HydrophobicContact CG2-CG2 3.77Å; T19-F344 HydrophobicContact CG2-CD2 4.31Å; T19-F344 WeakPolarHBondContact OG1-CE2 3.42Å |
| 20 | L | 92.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.8 | -41.4 | 173.3 | -76.2 | -175.6 | 0 | 0 | 0 | 112.3 | Y16 A22 L23 I24 F121 I124 M139 I142 | Y16-L20 HydrophobicContact CD1-CD1 4.43Å; Y16-L20 HydrophobicContact CD2-CD1 4.41Å; Y16-L20 HydrophobicContact CD2-CG 4.48Å; Y16-L20 HydrophobicContact CE1-CD1 3.66Å; Y16-L20 HydrophobicContact CE2-CD1 3.67Å; Y16-L20 HydrophobicContact CE2-CG 4.04Å; Y16-L20 PolarHBondContact O-N 3.47Å; Y16-L20 VanDerWaalsContact OH-CD1 3.29Å; Y16-L20 WeakPolarHBondContact OH-CD1 3.41Å; L20-A22 VanDerWaalsContact C-N 3.28Å; L20-A22 PolarHBondContact O-N 2.8Å; L20-L23 PolarHBondContact O-N 3.48Å; L20-I24 WeakPolarHBondContact O-CB 3.28Å; L20-I24 VanDerWaalsContact O-CG2 3.23Å; L20-I24 WeakPolarHBondContact O-CG2 3.48Å; L20-I24 PolarHBondContact O-N 2.99Å; L20-F121 HydrophobicContact CD2-CD1 3.8Å; L20-I124 HydrophobicContact CD2-CB 4.23Å; L20-I124 HydrophobicContact CD2-CD1 4.06Å; L20-I124 HydrophobicContact CD2-CG2 3.82Å; L20-I124 HydrophobicContact CG-CG2 4.07Å; L20-M139 HydrophobicContact CD1-SD 4.32Å; L20-M139 HydrophobicContact CD2-SD 4.27Å; L20-I142 HydrophobicContact CB-CD1 3.46Å; L20-I142 VanDerWaalsContact CB-CD1 3.46Å; L20-I142 HydrophobicContact CD1-CD1 3.69Å; L20-I142 HydrophobicContact CG-CD1 4.24Å |
| 21 | Q | 89.2 | Confident | 85.3 | Confident | 34 Ų | 34 | 26.7 Ų | 26.7 | 16% | 0.159 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.3 | -34.4 | 176.7 | -165.8 | -175.4 | 16.4 | 0 | 0 | 112.7 | K17 K18 T19 I142 S145 V146 R347 | K17-Q21 WeakPolarHBondContact O-CB 3.43Å; K17-Q21 PolarHBondContact O-N 3.49Å; K18-Q21 PolarHBondContact O-N 3.12Å; T19-Q21 PolarHBondContact O-N 2.91Å; Q21-I142 VanDerWaalsContact CA-CG2 3.42Å; Q21-I142 HydrophobicContact CB-CG2 3.7Å; Q21-I142 HydrophobicContact CG-CG2 4.04Å; Q21-S145 PolarHBondContact NE2-OG 3.09Å; Q21-V146 HydrophobicContact CG-CG2 3.92Å; Q21-R347 PolarHBondContact O-NH1 3.46Å |
| 22 | A | 88.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72 | -38.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | K18 T19 L20 Y25 P26 R347 Y348 | K18-A22 WeakPolarHBondContact O-CB 3.22Å; K18-A22 PolarHBondContact O-N 2.96Å; T19-A22 WeakPolarHBondContact O-CB 3.39Å; T19-A22 PolarHBondContact O-N 3.18Å; L20-A22 VanDerWaalsContact C-N 3.28Å; L20-A22 PolarHBondContact O-N 2.8Å; A22-Y25 CarbonylContact O-C 3.57Å; A22-P26 WeakPolarHBondContact O-CA 3.39Å; A22-R347 VanDerWaalsContact CA-CD 3.45Å; A22-Y348 HydrophobicContact CB-CE2 3.79Å |
| 23 | L | 91.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -94.3 | -22 | -171.6 | -77.4 | 80.3 | 0 | 0 | 0 | 114.8 | T19 L20 Y25 P26 R113 I120 F121 I124 I340 E343 | T19-L23 HydrophobicContact CG2-CD1 3.85Å; T19-L23 WeakPolarHBondContact O-CD1 3.45Å; T19-L23 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 3.48Å; L23-Y25 PolarHBondContact O-N 3.13Å; L23-P26 WeakPolarHBondContact O-CD 3.12Å; L23-R113 PolarHBondContact O-NE 3.22Å; L23-I120 HydrophobicContact CB-CG2 4.33Å; L23-I120 HydrophobicContact CD2-CG2 3.2Å; L23-I120 HydrophobicContact CG-CG2 4.39Å; L23-F121 HydrophobicContact CB-CE1 4.21Å; L23-I124 HydrophobicContact CD2-CD1 3.77Å; L23-I340 HydrophobicContact CD1-CG2 4.46Å; L23-I340 HydrophobicContact CD2-CB 3.98Å; L23-I340 HydrophobicContact CD2-CG1 3.56Å; L23-I340 HydrophobicContact CD2-CG2 4.19Å; L23-E343 HydrophobicContact CD1-CB 4.36Å; L23-E343 HydrophobicContact CG-CB 4.27Å |
| 24 | I | 90.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.3 | -26.9 | 174.4 | -167.3 | 44.4 | 0 | 0 | 0 | 111.9 | L20 M110 E114 F121 M139 I142 K143 V146 | L20-I24 WeakPolarHBondContact O-CB 3.28Å; L20-I24 VanDerWaalsContact O-CG2 3.23Å; L20-I24 WeakPolarHBondContact O-CG2 3.48Å; L20-I24 PolarHBondContact O-N 2.99Å; I24-M110 HydrophobicContact CD1-CB 3.96Å; I24-M110 HydrophobicContact CD1-CG 4.37Å; I24-M110 HydrophobicContact CG1-CB 4.02Å; I24-M110 HydrophobicContact CG1-CG 3.94Å; I24-M110 HydrophobicContact CG1-SD 4.01Å; I24-M110 HydrophobicContact CG2-SD 4.42Å; I24-E114 HydrophobicContact CD1-CG 3.48Å; I24-E114 VanDerWaalsContact CD1-CG 3.48Å; I24-F121 HydrophobicContact CB-CE1 4.15Å; I24-F121 HydrophobicContact CB-CZ 4.42Å; I24-F121 HydrophobicContact CD1-CE1 4.24Å; I24-F121 HydrophobicContact CD1-CZ 3.94Å; I24-M139 HydrophobicContact CB-CE 4.06Å; I24-M139 HydrophobicContact CD1-CE 3.38Å; I24-M139 HydrophobicContact CG1-CE 3.71Å; I24-I142 HydrophobicContact CG2-CG2 4.11Å; I24-K143 HydrophobicContact CG1-CG 4.08Å; I24-V146 HydrophobicContact CG2-CG2 4.13Å |
| 25 | Y | 87.2 | Confident | 84.5 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -139 | 76.5 | 175.9 | -170 | -108.7 | 0 | 0 | 0 | 109.6 | A22 L23 D81 Q84 L106 V146 | A22-Y25 CarbonylContact O-C 3.57Å; L23-Y25 PolarHBondContact O-N 3.13Å; Y25-D81 WeakPolarHBondContact CE1-OD2 3.23Å; Y25-D81 PolarHBondContact OH-OD1 3.33Å; Y25-D81 PolarHBondContact OH-OD2 2.88Å; Y25-Q84 HydrophobicContact CE1-CG 4.42Å; Y25-L106 HydrophobicContact CD2-CD2 4.39Å; Y25-L106 HydrophobicContact CE1-CD2 4.33Å; Y25-L106 HydrophobicContact CE2-CD2 3.6Å; Y25-V146 HydrophobicContact CD1-CG1 4.29Å; Y25-V146 HydrophobicContact CG-CG1 4.21Å |
| 26 | P | 83.7 | Confident | 84.4 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 5% | 0.045 | 21% | 0.209 | C | C | . | . | trans | -74.8 | 155.1 | -171.1 | 31.3 | -34.5 | 0 | 0 | 0 | 112.2 | A22 L23 E343 | A22-P26 WeakPolarHBondContact O-CA 3.39Å; L23-P26 WeakPolarHBondContact O-CD 3.12Å; P26-E343 HydrophobicContact CB-CG 4.11Å; P26-E343 VanDerWaalsContact CB-OE2 3.31Å; P26-E343 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 27 | I | 77.1 | Confident | 84.3 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -75 | -34.8 | -178.2 | -63.8 | -171.1 | 0 | 0 | 0 | 111.2 | S29 T30 E343 R347 | I27-S29 PolarHBondContact O-N 3.02Å; I27-T30 HydrophobicContact CG2-CG2 4.41Å; I27-T30 WeakPolarHBondContact O-CB 3.29Å; I27-T30 VanDerWaalsContact O-CG2 3.23Å; I27-T30 WeakPolarHBondContact O-CG2 3.24Å; I27-T30 PolarHBondContact O-N 2.61Å; I27-T30 VanDerWaalsContact O-N 3.09Å; I27-T30 PolarHBondContact O-OG1 2.66Å; I27-E343 PolarHBondContact N-OE2 2.88Å; I27-R347 VanDerWaalsContact CD1-CA 3.48Å; I27-R347 HydrophobicContact CD1-CB 3.79Å; I27-R347 HydrophobicContact CD1-CG 3.9Å; I27-R347 HydrophobicContact CG1-CB 4.25Å; I27-R347 HydrophobicContact CG1-CG 4.27Å |
| 28 | S | 71.1 | Confident | 84.3 | Confident | 78 Ų | 78 | 40.8 Ų | 40.8 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -57 | -23.6 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | E343 | S28-E343 WeakPolarHBondContact CB-OE1 3.31Å; S28-E343 PolarHBondContact N-OE1 2.93Å; S28-E343 PolarHBondContact OG-OE1 3.43Å |
| 29 | S | 68.1 | Low | 84.2 | Confident | 61 Ų | 61 | 42 Ų | 42 | 43% | 0.427 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -109.7 | 20.4 | -178.5 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | I27 R109 | I27-S29 PolarHBondContact O-N 3.02Å; S29-R109 PolarHBondContact O-NH1 2.98Å; S29-R109 PolarHBondContact O-NH2 3.42Å |
| 30 | T | 70.4 | Confident | 83.9 | Confident | 55 Ų | 55 | 42 Ų | 42 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -60.6 | 149.6 | 179.1 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | I27 | I27-T30 HydrophobicContact CG2-CG2 4.41Å; I27-T30 WeakPolarHBondContact O-CB 3.29Å; I27-T30 VanDerWaalsContact O-CG2 3.23Å; I27-T30 WeakPolarHBondContact O-CG2 3.24Å; I27-T30 PolarHBondContact O-N 2.61Å; I27-T30 VanDerWaalsContact O-N 3.09Å; I27-T30 PolarHBondContact O-OG1 2.66Å |
| 31 | T | 73.1 | Confident | 83.5 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 123.6 | 179 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | C82 L83 R109 | T31-C82 WeakPolarHBondContact O-CB 3.25Å; T31-L83 HydrophobicContact CG2-CG 4.41Å; T31-L83 WeakPolarHBondContact OG1-CD1 3.44Å; T31-L83 WeakPolarHBondContact OG1-CG 3.1Å; T31-R109 VanDerWaalsContact N-NH1 3.16Å; T31-R109 PolarHBondContact OG1-NH1 3.23Å |
| 32 | P | 77.3 | Confident | 83.2 | Confident | 108 Ų | 108 | 50.3 Ų | 50.3 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 143 | 177.2 | 27.1 | -33.7 | 0 | 0 | 0 | 109.7 | ||
| 33 | H | 81.4 | Confident | 82.9 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 135.9 | 174.8 | -69.2 | -90.2 | 0 | 0 | 0 | 109.9 | F35 C63 C66 A80 | H33-F35 HydrophobicContact CB-CD2 3.78Å; H33-F35 HydrophobicContact CB-CE1 4.27Å; H33-F35 HydrophobicContact CB-CE2 3.24Å; H33-F35 HydrophobicContact CB-CG 4.47Å; H33-F35 HydrophobicContact CB-CZ 3.47Å; H33-F35 VanDerWaalsContact CB-CZ 3.47Å; H33-F35 AromaticContact CG-CE2 3.94Å; H33-F35 AromaticContact CG-CZ 3.79Å; H33-F35 PolarHBondContact O-N 2.89Å; H33-C63 HydrophobicContact CB-CB 4.29Å; H33-C66 VanDerWaalsContact CE1-SG 3.53Å; H33-C66 PolarHBondContact ND1-SG 2.58Å; H33-A80 PolarHBondContact CE1-O 2.5Å; H33-A80 PolarHBondContact NE2-O 2.87Å |
| 34 | N | 86.8 | Confident | 82.5 | Confident | 88 Ų | 88 | 55.1 Ų | 55.1 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | trans | -92.1 | 92.5 | 172.9 | -176.4 | 43.3 | 0 | 0 | 0 | 110 | C63 S64 | N34-C63 CarbonylContact O-C 3.57Å; N34-C63 VanDerWaalsContact O-CA 3.26Å; N34-C63 WeakPolarHBondContact O-CA 3.28Å; N34-S64 PolarHBondContact ND2-OG 3.5Å; N34-S64 PolarHBondContact O-N 3.34Å | ||
| 35 | F | 88.7 | Confident | 82.1 | Confident | 35 Ų | 35 | 62 Ų | 62 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.8 | -175 | -76.3 | -65.9 | 0 | 0 | 0 | 113.4 | H33 M61 C63 V68 C70 Q75 L78 | H33-F35 HydrophobicContact CB-CD2 3.78Å; H33-F35 HydrophobicContact CB-CE1 4.27Å; H33-F35 HydrophobicContact CB-CE2 3.24Å; H33-F35 HydrophobicContact CB-CG 4.47Å; H33-F35 HydrophobicContact CB-CZ 3.47Å; H33-F35 VanDerWaalsContact CB-CZ 3.47Å; H33-F35 AromaticContact CG-CE2 3.94Å; H33-F35 AromaticContact CG-CZ 3.79Å; H33-F35 PolarHBondContact O-N 2.89Å; F35-M61 HydrophobicContact CB-CB 4.07Å; F35-M61 HydrophobicContact CB-CE 3.99Å; F35-M61 HydrophobicContact CD1-CB 3.7Å; F35-M61 HydrophobicContact CG-CB 4.08Å; F35-C63 HydrophobicContact CD1-CB 4.07Å; F35-C63 HydrophobicContact CE1-CB 3.83Å; F35-C63 HydrophobicContact CZ-CB 4.44Å; F35-V68 HydrophobicContact CE1-CG1 3.7Å; F35-V68 HydrophobicContact CZ-CG1 3.84Å; F35-C70 VanDerWaalsContact CE1-SG 3.59Å; F35-Q75 HydrophobicContact CD2-CB 3.82Å; F35-Q75 HydrophobicContact CE2-CB 3.79Å; F35-Q75 HydrophobicContact CG-CB 4.48Å; F35-Q75 HydrophobicContact CZ-CB 4.48Å; F35-L78 HydrophobicContact CE1-CD1 4.12Å; F35-L78 HydrophobicContact CE2-CD1 4.09Å; F35-L78 HydrophobicContact CZ-CD1 3.32Å |
| 36 | E | 90.4 | Very high | 81.8 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 53% | 0.533 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.5 | 171.6 | -66.1 | 175.2 | -175.7 | 0 | 0 | 110.4 | W38 M61 R62 | E36-W38 PolarHBondContact O-N 3Å; E36-M61 CarbonylContact O-C 3.57Å; E36-M61 WeakPolarHBondContact O-CA 3.12Å; E36-R62 PolarHBondContact N-O 3.34Å; E36-R62 PolarHBondContact O-N 3.12Å |
| 37 | V | 89.6 | Confident | 81.5 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 62% | 0.624 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 126.2 | 176 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | M61 | V37-M61 HydrophobicContact CG2-CE 4.39Å; V37-M61 HydrophobicContact CG2-SD 4Å |
| 38 | W | 90.7 | Very high | 81.4 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 16% | 0.159 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.5 | -174.7 | 177.4 | 73.4 | 0 | 0 | 0 | 112 | E36 A40 T44 L53 G60 R62 K69 | E36-W38 PolarHBondContact O-N 3Å; W38-A40 HydrophobicContact CE3-CB 4.4Å; W38-A40 VanDerWaalsContact CH2-CA 3.45Å; W38-A40 HydrophobicContact CH2-CB 3.36Å; W38-A40 HydrophobicContact CZ2-CB 4.16Å; W38-A40 HydrophobicContact CZ3-CB 3.51Å; W38-T44 HydrophobicContact CH2-CG2 3.87Å; W38-T44 HydrophobicContact CZ3-CG2 3.98Å; W38-L53 HydrophobicContact CZ3-CD1 4.33Å; W38-G60 PolarHBondContact N-O 3Å; W38-G60 PolarHBondContact O-N 3.17Å; W38-G60 VanDerWaalsContact O-O 3.05Å; W38-R62 HydrophobicContact CB-CB 3.41Å; W38-R62 VanDerWaalsContact CB-CB 3.41Å; W38-R62 HydrophobicContact CD2-CB 4.14Å; W38-R62 HydrophobicContact CG-CB 3.61Å; W38-R62 HydrophobicContact CG-CG 4.38Å; W38-K69 HydrophobicContact CE3-CD 4.16Å; W38-K69 HydrophobicContact CE3-CG 4.33Å; W38-K69 HydrophobicContact CH2-CD 3.65Å; W38-K69 HydrophobicContact CZ2-CD 4.25Å; W38-K69 HydrophobicContact CZ3-CB 4.4Å; W38-K69 HydrophobicContact CZ3-CD 3.6Å; W38-K69 HydrophobicContact CZ3-CG 4.21Å |
| 39 | T | 88.6 | Confident | 81.4 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 29% | 0.288 | 35% | 0.35 | S | S | . | . | trans | -101 | 123.2 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 110 | T41 G55 I56 Q59 | T39-T41 PolarHBondContact O-N 3.49Å; T39-G55 WeakPolarHBondContact CG2-O 3.31Å; T39-I56 HydrophobicContact CG2-CG1 4.33Å; T39-Q59 HydrophobicContact CG2-CG 4.32Å; T39-Q59 PolarHBondContact OG1-NE2 2.88Å | ||
| 40 | A | 86.2 | Confident | 81.6 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | trans | -77.6 | 115.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | W38 L53 G55 | W38-A40 HydrophobicContact CE3-CB 4.4Å; W38-A40 VanDerWaalsContact CH2-CA 3.45Å; W38-A40 HydrophobicContact CH2-CB 3.36Å; W38-A40 HydrophobicContact CZ2-CB 4.16Å; W38-A40 HydrophobicContact CZ3-CB 3.51Å; A40-L53 HydrophobicContact CB-CB 4.14Å; A40-L53 VanDerWaalsContact CB-O 3.26Å; A40-L53 WeakPolarHBondContact CB-O 3.26Å; A40-G55 PolarHBondContact O-N 3.38Å; A40-G55 VanDerWaalsContact O-N 3.14Å | ||
| 41 | T | 84.2 | Confident | 81.9 | Confident | 121 Ų | 121 | 61 Ų | 61 | 74% | 0.742 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -87.6 | -11.2 | 174.1 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | T39 W54 | T39-T41 PolarHBondContact O-N 3.49Å; T41-W54 WeakPolarHBondContact O-CH2 3.41Å; T41-W54 WeakPolarHBondContact O-CZ3 3.29Å |
| 42 | T | 83.1 | Confident | 82.1 | Confident | 87 Ų | 87 | 62.1 Ų | 62.1 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -123.5 | 149.2 | 166.3 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | T44 W54 | T42-T44 PolarHBondContact O-N 2.93Å; T42-T44 PolarHBondContact O-OG1 3.5Å; T42-W54 VanDerWaalsContact C-CE3 3.45Å |
| 43 | P | 82.6 | Confident | 82.4 | Confident | 83 Ų | 83 | 57 Ų | 57 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | trans | -53.5 | 110 | 177.9 | -27.1 | 35.6 | 0 | 0 | 0 | 110.5 | L52 W54 | P43-L52 HydrophobicContact CB-CD1 4.17Å; P43-W54 VanDerWaalsContact CD-CZ3 3.47Å; P43-W54 HydrophobicContact CG-CE3 4.08Å; P43-W54 HydrophobicContact CG-CZ3 4.07Å | ||
| 44 | T | 82.6 | Confident | 82.6 | Confident | 17 Ų | 17 | 61 Ų | 61 | 10% | 0.104 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.9 | -174.1 | -58.4 | 0 | 0 | 0 | 0 | 108.9 | W38 T42 L53 K69 | W38-T44 HydrophobicContact CH2-CG2 3.87Å; W38-T44 HydrophobicContact CZ3-CG2 3.98Å; T42-T44 PolarHBondContact O-N 2.93Å; T42-T44 PolarHBondContact O-OG1 3.5Å; T44-L53 PolarHBondContact N-O 3.46Å; T44-L53 VanDerWaalsContact N-O 3.16Å; T44-L53 WeakPolarHBondContact O-CA 3.18Å; T44-L53 WeakPolarHBondContact O-CB 3.22Å; T44-L53 PolarHBondContact O-N 3.02Å; T44-L53 VanDerWaalsContact O-O 3.14Å; T44-K69 HydrophobicContact CG2-CD 3.59Å |
| 45 | Y | 81.4 | Confident | 82.3 | Confident | 145 Ų | 145 | 57.9 Ų | 57.9 | 57% | 0.569 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.1 | -179.5 | -59.2 | -84.9 | 0 | 0 | 0 | 110.3 | E50 G51 L52 | Y45-E50 WeakPolarHBondContact CD1-O 3.32Å; Y45-G51 WeakPolarHBondContact CA-O 3.31Å; Y45-L52 HydrophobicContact CD1-CD1 4.38Å; Y45-L52 HydrophobicContact CE1-CB 4.36Å; Y45-L52 HydrophobicContact CE1-CD1 3.91Å |
| 46 | C | 80.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | trans | -58.3 | 134.9 | 173 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | E48 C49 E50 G51 L53 C70 H71 | C46-E48 VanDerWaalsContact C-N 3.3Å; C46-E48 PolarHBondContact O-N 2.91Å; C46-E48 PolarHBondContact SG-N 2.91Å; C46-C49 PolarHBondContact SG-N 3.25Å; C46-E50 WeakPolarHBondContact O-CA 3.33Å; C46-E50 PolarHBondContact O-N 2.97Å; C46-G51 PolarHBondContact N-O 3.41Å; C46-L53 HydrophobicContact CB-CD1 4.41Å; C46-C70 VanDerWaalsContact SG-CA 3.51Å; C46-H71 VanDerWaalsContact CB-CE1 3.45Å; C46-H71 WeakPolarHBondContact CB-CE1 3.23Å; C46-H71 VanDerWaalsContact CB-ND1 3.28Å; C46-H71 WeakPolarHBondContact CB-ND1 3.42Å; C46-H71 PolarHBondContact SG-N 3.34Å; C46-H71 VanDerWaalsContact SG-N 3.37Å; C46-H71 PolarHBondContact SG-ND1 3.3Å | ||
| 47 | Y | 78.4 | Confident | 80.9 | Confident | 64 Ų | 64 | 62 Ų | 62 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -35.9 | -179.1 | -175.1 | -96.3 | 0 | 0 | 0 | 112.9 | V68 K69 L78 A80 R85 | Y47-V68 HydrophobicContact CD1-CG2 4.09Å; Y47-V68 HydrophobicContact CD2-CG2 4.29Å; Y47-V68 HydrophobicContact CG-CG2 3.77Å; Y47-K69 WeakPolarHBondContact CB-O 3.31Å; Y47-K69 PolarHBondContact N-O 3.03Å; Y47-L78 HydrophobicContact CD1-CD2 3.45Å; Y47-L78 VanDerWaalsContact CD1-CD2 3.45Å; Y47-L78 HydrophobicContact CE1-CD2 4.27Å; Y47-L78 HydrophobicContact CG-CD2 4.28Å; Y47-A80 HydrophobicContact CE1-CB 4.41Å; Y47-R85 PolarHBondContact OH-NH1 2.97Å |
| 48 | E | 75.4 | Confident | 80.1 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -68.2 | -177.7 | -163.9 | 52.2 | -136.9 | 0 | 0 | 112.3 | C46 E50 C74 L77 L78 R216 | C46-E48 VanDerWaalsContact C-N 3.3Å; C46-E48 PolarHBondContact O-N 2.91Å; C46-E48 PolarHBondContact SG-N 2.91Å; E48-E50 PolarHBondContact O-N 2.95Å; E48-C74 HydrophobicContact CB-CB 3.9Å; E48-C74 HydrophobicContact CG-CB 4.42Å; E48-L77 HydrophobicContact CG-CB 3.85Å; E48-L78 HydrophobicContact CB-CD2 4.12Å; E48-R216 IonicContact OE1-NH1 3.09Å; E48-R216 IonicContact OE2-CZ 3.96Å; E48-R216 IonicContact OE2-NH1 3.92Å; E48-R216 PolarHBondContact OE2-NH1 3.4Å; E48-R216 IonicContact OE2-NH2 2.69Å |
| 49 | C | 70.6 | Confident | 79.8 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 30% | 0.297 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -1.4 | -175.1 | 81.5 | 0 | 0 | 0 | 0 | 115.5 | C46 G51 H71 | C46-C49 PolarHBondContact SG-N 3.25Å; C49-G51 PolarHBondContact O-N 3.39Å; C49-G51 PolarHBondContact SG-N 3.37Å; C49-G51 VanDerWaalsContact SG-N 3.39Å; C49-H71 PolarHBondContact SG-CE1 2.96Å; C49-H71 PolarHBondContact SG-ND1 3.17Å |
| 50 | E | 72.4 | Confident | 79.7 | Confident | 41 Ų | 41 | 64 Ų | 64 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | trans | 55.1 | 14.1 | -174.6 | -61.9 | -175.3 | 173.4 | 0 | 0 | 116.3 | Y45 C46 E48 K218 R220 | Y45-E50 WeakPolarHBondContact CD1-O 3.32Å; C46-E50 WeakPolarHBondContact O-CA 3.33Å; C46-E50 PolarHBondContact O-N 2.97Å; E48-E50 PolarHBondContact O-N 2.95Å; E50-K218 VanDerWaalsContact OE1-CD 3.22Å; E50-K218 WeakPolarHBondContact OE1-CD 3.45Å; E50-K218 WeakPolarHBondContact OE1-CE 3.49Å; E50-K218 IonicContact OE1-NZ 3.32Å; E50-K218 PolarHBondContact OE1-NZ 3.16Å; E50-R220 IonicContact OE1-NH2 2.89Å; E50-R220 PolarHBondContact OE1-NH2 2.77Å; E50-R220 IonicContact OE2-CZ 3.5Å; E50-R220 IonicContact OE2-NH1 3.34Å; E50-R220 PolarHBondContact OE2-NH1 2.83Å; E50-R220 IonicContact OE2-NH2 3.63Å; E50-R220 PolarHBondContact OE2-NH2 2.66Å | ||
| 51 | G | 75.4 | Confident | 79.9 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | trans | -67 | 149.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y45 C46 C49 L53 | Y45-G51 WeakPolarHBondContact CA-O 3.31Å; C46-G51 PolarHBondContact N-O 3.41Å; C49-G51 PolarHBondContact O-N 3.39Å; C49-G51 PolarHBondContact SG-N 3.37Å; C49-G51 VanDerWaalsContact SG-N 3.39Å; G51-L53 PolarHBondContact O-N 3.39Å | ||
| 52 | L | 78.9 | Confident | 80.2 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 122.6 | -178.4 | 179.1 | 67.9 | 0 | 0 | 0 | 111.3 | P43 Y45 W54 R58 | P43-L52 HydrophobicContact CB-CD1 4.17Å; Y45-L52 HydrophobicContact CD1-CD1 4.38Å; Y45-L52 HydrophobicContact CE1-CB 4.36Å; Y45-L52 HydrophobicContact CE1-CD1 3.91Å; L52-W54 HydrophobicContact CD1-CB 4.38Å; L52-W54 HydrophobicContact CD2-CB 4.29Å; L52-W54 HydrophobicContact CG-CB 4.07Å; L52-R58 WeakPolarHBondContact O-CD 3.18Å |
| 53 | L | 83.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 114.8 | 167 | -60.9 | 174 | 0 | 0 | 0 | 108.3 | W38 A40 T44 C46 G51 R58 K69 H71 | W38-L53 HydrophobicContact CZ3-CD1 4.33Å; A40-L53 HydrophobicContact CB-CB 4.14Å; A40-L53 VanDerWaalsContact CB-O 3.26Å; A40-L53 WeakPolarHBondContact CB-O 3.26Å; T44-L53 PolarHBondContact N-O 3.46Å; T44-L53 VanDerWaalsContact N-O 3.16Å; T44-L53 WeakPolarHBondContact O-CA 3.18Å; T44-L53 WeakPolarHBondContact O-CB 3.22Å; T44-L53 PolarHBondContact O-N 3.02Å; T44-L53 VanDerWaalsContact O-O 3.14Å; C46-L53 HydrophobicContact CB-CD1 4.41Å; G51-L53 PolarHBondContact O-N 3.39Å; L53-R58 WeakPolarHBondContact CA-O 3.37Å; L53-K69 HydrophobicContact CD1-CB 4.36Å; L53-H71 VanDerWaalsContact CD2-CD2 3.43Å; L53-H71 WeakPolarHBondContact CD2-CD2 3.36Å; L53-H71 WeakPolarHBondContact CD2-NE2 3.43Å |
| 54 | W | 85.3 | Confident | 80.6 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 44% | 0.443 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -157.1 | 124.2 | -175.9 | -179.3 | -113.4 | 0 | 0 | 0 | 112.8 | T41 T42 P43 L52 R58 | T41-W54 WeakPolarHBondContact O-CH2 3.41Å; T41-W54 WeakPolarHBondContact O-CZ3 3.29Å; T42-W54 VanDerWaalsContact C-CE3 3.45Å; P43-W54 VanDerWaalsContact CD-CZ3 3.47Å; P43-W54 HydrophobicContact CG-CE3 4.08Å; P43-W54 HydrophobicContact CG-CZ3 4.07Å; L52-W54 HydrophobicContact CD1-CB 4.38Å; L52-W54 HydrophobicContact CD2-CB 4.29Å; L52-W54 HydrophobicContact CG-CB 4.07Å; W54-R58 PolarHBondContact N-O 3.45Å; W54-R58 PolarHBondContact O-N 3.47Å |
| 55 | G | 80 | Confident | 80.6 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -169 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T39 A40 A57 | T39-G55 WeakPolarHBondContact CG2-O 3.31Å; A40-G55 PolarHBondContact O-N 3.38Å; A40-G55 VanDerWaalsContact O-N 3.14Å; G55-A57 VanDerWaalsContact C-N 3.33Å; G55-A57 PolarHBondContact O-N 2.75Å |
| 56 | I | 77.7 | Confident | 80.5 | Confident | 133 Ų | 133 | 55.2 Ų | 55.2 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -28.5 | -175.3 | -57.3 | 168.1 | 0 | 0 | 0 | 111.4 | T39 R58 Q59 | T39-I56 HydrophobicContact CG2-CG1 4.33Å; I56-R58 VanDerWaalsContact C-N 3.27Å; I56-R58 PolarHBondContact O-N 2.84Å; I56-Q59 WeakPolarHBondContact O-CG 3.13Å |
| 57 | A | 71.6 | Confident | 80.7 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 85% | 0.851 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | G55 | G55-A57 VanDerWaalsContact C-N 3.33Å; G55-A57 PolarHBondContact O-N 2.75Å |
| 58 | R | 73.7 | Confident | 81 | Confident | 142 Ų | 142 | 52.8 Ų | 52.8 | 54% | 0.536 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -136 | 56.4 | 177.6 | -62.4 | -176.2 | -178.9 | 136.1 | -1.7 | 109.9 | L52 L53 W54 I56 | L52-R58 WeakPolarHBondContact O-CD 3.18Å; L53-R58 WeakPolarHBondContact CA-O 3.37Å; W54-R58 PolarHBondContact N-O 3.45Å; W54-R58 PolarHBondContact O-N 3.47Å; I56-R58 VanDerWaalsContact C-N 3.27Å; I56-R58 PolarHBondContact O-N 2.84Å |
| 59 | Q | 83 | Confident | 81.6 | Confident | 88 Ų | 88 | 53.5 Ų | 53.5 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | trans | -62.3 | 147 | 171.6 | -77.1 | 177.3 | -39 | 0 | 0 | 110.6 | T39 I56 | T39-Q59 HydrophobicContact CG2-CG 4.32Å; T39-Q59 PolarHBondContact OG1-NE2 2.88Å; I56-Q59 WeakPolarHBondContact O-CG 3.13Å | ||
| 60 | G | 88.4 | Confident | 82.4 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | -172.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | W38 C70 | W38-G60 PolarHBondContact N-O 3Å; W38-G60 PolarHBondContact O-N 3.17Å; W38-G60 VanDerWaalsContact O-O 3.05Å; G60-C70 CarbonylContact C-O 3.48Å; G60-C70 VanDerWaalsContact CA-O 3.22Å; G60-C70 WeakPolarHBondContact CA-O 3.36Å |
| 61 | M | 90.1 | Very high | 83 | Confident | 25 Ų | 25 | 51 Ų | 51 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.2 | 172.6 | -58.4 | -56 | -94.1 | 0 | 0 | 109.1 | F35 E36 V37 K69 C70 E72 | F35-M61 HydrophobicContact CB-CB 4.07Å; F35-M61 HydrophobicContact CB-CE 3.99Å; F35-M61 HydrophobicContact CD1-CB 3.7Å; F35-M61 HydrophobicContact CG-CB 4.08Å; E36-M61 CarbonylContact O-C 3.57Å; E36-M61 WeakPolarHBondContact O-CA 3.12Å; V37-M61 HydrophobicContact CG2-CE 4.39Å; V37-M61 HydrophobicContact CG2-SD 4Å; M61-K69 CarbonylContact O-C 3.57Å; M61-K69 VanDerWaalsContact O-CA 3.29Å; M61-K69 WeakPolarHBondContact O-CA 3.17Å; M61-C70 PolarHBondContact N-O 3.23Å; M61-C70 PolarHBondContact O-N 2.61Å; M61-E72 HydrophobicContact CG-CB 4.36Å |
| 62 | R | 90.1 | Very high | 83.4 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 39% | 0.389 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.4 | 171.8 | 179.2 | -178.4 | 169 | -173.3 | -6.1 | 109.4 | E36 W38 S64 V68 K69 | E36-R62 PolarHBondContact N-O 3.34Å; E36-R62 PolarHBondContact O-N 3.12Å; W38-R62 HydrophobicContact CB-CB 3.41Å; W38-R62 VanDerWaalsContact CB-CB 3.41Å; W38-R62 HydrophobicContact CD2-CB 4.14Å; W38-R62 HydrophobicContact CG-CB 3.61Å; W38-R62 HydrophobicContact CG-CG 4.38Å; R62-S64 PolarHBondContact O-N 3.32Å; R62-V68 VanDerWaalsContact CA-O 3.31Å; R62-V68 WeakPolarHBondContact CA-O 3.21Å; R62-K69 HydrophobicContact CG-CG 4.38Å |
| 63 | C | 89.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 130 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | H33 N34 F35 E65 C66 G67 V68 C82 | H33-C63 HydrophobicContact CB-CB 4.29Å; N34-C63 CarbonylContact O-C 3.57Å; N34-C63 VanDerWaalsContact O-CA 3.26Å; N34-C63 WeakPolarHBondContact O-CA 3.28Å; F35-C63 HydrophobicContact CD1-CB 4.07Å; F35-C63 HydrophobicContact CE1-CB 3.83Å; F35-C63 HydrophobicContact CZ-CB 4.44Å; C63-E65 VanDerWaalsContact C-N 3.27Å; C63-E65 PolarHBondContact O-N 3.5Å; C63-C66 VanDerWaalsContact SG-SG 3.61Å; C63-G67 WeakPolarHBondContact O-CA 3.31Å; C63-G67 PolarHBondContact O-N 3.02Å; C63-V68 HydrophobicContact CB-CG1 3.83Å; C63-V68 PolarHBondContact N-O 3.39Å; C63-C82 VanDerWaalsContact SG-SG 3.67Å |
| 64 | S | 84.3 | Confident | 83.2 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -34 | 178.7 | 65.7 | 0 | 0 | 0 | 0 | 112 | N34 R62 | N34-S64 PolarHBondContact ND2-OG 3.5Å; N34-S64 PolarHBondContact O-N 3.34Å; R62-S64 PolarHBondContact O-N 3.32Å |
| 65 | E | 82.1 | Confident | 82.9 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -69 | -177.2 | -66.3 | -52.7 | 142.1 | 0 | 0 | 112.7 | C63 R98 | C63-E65 VanDerWaalsContact C-N 3.27Å; C63-E65 PolarHBondContact O-N 3.5Å; E65-R98 PolarHBondContact O-NH2 2.96Å; E65-R98 IonicContact OE2-NH2 2.7Å; E65-R98 PolarHBondContact OE2-NH2 2.97Å |
| 66 | C | 80.6 | Confident | 82.5 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.034 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -17.5 | -173.7 | 76.3 | 0 | 0 | 0 | 0 | 113 | H33 C63 V68 C82 R85 A86 K89 | H33-C66 VanDerWaalsContact CE1-SG 3.53Å; H33-C66 PolarHBondContact ND1-SG 2.58Å; C63-C66 VanDerWaalsContact SG-SG 3.61Å; C66-V68 VanDerWaalsContact C-N 3.27Å; C66-V68 PolarHBondContact O-N 2.97Å; C66-V68 VanDerWaalsContact SG-CB 3.59Å; C66-V68 WeakPolarHBondContact SG-CG1 3.22Å; C66-V68 PolarHBondContact SG-N 2.7Å; C66-V68 VanDerWaalsContact SG-N 3.39Å; C66-C82 WeakPolarHBondContact CB-O 3.28Å; C66-R85 HydrophobicContact CB-CB 3.78Å; C66-A86 HydrophobicContact CB-CB 4.4Å; C66-K89 WeakPolarHBondContact O-CD 3.39Å |
| 67 | G | 83.2 | Confident | 82 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | trans | 71 | 15.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | C63 | C63-G67 WeakPolarHBondContact O-CA 3.31Å; C63-G67 PolarHBondContact O-N 3.02Å | ||
| 68 | V | 84.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | trans | -61.4 | 145.5 | 170.5 | 75.4 | 0 | 0 | 0 | 0 | 109.6 | F35 Y47 R62 C63 C66 L78 | F35-V68 HydrophobicContact CE1-CG1 3.7Å; F35-V68 HydrophobicContact CZ-CG1 3.84Å; Y47-V68 HydrophobicContact CD1-CG2 4.09Å; Y47-V68 HydrophobicContact CD2-CG2 4.29Å; Y47-V68 HydrophobicContact CG-CG2 3.77Å; R62-V68 VanDerWaalsContact CA-O 3.31Å; R62-V68 WeakPolarHBondContact CA-O 3.21Å; C63-V68 HydrophobicContact CB-CG1 3.83Å; C63-V68 PolarHBondContact N-O 3.39Å; C66-V68 VanDerWaalsContact C-N 3.27Å; C66-V68 PolarHBondContact O-N 2.97Å; C66-V68 VanDerWaalsContact SG-CB 3.59Å; C66-V68 WeakPolarHBondContact SG-CG1 3.22Å; C66-V68 PolarHBondContact SG-N 2.7Å; C66-V68 VanDerWaalsContact SG-N 3.39Å; V68-L78 HydrophobicContact CG1-CD1 4.09Å; V68-L78 HydrophobicContact CG2-CD2 4.37Å | ||
| 69 | K | 88.3 | Confident | 81.4 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 27% | 0.274 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.1 | -174.8 | -54.9 | 174.1 | -179.4 | -177.2 | 0 | 109.1 | W38 T44 Y47 L53 M61 R62 | W38-K69 HydrophobicContact CE3-CD 4.16Å; W38-K69 HydrophobicContact CE3-CG 4.33Å; W38-K69 HydrophobicContact CH2-CD 3.65Å; W38-K69 HydrophobicContact CZ2-CD 4.25Å; W38-K69 HydrophobicContact CZ3-CB 4.4Å; W38-K69 HydrophobicContact CZ3-CD 3.6Å; W38-K69 HydrophobicContact CZ3-CG 4.21Å; T44-K69 HydrophobicContact CG2-CD 3.59Å; Y47-K69 WeakPolarHBondContact CB-O 3.31Å; Y47-K69 PolarHBondContact N-O 3.03Å; L53-K69 HydrophobicContact CD1-CB 4.36Å; M61-K69 CarbonylContact O-C 3.57Å; M61-K69 VanDerWaalsContact O-CA 3.29Å; M61-K69 WeakPolarHBondContact O-CA 3.17Å; R62-K69 HydrophobicContact CG-CG 4.38Å |
| 70 | C | 87.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 174.1 | -179.2 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | F35 C46 G60 M61 C74 L78 | F35-C70 VanDerWaalsContact CE1-SG 3.59Å; C46-C70 VanDerWaalsContact SG-CA 3.51Å; G60-C70 CarbonylContact C-O 3.48Å; G60-C70 VanDerWaalsContact CA-O 3.22Å; G60-C70 WeakPolarHBondContact CA-O 3.36Å; M61-C70 PolarHBondContact N-O 3.23Å; M61-C70 PolarHBondContact O-N 2.61Å; C70-C74 HydrophobicContact CB-CB 4.05Å; C70-L78 HydrophobicContact CB-CD1 4Å |
| 71 | H | 85.3 | Confident | 80 | Confident | 33 Ų | 33 | 53 Ų | 53 | 15% | 0.153 | 26% | 0.264 | C | S | . | . | trans | -77.4 | 159.1 | 162.2 | -64.3 | 99.4 | 0 | 0 | 0 | 110 | C46 C49 L53 K73 C74 Q75 | C46-H71 VanDerWaalsContact CB-CE1 3.45Å; C46-H71 WeakPolarHBondContact CB-CE1 3.23Å; C46-H71 VanDerWaalsContact CB-ND1 3.28Å; C46-H71 WeakPolarHBondContact CB-ND1 3.42Å; C46-H71 PolarHBondContact SG-N 3.34Å; C46-H71 VanDerWaalsContact SG-N 3.37Å; C46-H71 PolarHBondContact SG-ND1 3.3Å; C49-H71 PolarHBondContact SG-CE1 2.96Å; C49-H71 PolarHBondContact SG-ND1 3.17Å; L53-H71 VanDerWaalsContact CD2-CD2 3.43Å; L53-H71 WeakPolarHBondContact CD2-CD2 3.36Å; L53-H71 WeakPolarHBondContact CD2-NE2 3.43Å; H71-K73 VanDerWaalsContact C-N 3.34Å; H71-K73 HydrophobicContact CB-CG 4.02Å; H71-K73 PolarHBondContact O-N 3.07Å; H71-C74 HydrophobicContact CB-CB 4.19Å; H71-C74 CarbonylContact O-C 3.55Å; H71-C74 WeakPolarHBondContact O-CA 3.41Å; H71-C74 WeakPolarHBondContact O-CB 3.34Å; H71-C74 PolarHBondContact O-N 3.14Å; H71-Q75 PolarHBondContact O-N 2.99Å | ||
| 72 | E | 83.3 | Confident | 79.5 | Confident | 136 Ų | 136 | 51.9 Ų | 51.9 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -52 | -50.6 | 171.9 | -172.1 | 174.6 | -167.5 | 0 | 0 | 111.8 | M61 C74 Q75 | M61-E72 HydrophobicContact CG-CB 4.36Å; E72-C74 PolarHBondContact O-N 3.1Å; E72-Q75 WeakPolarHBondContact O-CG 3.44Å; E72-Q75 PolarHBondContact O-N 3.03Å; E72-Q75 VanDerWaalsContact O-N 3.17Å; E72-Q75 PolarHBondContact O-NE2 3.15Å |
| 73 | K | 80.8 | Confident | 79.1 | Confident | 155 Ų | 155 | 47.9 Ų | 47.9 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -62.7 | -11.1 | 175 | 68.6 | 174.3 | -176.8 | 172.8 | 0 | 115.6 | H71 | H71-K73 VanDerWaalsContact C-N 3.34Å; H71-K73 HydrophobicContact CB-CG 4.02Å; H71-K73 PolarHBondContact O-N 3.07Å |
| 74 | C | 79.2 | Confident | 78.5 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -106.2 | -3.7 | -177.4 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | E48 C70 H71 E72 D76 L77 | E48-C74 HydrophobicContact CB-CB 3.9Å; E48-C74 HydrophobicContact CG-CB 4.42Å; C70-C74 HydrophobicContact CB-CB 4.05Å; H71-C74 HydrophobicContact CB-CB 4.19Å; H71-C74 CarbonylContact O-C 3.55Å; H71-C74 WeakPolarHBondContact O-CA 3.41Å; H71-C74 WeakPolarHBondContact O-CB 3.34Å; H71-C74 PolarHBondContact O-N 3.14Å; E72-C74 PolarHBondContact O-N 3.1Å; C74-D76 VanDerWaalsContact C-N 3.33Å; C74-D76 PolarHBondContact O-N 3.42Å; C74-L77 PolarHBondContact O-N 2.88Å |
| 75 | Q | 78.8 | Confident | 78.1 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -64.6 | -39 | -175.6 | 73.8 | -167.8 | -24.6 | 0 | 0 | 112.3 | F35 H71 E72 L77 | F35-Q75 HydrophobicContact CD2-CB 3.82Å; F35-Q75 HydrophobicContact CE2-CB 3.79Å; F35-Q75 HydrophobicContact CG-CB 4.48Å; F35-Q75 HydrophobicContact CZ-CB 4.48Å; H71-Q75 PolarHBondContact O-N 2.99Å; E72-Q75 WeakPolarHBondContact O-CG 3.44Å; E72-Q75 PolarHBondContact O-N 3.03Å; E72-Q75 VanDerWaalsContact O-N 3.17Å; E72-Q75 PolarHBondContact O-NE2 3.15Å; Q75-L77 VanDerWaalsContact C-N 3.31Å; Q75-L77 PolarHBondContact O-N 2.92Å |
| 76 | D | 70.6 | Confident | 78 | Confident | 142 Ų | 142 | 45.9 Ų | 45.9 | 76% | 0.759 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.2 | -177.8 | -53.8 | -47.3 | 0 | 0 | 0 | 113.1 | C74 | C74-D76 VanDerWaalsContact C-N 3.33Å; C74-D76 PolarHBondContact O-N 3.42Å |
| 77 | L | 67 | Low | 77.8 | Confident | 111 Ų | 111 | 46.5 Ų | 46.5 | 58% | 0.581 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -0.9 | 180 | -63.9 | 171.8 | 0 | 0 | 0 | 112.4 | E48 C74 Q75 N79 | E48-L77 HydrophobicContact CG-CB 3.85Å; C74-L77 PolarHBondContact O-N 2.88Å; Q75-L77 VanDerWaalsContact C-N 3.31Å; Q75-L77 PolarHBondContact O-N 2.92Å; L77-N79 PolarHBondContact O-N 2.78Å |
| 78 | L | 69.4 | Low | 77.4 | Confident | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | trans | -78.6 | 101.4 | -175.4 | -77.1 | 169.4 | 0 | 0 | 0 | 112.2 | F35 Y47 E48 V68 C70 A80 | F35-L78 HydrophobicContact CE1-CD1 4.12Å; F35-L78 HydrophobicContact CE2-CD1 4.09Å; F35-L78 HydrophobicContact CZ-CD1 3.32Å; Y47-L78 HydrophobicContact CD1-CD2 3.45Å; Y47-L78 VanDerWaalsContact CD1-CD2 3.45Å; Y47-L78 HydrophobicContact CE1-CD2 4.27Å; Y47-L78 HydrophobicContact CG-CD2 4.28Å; E48-L78 HydrophobicContact CB-CD2 4.12Å; V68-L78 HydrophobicContact CG1-CD1 4.09Å; V68-L78 HydrophobicContact CG2-CD2 4.37Å; C70-L78 HydrophobicContact CB-CD1 4Å; L78-A80 PolarHBondContact O-N 3.47Å | ||
| 79 | N | 62.8 | Low | 77 | Confident | 76 Ų | 76 | 50.5 Ų | 50.5 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | trans | -83.2 | 51.9 | 174 | -161.1 | -4.8 | 0 | 0 | 0 | 112.9 | L77 R252 | L77-N79 PolarHBondContact O-N 2.78Å; N79-R252 PolarHBondContact ND2-NH2 2.9Å; N79-R252 PolarHBondContact O-NH2 2.86Å; N79-R252 PolarHBondContact OD1-NH2 2.87Å | ||
| 80 | A | 66.9 | Low | 76.5 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -133.4 | 128.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | H33 Y47 L78 C82 | H33-A80 PolarHBondContact CE1-O 2.5Å; H33-A80 PolarHBondContact NE2-O 2.87Å; Y47-A80 HydrophobicContact CE1-CB 4.41Å; L78-A80 PolarHBondContact O-N 3.47Å; A80-C82 PolarHBondContact O-N 2.68Å |
| 81 | D | 75.9 | Confident | 75.8 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -68 | 123.1 | -179.2 | -173.9 | -52.5 | 0 | 0 | 0 | 111.8 | Y25 L83 Q84 R85 | Y25-D81 WeakPolarHBondContact CE1-OD2 3.23Å; Y25-D81 PolarHBondContact OH-OD1 3.33Å; Y25-D81 PolarHBondContact OH-OD2 2.88Å; D81-L83 WeakPolarHBondContact OD1-CA 3.4Å; D81-L83 PolarHBondContact OD1-N 3.04Å; D81-Q84 HydrophobicContact CB-CB 4.04Å; D81-Q84 HydrophobicContact CB-CG 4.22Å; D81-Q84 PolarHBondContact OD1-N 2.8Å; D81-R85 WeakPolarHBondContact O-CB 3.09Å; D81-R85 VanDerWaalsContact O-CG 3.3Å; D81-R85 WeakPolarHBondContact O-CG 3.35Å; D81-R85 PolarHBondContact O-N 3.19Å; D81-R85 VanDerWaalsContact O-N 3.12Å | ||
| 82 | C | 80.1 | Confident | 75.2 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -43.3 | -178.6 | -172.4 | 0 | 0 | 0 | 0 | 113.1 | T31 C63 C66 A80 A86 | T31-C82 WeakPolarHBondContact O-CB 3.25Å; C63-C82 VanDerWaalsContact SG-SG 3.67Å; C66-C82 WeakPolarHBondContact CB-O 3.28Å; A80-C82 PolarHBondContact O-N 2.68Å; C82-A86 VanDerWaalsContact O-CB 3.29Å; C82-A86 WeakPolarHBondContact O-CB 3.44Å; C82-A86 PolarHBondContact O-N 2.96Å |
| 83 | L | 80.3 | Confident | 74.9 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72 | -44.3 | -178.1 | -70.2 | 178.3 | 0 | 0 | 0 | 111.5 | T31 D81 R85 A86 A87 I102 V105 L106 | T31-L83 HydrophobicContact CG2-CG 4.41Å; T31-L83 WeakPolarHBondContact OG1-CD1 3.44Å; T31-L83 WeakPolarHBondContact OG1-CG 3.1Å; D81-L83 WeakPolarHBondContact OD1-CA 3.4Å; D81-L83 PolarHBondContact OD1-N 3.04Å; L83-R85 VanDerWaalsContact C-N 3.34Å; L83-R85 PolarHBondContact O-N 3.48Å; L83-A86 PolarHBondContact O-N 3.41Å; L83-A87 PolarHBondContact O-N 3.04Å; L83-I102 HydrophobicContact CB-CG2 4.33Å; L83-I102 HydrophobicContact CD2-CG2 4.4Å; L83-V105 HydrophobicContact CD1-CG1 3.93Å; L83-V105 HydrophobicContact CD2-CG1 4.41Å; L83-L106 HydrophobicContact CB-CD2 4.05Å; L83-L106 HydrophobicContact CD1-CD2 3.98Å |
| 84 | Q | 76.7 | Confident | 74.5 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -44 | 176.9 | -70.1 | -163.3 | -21.3 | 0 | 0 | 111.1 | Y25 D81 A86 A87 E88 | Y25-Q84 HydrophobicContact CE1-CG 4.42Å; D81-Q84 HydrophobicContact CB-CB 4.04Å; D81-Q84 HydrophobicContact CB-CG 4.22Å; D81-Q84 PolarHBondContact OD1-N 2.8Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; Q84-A86 PolarHBondContact O-N 3.41Å; Q84-A87 PolarHBondContact O-N 3.48Å; Q84-E88 WeakPolarHBondContact O-CG 3.41Å; Q84-E88 PolarHBondContact O-N 3.36Å |
| 85 | R | 77.5 | Confident | 74.5 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 18% | 0.181 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 175.6 | -76.6 | -177.3 | 66.5 | 125.1 | 4 | 113.3 | Y47 C66 D81 L83 A87 K89 | Y47-R85 PolarHBondContact OH-NH1 2.97Å; C66-R85 HydrophobicContact CB-CB 3.78Å; D81-R85 WeakPolarHBondContact O-CB 3.09Å; D81-R85 VanDerWaalsContact O-CG 3.3Å; D81-R85 WeakPolarHBondContact O-CG 3.35Å; D81-R85 PolarHBondContact O-N 3.19Å; D81-R85 VanDerWaalsContact O-N 3.12Å; L83-R85 VanDerWaalsContact C-N 3.34Å; L83-R85 PolarHBondContact O-N 3.48Å; R85-A87 VanDerWaalsContact C-N 3.34Å; R85-K89 VanDerWaalsContact O-CB 3.25Å; R85-K89 WeakPolarHBondContact O-CB 3.24Å; R85-K89 PolarHBondContact O-N 3.36Å |
| 86 | A | 78.8 | Confident | 74.3 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 2% | 0.017 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | C66 C82 L83 Q84 S90 I102 | C66-A86 HydrophobicContact CB-CB 4.4Å; C82-A86 VanDerWaalsContact O-CB 3.29Å; C82-A86 WeakPolarHBondContact O-CB 3.44Å; C82-A86 PolarHBondContact O-N 2.96Å; L83-A86 PolarHBondContact O-N 3.41Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; Q84-A86 PolarHBondContact O-N 3.41Å; A86-S90 VanDerWaalsContact O-CB 3.31Å; A86-S90 WeakPolarHBondContact O-CB 2.99Å; A86-S90 PolarHBondContact O-N 3.29Å; A86-S90 PolarHBondContact O-OG 3.42Å; A86-I102 HydrophobicContact CB-CD1 3.66Å |
| 87 | A | 77.1 | Confident | 74.6 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.5 | -48.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L83 Q84 R85 K89 S90 S91 I102 | L83-A87 PolarHBondContact O-N 3.04Å; Q84-A87 PolarHBondContact O-N 3.48Å; R85-A87 VanDerWaalsContact C-N 3.34Å; A87-K89 VanDerWaalsContact C-N 3.34Å; A87-K89 PolarHBondContact O-N 3.26Å; A87-S90 PolarHBondContact O-N 2.71Å; A87-S91 WeakPolarHBondContact O-CB 3.28Å; A87-S91 PolarHBondContact O-N 3.28Å; A87-I102 HydrophobicContact CB-CB 4.46Å; A87-I102 HydrophobicContact CB-CG2 3.87Å |
| 88 | E | 74.6 | Confident | 75.2 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.2 | -46.5 | 176.5 | -75.1 | 179.9 | -177.8 | 0 | 0 | 112.3 | Q84 S91 K92 T150 S214 | Q84-E88 WeakPolarHBondContact O-CG 3.41Å; Q84-E88 PolarHBondContact O-N 3.36Å; E88-S91 PolarHBondContact O-N 3.13Å; E88-K92 WeakPolarHBondContact O-CB 3.44Å; E88-K92 WeakPolarHBondContact O-CG 3.49Å; E88-K92 PolarHBondContact O-N 3.47Å; E88-T150 WeakPolarHBondContact CG-OG1 3.44Å; E88-T150 WeakPolarHBondContact OE1-CB 3.15Å; E88-T150 WeakPolarHBondContact OE1-CG2 3.13Å; E88-T150 PolarHBondContact OE1-OG1 2.91Å; E88-S214 PolarHBondContact OE1-OG 3.33Å |
| 89 | K | 76.6 | Confident | 75.6 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 33% | 0.326 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 178.8 | -175.7 | -177 | 176.2 | -172 | 0 | 110.7 | C66 R85 A87 K92 H93 | C66-K89 WeakPolarHBondContact O-CD 3.39Å; R85-K89 VanDerWaalsContact O-CB 3.25Å; R85-K89 WeakPolarHBondContact O-CB 3.24Å; R85-K89 PolarHBondContact O-N 3.36Å; A87-K89 VanDerWaalsContact C-N 3.34Å; A87-K89 PolarHBondContact O-N 3.26Å; K89-K92 PolarHBondContact O-N 2.99Å; K89-H93 PolarHBondContact O-N 3.41Å; K89-H93 VanDerWaalsContact O-N 3.12Å; K89-H93 PolarHBondContact O-ND1 3.22Å |
| 90 | S | 77.3 | Confident | 76.4 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 179.8 | -58 | 0 | 0 | 0 | 0 | 111.5 | A86 A87 H93 G94 A95 T99 | A86-S90 VanDerWaalsContact O-CB 3.31Å; A86-S90 WeakPolarHBondContact O-CB 2.99Å; A86-S90 PolarHBondContact O-N 3.29Å; A86-S90 PolarHBondContact O-OG 3.42Å; A87-S90 PolarHBondContact O-N 2.71Å; S90-H93 PolarHBondContact O-N 3.44Å; S90-G94 PolarHBondContact O-N 2.97Å; S90-G94 VanDerWaalsContact O-N 3.16Å; S90-A95 PolarHBondContact O-N 3.12Å; S90-T99 WeakPolarHBondContact CB-OG1 3.4Å |
| 91 | S | 73.1 | Confident | 77.2 | Confident | 64 Ų | 64 | 65 Ų | 65 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 173.6 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | A87 E88 H93 G94 | A87-S91 WeakPolarHBondContact O-CB 3.28Å; A87-S91 PolarHBondContact O-N 3.28Å; E88-S91 PolarHBondContact O-N 3.13Å; S91-H93 PolarHBondContact O-N 2.82Å; S91-G94 PolarHBondContact O-N 3.41Å; S91-G94 VanDerWaalsContact O-N 3.15Å |
| 92 | K | 73.4 | Confident | 77.4 | Confident | 143 Ų | 143 | 64.9 Ų | 64.9 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.9 | -24.9 | 177.7 | -74.4 | 176 | -178.1 | 170.5 | 0 | 114 | E88 K89 | E88-K92 WeakPolarHBondContact O-CB 3.44Å; E88-K92 WeakPolarHBondContact O-CG 3.49Å; E88-K92 PolarHBondContact O-N 3.47Å; K89-K92 PolarHBondContact O-N 2.99Å |
| 93 | H | 75.8 | Confident | 77.5 | Confident | 144 Ų | 144 | 66.2 Ų | 66.2 | 67% | 0.667 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 4.3 | 179.3 | -67 | 71.2 | 0 | 0 | 0 | 113.3 | K89 S90 S91 A95 | K89-H93 PolarHBondContact O-N 3.41Å; K89-H93 VanDerWaalsContact O-N 3.12Å; K89-H93 PolarHBondContact O-ND1 3.22Å; S90-H93 PolarHBondContact O-N 3.44Å; S91-H93 PolarHBondContact O-N 2.82Å; H93-A95 VanDerWaalsContact C-N 3.34Å; H93-A95 PolarHBondContact O-N 2.83Å |
| 94 | G | 71.8 | Confident | 77.7 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 63% | 0.629 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 21.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S90 S91 E96 | S90-G94 PolarHBondContact O-N 2.97Å; S90-G94 VanDerWaalsContact O-N 3.16Å; S91-G94 PolarHBondContact O-N 3.41Å; S91-G94 VanDerWaalsContact O-N 3.15Å; G94-E96 PolarHBondContact O-N 3.23Å |
| 95 | A | 80.8 | Confident | 78.1 | Confident | 40 Ų | 40 | 71 Ų | 71 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | trans | -90.9 | 75.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S90 H93 D97 R98 T99 | S90-A95 PolarHBondContact O-N 3.12Å; H93-A95 VanDerWaalsContact C-N 3.34Å; H93-A95 PolarHBondContact O-N 2.83Å; A95-D97 PolarHBondContact O-N 3.22Å; A95-R98 HydrophobicContact CB-CB 4.4Å; A95-R98 PolarHBondContact O-N 3.32Å; A95-T99 PolarHBondContact O-N 3.47Å; A95-T99 VanDerWaalsContact O-N 3.13Å; A95-T99 PolarHBondContact O-OG1 2.87Å | ||
| 96 | E | 74.6 | Confident | 78.3 | Confident | 153 Ų | 153 | 69 Ų | 69 | 72% | 0.715 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.9 | -41.4 | -174.3 | -71.4 | -170.8 | 168.4 | 0 | 0 | 113.2 | G94 R98 T99 Q100 | G94-E96 PolarHBondContact O-N 3.23Å; E96-R98 PolarHBondContact O-N 3.38Å; E96-T99 CarbonylContact O-C 3.57Å; E96-T99 WeakPolarHBondContact O-CA 3.5Å; E96-T99 WeakPolarHBondContact O-CB 3.26Å; E96-T99 PolarHBondContact O-N 3.16Å; E96-T99 VanDerWaalsContact O-N 3.08Å; E96-Q100 WeakPolarHBondContact O-CG 3.45Å; E96-Q100 PolarHBondContact O-N 3.14Å |
| 97 | D | 77.2 | Confident | 78.7 | Confident | 148 Ų | 148 | 73.2 Ų | 73.2 | 79% | 0.791 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60 | -43.7 | 179.8 | -68.7 | -24 | 0 | 0 | 0 | 112.7 | A95 T99 Q100 N101 | A95-D97 PolarHBondContact O-N 3.22Å; D97-T99 VanDerWaalsContact C-N 3.31Å; D97-T99 PolarHBondContact O-N 3.15Å; D97-Q100 PolarHBondContact O-N 2.72Å; D97-N101 PolarHBondContact O-N 2.94Å |
| 98 | R | 78.3 | Confident | 79.1 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 43% | 0.434 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 176.5 | -170.3 | 174.4 | -176.1 | 171.6 | 2 | 111.1 | E65 A95 E96 N101 I102 | E65-R98 PolarHBondContact O-NH2 2.96Å; E65-R98 IonicContact OE2-NH2 2.7Å; E65-R98 PolarHBondContact OE2-NH2 2.97Å; A95-R98 HydrophobicContact CB-CB 4.4Å; A95-R98 PolarHBondContact O-N 3.32Å; E96-R98 PolarHBondContact O-N 3.38Å; R98-N101 PolarHBondContact O-N 2.84Å; R98-I102 HydrophobicContact CG-CD1 4.14Å; R98-I102 WeakPolarHBondContact O-CD1 3.25Å; R98-I102 VanDerWaalsContact O-CG1 3.29Å; R98-I102 WeakPolarHBondContact O-CG1 3.21Å; R98-I102 PolarHBondContact O-N 2.89Å; R98-I102 VanDerWaalsContact O-N 3.1Å |
| 99 | T | 77.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 78.4 Ų | 78.4 | 14% | 0.135 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 176.9 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | S90 A95 E96 D97 N101 I102 I103 | S90-T99 WeakPolarHBondContact CB-OG1 3.4Å; A95-T99 PolarHBondContact O-N 3.47Å; A95-T99 VanDerWaalsContact O-N 3.13Å; A95-T99 PolarHBondContact O-OG1 2.87Å; E96-T99 CarbonylContact O-C 3.57Å; E96-T99 WeakPolarHBondContact O-CA 3.5Å; E96-T99 WeakPolarHBondContact O-CB 3.26Å; E96-T99 PolarHBondContact O-N 3.16Å; E96-T99 VanDerWaalsContact O-N 3.08Å; D97-T99 VanDerWaalsContact C-N 3.31Å; D97-T99 PolarHBondContact O-N 3.15Å; T99-N101 PolarHBondContact O-N 3.14Å; T99-I102 PolarHBondContact O-N 2.82Å; T99-I103 HydrophobicContact CG2-CD1 4.12Å; T99-I103 WeakPolarHBondContact O-CB 3.43Å; T99-I103 VanDerWaalsContact O-CG1 3.28Å; T99-I103 WeakPolarHBondContact O-CG1 3.31Å; T99-I103 PolarHBondContact O-N 2.86Å |
| 100 | Q | 79.1 | Confident | 80.2 | Confident | 121 Ų | 121 | 75 Ų | 75 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 176.1 | -71.4 | -63.8 | -25.1 | 0 | 0 | 112.5 | E96 D97 I103 M104 | E96-Q100 WeakPolarHBondContact O-CG 3.45Å; E96-Q100 PolarHBondContact O-N 3.14Å; D97-Q100 PolarHBondContact O-N 2.72Å; Q100-I103 WeakPolarHBondContact O-CB 3.39Å; Q100-I103 PolarHBondContact O-N 2.83Å; Q100-M104 PolarHBondContact O-N 3.03Å |
| 101 | N | 83.7 | Confident | 80.8 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 176 | -165.9 | -15.5 | 0 | 0 | 0 | 111.6 | D97 R98 T99 I103 M104 V105 | D97-N101 PolarHBondContact O-N 2.94Å; R98-N101 PolarHBondContact O-N 2.84Å; T99-N101 PolarHBondContact O-N 3.14Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 2.79Å; N101-M104 WeakPolarHBondContact O-CB 3.49Å; N101-M104 PolarHBondContact O-N 2.83Å; N101-M104 VanDerWaalsContact O-N 3.09Å; N101-V105 PolarHBondContact O-N 3.3Å; N101-V105 VanDerWaalsContact O-N 3.08Å |
| 102 | I | 81.4 | Confident | 81.5 | Confident | 15 Ų | 15 | 81.3 Ų | 81.3 | 8% | 0.077 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.5 | -63.7 | 164.1 | 0 | 0 | 0 | 111.4 | L83 A86 A87 R98 T99 M104 V105 L106 | L83-I102 HydrophobicContact CB-CG2 4.33Å; L83-I102 HydrophobicContact CD2-CG2 4.4Å; A86-I102 HydrophobicContact CB-CD1 3.66Å; A87-I102 HydrophobicContact CB-CB 4.46Å; A87-I102 HydrophobicContact CB-CG2 3.87Å; R98-I102 HydrophobicContact CG-CD1 4.14Å; R98-I102 WeakPolarHBondContact O-CD1 3.25Å; R98-I102 VanDerWaalsContact O-CG1 3.29Å; R98-I102 WeakPolarHBondContact O-CG1 3.21Å; R98-I102 PolarHBondContact O-N 2.89Å; R98-I102 VanDerWaalsContact O-N 3.1Å; T99-I102 PolarHBondContact O-N 2.82Å; I102-M104 VanDerWaalsContact C-N 3.27Å; I102-M104 PolarHBondContact O-N 2.83Å; I102-V105 PolarHBondContact O-N 3.45Å; I102-L106 HydrophobicContact CG2-CD1 4.32Å; I102-L106 WeakPolarHBondContact O-CG 3.18Å; I102-L106 PolarHBondContact O-N 2.75Å |
| 103 | I | 81.4 | Confident | 82.3 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 173.2 | -74.9 | 169.6 | 0 | 0 | 0 | 111 | T99 Q100 N101 L106 K107 L147 | T99-I103 HydrophobicContact CG2-CD1 4.12Å; T99-I103 WeakPolarHBondContact O-CB 3.43Å; T99-I103 VanDerWaalsContact O-CG1 3.28Å; T99-I103 WeakPolarHBondContact O-CG1 3.31Å; T99-I103 PolarHBondContact O-N 2.86Å; Q100-I103 WeakPolarHBondContact O-CB 3.39Å; Q100-I103 PolarHBondContact O-N 2.83Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 2.79Å; I103-L106 PolarHBondContact O-N 3.06Å; I103-K107 WeakPolarHBondContact O-CG 3.43Å; I103-K107 PolarHBondContact O-N 3.47Å; I103-L147 HydrophobicContact CG2-CD2 4.12Å |
| 104 | M | 84.2 | Confident | 82.9 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 176.7 | -165.9 | 172.9 | 72.9 | 0 | 0 | 111.8 | Q100 N101 I102 L106 K107 D108 | Q100-M104 PolarHBondContact O-N 3.03Å; N101-M104 WeakPolarHBondContact O-CB 3.49Å; N101-M104 PolarHBondContact O-N 2.83Å; N101-M104 VanDerWaalsContact O-N 3.09Å; I102-M104 VanDerWaalsContact C-N 3.27Å; I102-M104 PolarHBondContact O-N 2.83Å; M104-L106 VanDerWaalsContact C-N 3.34Å; M104-L106 PolarHBondContact O-N 3.47Å; M104-K107 WeakPolarHBondContact O-CB 3.2Å; M104-K107 PolarHBondContact O-N 3.34Å; M104-D108 PolarHBondContact O-N 3.03Å |
| 105 | V | 85.2 | Confident | 83.8 | Confident | 57 Ų | 57 | 77.2 Ų | 77.2 | 35% | 0.345 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.5 | 177 | 0 | 0 | 0 | 0 | 111.7 | L83 N101 I102 D108 R109 | L83-V105 HydrophobicContact CD1-CG1 3.93Å; L83-V105 HydrophobicContact CD2-CG1 4.41Å; N101-V105 PolarHBondContact O-N 3.3Å; N101-V105 VanDerWaalsContact O-N 3.08Å; I102-V105 PolarHBondContact O-N 3.45Å; V105-D108 PolarHBondContact O-N 3.42Å; V105-R109 PolarHBondContact O-N 3.32Å |
| 106 | L | 83.3 | Confident | 84.3 | Confident | 5 Ų | 5 | 80.1 Ų | 80.1 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175 | -72.6 | 171.7 | 0 | 0 | 0 | 111.8 | Y25 L83 I102 I103 M104 D108 R109 M110 L147 | Y25-L106 HydrophobicContact CD2-CD2 4.39Å; Y25-L106 HydrophobicContact CE1-CD2 4.33Å; Y25-L106 HydrophobicContact CE2-CD2 3.6Å; L83-L106 HydrophobicContact CB-CD2 4.05Å; L83-L106 HydrophobicContact CD1-CD2 3.98Å; I102-L106 HydrophobicContact CG2-CD1 4.32Å; I102-L106 WeakPolarHBondContact O-CG 3.18Å; I102-L106 PolarHBondContact O-N 2.75Å; I103-L106 PolarHBondContact O-N 3.06Å; M104-L106 VanDerWaalsContact C-N 3.34Å; M104-L106 PolarHBondContact O-N 3.47Å; L106-D108 PolarHBondContact O-N 2.72Å; L106-R109 PolarHBondContact O-N 2.77Å; L106-M110 WeakPolarHBondContact O-CE 3.37Å; L106-M110 WeakPolarHBondContact O-CG 3.34Å; L106-M110 PolarHBondContact O-N 2.92Å; L106-L147 HydrophobicContact CB-CD2 3.63Å; L106-L147 HydrophobicContact CD1-CD2 4.38Å |
| 107 | K | 86 | Confident | 85.1 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 174.3 | -78.9 | 178.6 | -177.6 | 178.2 | 0 | 111.9 | I103 M104 M110 K111 L147 | I103-K107 WeakPolarHBondContact O-CG 3.43Å; I103-K107 PolarHBondContact O-N 3.47Å; M104-K107 WeakPolarHBondContact O-CB 3.2Å; M104-K107 PolarHBondContact O-N 3.34Å; K107-M110 PolarHBondContact O-N 2.92Å; K107-K111 WeakPolarHBondContact O-CG 3.38Å; K107-K111 PolarHBondContact O-N 3.34Å; K107-L147 HydrophobicContact CD-CD1 4.11Å; K107-L147 HydrophobicContact CG-CD1 3.62Å; K107-L147 HydrophobicContact CG-CD2 3.91Å; K107-L147 HydrophobicContact CG-CG 4.39Å |
| 108 | D | 86.6 | Confident | 85.9 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.8 | -37.6 | -178.3 | -73.2 | -17.1 | 0 | 0 | 0 | 112 | M104 V105 L106 K111 I112 | M104-D108 PolarHBondContact O-N 3.03Å; V105-D108 PolarHBondContact O-N 3.42Å; L106-D108 PolarHBondContact O-N 2.72Å; D108-K111 PolarHBondContact O-N 3.1Å; D108-K111 IonicContact OD1-NZ 3.63Å; D108-I112 VanDerWaalsContact O-CG1 3.26Å; D108-I112 WeakPolarHBondContact O-CG1 3.4Å; D108-I112 PolarHBondContact O-N 3.44Å |
| 109 | R | 85.8 | Confident | 86.6 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 173 | -83.9 | -173.5 | 152 | -143.5 | -10.4 | 113 | S29 T31 V105 L106 K111 I112 R113 | S29-R109 PolarHBondContact O-NH1 2.98Å; S29-R109 PolarHBondContact O-NH2 3.42Å; T31-R109 VanDerWaalsContact N-NH1 3.16Å; T31-R109 PolarHBondContact OG1-NH1 3.23Å; V105-R109 PolarHBondContact O-N 3.32Å; L106-R109 PolarHBondContact O-N 2.77Å; R109-K111 VanDerWaalsContact C-N 3.32Å; R109-K111 PolarHBondContact O-N 2.95Å; R109-I112 PolarHBondContact O-N 2.85Å; R109-R113 PolarHBondContact O-N 3.08Å |
| 110 | M | 88.6 | Confident | 87.3 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 175.7 | -71.3 | -173.7 | -80.7 | 0 | 0 | 111.6 | I24 L106 K107 R113 E114 K143 V146 L147 | I24-M110 HydrophobicContact CD1-CB 3.96Å; I24-M110 HydrophobicContact CD1-CG 4.37Å; I24-M110 HydrophobicContact CG1-CB 4.02Å; I24-M110 HydrophobicContact CG1-CG 3.94Å; I24-M110 HydrophobicContact CG1-SD 4.01Å; I24-M110 HydrophobicContact CG2-SD 4.42Å; L106-M110 WeakPolarHBondContact O-CE 3.37Å; L106-M110 WeakPolarHBondContact O-CG 3.34Å; L106-M110 PolarHBondContact O-N 2.92Å; K107-M110 PolarHBondContact O-N 2.92Å; M110-R113 PolarHBondContact O-N 3.39Å; M110-E114 PolarHBondContact O-N 3.46Å; M110-E114 VanDerWaalsContact O-N 3.09Å; M110-K143 HydrophobicContact CE-CB 4.43Å; M110-K143 HydrophobicContact SD-CB 4.15Å; M110-K143 HydrophobicContact SD-CG 3.97Å; M110-V146 HydrophobicContact CE-CG1 4.41Å; M110-V146 HydrophobicContact SD-CB 4.09Å; M110-V146 HydrophobicContact SD-CG1 4.04Å; M110-L147 HydrophobicContact CE-CD1 4.24Å; M110-L147 HydrophobicContact CE-CD2 3.55Å; M110-L147 HydrophobicContact CE-CG 3.75Å |
| 111 | K | 88.7 | Confident | 88.1 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 174.4 | -72.5 | 174.7 | -176.1 | 168.6 | 0 | 112.6 | K107 D108 R109 R113 E114 R115 | K107-K111 WeakPolarHBondContact O-CG 3.38Å; K107-K111 PolarHBondContact O-N 3.34Å; D108-K111 PolarHBondContact O-N 3.1Å; D108-K111 IonicContact OD1-NZ 3.63Å; R109-K111 VanDerWaalsContact C-N 3.32Å; R109-K111 PolarHBondContact O-N 2.95Å; K111-R113 VanDerWaalsContact C-N 3.3Å; K111-R113 PolarHBondContact O-N 3.17Å; K111-E114 PolarHBondContact O-N 2.88Å; K111-R115 WeakPolarHBondContact O-CB 3.41Å; K111-R115 PolarHBondContact O-N 2.98Å |
| 112 | I | 87.9 | Confident | 88.5 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 40% | 0.395 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.9 | -70.7 | 163.8 | 0 | 0 | 0 | 110 | D108 R109 R115 N116 | D108-I112 VanDerWaalsContact O-CG1 3.26Å; D108-I112 WeakPolarHBondContact O-CG1 3.4Å; D108-I112 PolarHBondContact O-N 3.44Å; R109-I112 PolarHBondContact O-N 2.85Å; I112-R115 PolarHBondContact O-N 3.49Å; I112-N116 VanDerWaalsContact O-CB 3.31Å; I112-N116 WeakPolarHBondContact O-CB 3.27Å; I112-N116 VanDerWaalsContact O-CG 3.26Å; I112-N116 PolarHBondContact O-N 3.03Å; I112-N116 PolarHBondContact O-OD1 3.24Å |
| 113 | R | 89.6 | Confident | 89.1 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 11% | 0.106 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 178.5 | -178.4 | 59.6 | 171.9 | 178.9 | 1 | 112 | L23 R109 M110 K111 R115 N116 K117 I120 F121 E339 | L23-R113 PolarHBondContact O-NE 3.22Å; R109-R113 PolarHBondContact O-N 3.08Å; M110-R113 PolarHBondContact O-N 3.39Å; K111-R113 VanDerWaalsContact C-N 3.3Å; K111-R113 PolarHBondContact O-N 3.17Å; R113-R115 VanDerWaalsContact C-N 3.28Å; R113-R115 PolarHBondContact O-N 3.31Å; R113-N116 PolarHBondContact O-N 3.16Å; R113-K117 PolarHBondContact O-N 2.67Å; R113-I120 VanDerWaalsContact NH2-CD1 3.34Å; R113-F121 HydrophobicContact CG-CE2 4.23Å; R113-F121 HydrophobicContact CG-CZ 4.02Å; R113-E339 IonicContact CZ-OE1 2.69Å; R113-E339 IonicContact NH1-OE1 3.54Å; R113-E339 PolarHBondContact NH1-OE1 3.12Å; R113-E339 IonicContact NH2-OE1 3.33Å; R113-E339 PolarHBondContact NH2-OE1 2.93Å |
| 114 | E | 89.6 | Confident | 89.7 | Confident | 50 Ų | 50 | 62 Ų | 62 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -37 | 176 | -70.6 | -179 | 135.5 | 0 | 0 | 113 | I24 M110 K111 P118 F121 M139 K143 | I24-E114 HydrophobicContact CD1-CG 3.48Å; I24-E114 VanDerWaalsContact CD1-CG 3.48Å; M110-E114 PolarHBondContact O-N 3.46Å; M110-E114 VanDerWaalsContact O-N 3.09Å; K111-E114 PolarHBondContact O-N 2.88Å; E114-P118 WeakPolarHBondContact O-CA 3.48Å; E114-P118 WeakPolarHBondContact O-CB 3.43Å; E114-F121 HydrophobicContact CG-CD2 4.39Å; E114-F121 HydrophobicContact CG-CE2 4.1Å; E114-M139 HydrophobicContact CG-CE 3.95Å; E114-M139 WeakPolarHBondContact OE1-CE 3.02Å; E114-M139 WeakPolarHBondContact OE1-CG 3.47Å; E114-K143 WeakPolarHBondContact OE1-CE 3.28Å; E114-K143 IonicContact OE1-NZ 3.89Å; E114-K143 PolarHBondContact OE1-NZ 3.23Å; E114-K143 VanDerWaalsContact OE2-CE 3.27Å; E114-K143 WeakPolarHBondContact OE2-CE 3.44Å; E114-K143 IonicContact OE2-NZ 3.75Å; E114-K143 PolarHBondContact OE2-NZ 2.68Å |
| 115 | R | 89.8 | Confident | 90.2 | Very high | 185 Ų | 185 | 57.9 Ų | 57.9 | 70% | 0.698 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -73.5 | -38.9 | -179.6 | -172.7 | -175.7 | 67.6 | -172.2 | -0.5 | 112.4 | K111 I112 R113 | K111-R115 WeakPolarHBondContact O-CB 3.41Å; K111-R115 PolarHBondContact O-N 2.98Å; I112-R115 PolarHBondContact O-N 3.49Å; R113-R115 VanDerWaalsContact C-N 3.28Å; R113-R115 PolarHBondContact O-N 3.31Å |
| 116 | N | 91.7 | Very high | 90.5 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 54% | 0.535 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -83.2 | -31.6 | -173.5 | -71.9 | 4.8 | 0 | 0 | 0 | 112.7 | I112 R113 | I112-N116 VanDerWaalsContact O-CB 3.31Å; I112-N116 WeakPolarHBondContact O-CB 3.27Å; I112-N116 VanDerWaalsContact O-CG 3.26Å; I112-N116 PolarHBondContact O-N 3.03Å; I112-N116 PolarHBondContact O-OD1 3.24Å; R113-N116 PolarHBondContact O-N 3.16Å |
| 117 | K | 91.9 | Very high | 90.9 | Very high | 53 Ų | 53 | 60 Ų | 60 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | trans | -133.9 | 62.5 | 178.1 | -64.9 | -153 | 178.8 | -165 | 0 | 112 | R113 E119 I120 E339 | R113-K117 PolarHBondContact O-N 2.67Å; K117-E119 VanDerWaalsContact C-OE2 3.23Å; K117-E119 WeakPolarHBondContact CA-OE1 3.48Å; K117-E119 VanDerWaalsContact CA-OE2 3.3Å; K117-E119 WeakPolarHBondContact CA-OE2 3.29Å; K117-E119 WeakPolarHBondContact CB-OE1 3.44Å; K117-E119 WeakPolarHBondContact CG-OE1 3.49Å; K117-E119 PolarHBondContact O-N 3Å; K117-I120 HydrophobicContact CB-CD1 3.77Å; K117-I120 HydrophobicContact CB-CG1 4.19Å; K117-I120 HydrophobicContact CD-CD1 3.62Å; K117-I120 HydrophobicContact CD-CG1 4.48Å; K117-I120 HydrophobicContact CG-CD1 4.35Å; K117-E339 IonicContact NZ-OE1 2.65Å; K117-E339 IonicContact NZ-OE2 3.17Å; K117-E339 PolarHBondContact NZ-OE2 3.07Å | ||
| 118 | P | 92.6 | Very high | 91.2 | Very high | 54 Ų | 54 | 56 Ų | 56 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -32.6 | 178 | 26.5 | -35.2 | 0 | 0 | 0 | 112.7 | E114 I120 F121 E122 | E114-P118 WeakPolarHBondContact O-CA 3.48Å; E114-P118 WeakPolarHBondContact O-CB 3.43Å; P118-I120 PolarHBondContact O-N 2.78Å; P118-I120 VanDerWaalsContact O-N 3.11Å; P118-F121 PolarHBondContact O-N 3.09Å; P118-E122 PolarHBondContact O-N 3.17Å; P118-E122 VanDerWaalsContact O-N 3.12Å |
| 119 | E | 93.6 | Very high | 91.4 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.9 | -29 | -176.9 | 66.4 | -75.4 | 172.4 | 0 | 0 | 113.1 | K117 L123 T336 | K117-E119 VanDerWaalsContact C-OE2 3.23Å; K117-E119 WeakPolarHBondContact CA-OE1 3.48Å; K117-E119 VanDerWaalsContact CA-OE2 3.3Å; K117-E119 WeakPolarHBondContact CA-OE2 3.29Å; K117-E119 WeakPolarHBondContact CB-OE1 3.44Å; K117-E119 WeakPolarHBondContact CG-OE1 3.49Å; K117-E119 PolarHBondContact O-N 3Å; E119-L123 WeakPolarHBondContact O-CB 3.49Å; E119-L123 PolarHBondContact O-N 3.04Å; E119-T336 HydrophobicContact CG-CG2 3.91Å |
| 120 | I | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 175.9 | -69.6 | 178.4 | 0 | 0 | 0 | 111 | L23 R113 K117 P118 L123 I124 T336 E339 I340 | L23-I120 HydrophobicContact CB-CG2 4.33Å; L23-I120 HydrophobicContact CD2-CG2 3.2Å; L23-I120 HydrophobicContact CG-CG2 4.39Å; R113-I120 VanDerWaalsContact NH2-CD1 3.34Å; K117-I120 HydrophobicContact CB-CD1 3.77Å; K117-I120 HydrophobicContact CB-CG1 4.19Å; K117-I120 HydrophobicContact CD-CD1 3.62Å; K117-I120 HydrophobicContact CD-CG1 4.48Å; K117-I120 HydrophobicContact CG-CD1 4.35Å; P118-I120 PolarHBondContact O-N 2.78Å; P118-I120 VanDerWaalsContact O-N 3.11Å; I120-L123 PolarHBondContact O-N 2.88Å; I120-I124 HydrophobicContact CG2-CD1 4.1Å; I120-I124 VanDerWaalsContact O-CG1 3.29Å; I120-I124 WeakPolarHBondContact O-CG1 3.29Å; I120-I124 PolarHBondContact O-N 3.06Å; I120-T336 HydrophobicContact CB-CG2 4.47Å; I120-T336 HydrophobicContact CG1-CG2 3.77Å; I120-E339 HydrophobicContact CD1-CG 4.32Å; I120-I340 HydrophobicContact CG2-CG1 4.13Å |
| 121 | F | 94 | Very high | 91.5 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.1 | -32.3 | -175.4 | -57.3 | -74.8 | 0 | 0 | 0 | 111.4 | L20 L23 I24 R113 E114 P118 Q125 H135 M139 | L20-F121 HydrophobicContact CD2-CD1 3.8Å; L23-F121 HydrophobicContact CB-CE1 4.21Å; I24-F121 HydrophobicContact CB-CE1 4.15Å; I24-F121 HydrophobicContact CB-CZ 4.42Å; I24-F121 HydrophobicContact CD1-CE1 4.24Å; I24-F121 HydrophobicContact CD1-CZ 3.94Å; R113-F121 HydrophobicContact CG-CE2 4.23Å; R113-F121 HydrophobicContact CG-CZ 4.02Å; E114-F121 HydrophobicContact CG-CD2 4.39Å; E114-F121 HydrophobicContact CG-CE2 4.1Å; P118-F121 PolarHBondContact O-N 3.09Å; F121-Q125 WeakPolarHBondContact O-CB 3.28Å; F121-Q125 PolarHBondContact O-N 3.23Å; F121-H135 PolarHBondContact O-CE1 3.3Å; F121-M139 HydrophobicContact CD1-CE 3.44Å; F121-M139 VanDerWaalsContact CD1-CE 3.44Å; F121-M139 HydrophobicContact CD1-SD 4.47Å; F121-M139 HydrophobicContact CE1-CE 3.51Å; F121-M139 HydrophobicContact CG-CE 4Å; F121-M139 HydrophobicContact CZ-CE 4.12Å |
| 122 | E | 92.4 | Very high | 91.6 | Very high | 108 Ų | 108 | 59 Ų | 59 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 169.8 | -67.4 | 178.4 | 171.4 | 0 | 0 | 110.6 | P118 I124 Q125 E126 | P118-E122 PolarHBondContact O-N 3.17Å; P118-E122 VanDerWaalsContact O-N 3.12Å; E122-I124 PolarHBondContact O-N 3.24Å; E122-Q125 WeakPolarHBondContact O-CA 3.36Å; E122-Q125 VanDerWaalsContact O-CB 3.29Å; E122-Q125 WeakPolarHBondContact O-CB 3.3Å; E122-Q125 PolarHBondContact O-N 2.83Å; E122-Q125 VanDerWaalsContact O-N 3.08Å; E122-E126 WeakPolarHBondContact O-CG 3.39Å; E122-E126 PolarHBondContact O-N 2.83Å |
| 123 | L | 93.9 | Very high | 91.6 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.5 | -178.9 | 59.1 | 0 | 0 | 0 | 112 | E119 I120 Q125 E126 V127 Y308 T336 A337 I340 | E119-L123 WeakPolarHBondContact O-CB 3.49Å; E119-L123 PolarHBondContact O-N 3.04Å; I120-L123 PolarHBondContact O-N 2.88Å; L123-Q125 PolarHBondContact O-N 3.05Å; L123-E126 PolarHBondContact O-N 3.27Å; L123-V127 HydrophobicContact CD1-CG2 3.8Å; L123-V127 HydrophobicContact CG-CG2 4.11Å; L123-V127 WeakPolarHBondContact O-CB 3.48Å; L123-V127 WeakPolarHBondContact O-CG2 3.43Å; L123-V127 PolarHBondContact O-N 2.81Å; L123-Y308 HydrophobicContact CD1-CD1 3.88Å; L123-Y308 HydrophobicContact CD1-CE1 3.49Å; L123-Y308 VanDerWaalsContact CD1-CE1 3.49Å; L123-T336 HydrophobicContact CD2-CG2 3.87Å; L123-A337 HydrophobicContact CD2-CB 4.05Å; L123-I340 HydrophobicContact CB-CD1 4.33Å; L123-I340 HydrophobicContact CD2-CD1 3.64Å; L123-I340 HydrophobicContact CG-CD1 3.97Å |
| 124 | I | 94.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -38 | 174.9 | -67 | 164 | 0 | 0 | 0 | 110.9 | Y16 T19 L20 L23 I120 E122 F128 I340 | Y16-I124 HydrophobicContact CD2-CG2 3.72Å; Y16-I124 HydrophobicContact CE2-CG2 3.84Å; T19-I124 HydrophobicContact CG2-CD1 3.85Å; T19-I124 HydrophobicContact CG2-CG1 4.16Å; L20-I124 HydrophobicContact CD2-CB 4.23Å; L20-I124 HydrophobicContact CD2-CD1 4.06Å; L20-I124 HydrophobicContact CD2-CG2 3.82Å; L20-I124 HydrophobicContact CG-CG2 4.07Å; L23-I124 HydrophobicContact CD2-CD1 3.77Å; I120-I124 HydrophobicContact CG2-CD1 4.1Å; I120-I124 VanDerWaalsContact O-CG1 3.29Å; I120-I124 WeakPolarHBondContact O-CG1 3.29Å; I120-I124 PolarHBondContact O-N 3.06Å; E122-I124 PolarHBondContact O-N 3.24Å; I124-F128 HydrophobicContact CG2-CD2 4.16Å; I124-F128 HydrophobicContact CG2-CE2 4.43Å; I124-F128 VanDerWaalsContact O-CD2 3.28Å; I124-F128 WeakPolarHBondContact O-CD2 3.48Å; I124-F128 PolarHBondContact O-N 2.95Å; I124-I340 HydrophobicContact CD1-CD1 4.45Å; I124-I340 HydrophobicContact CD1-CG1 4.38Å; I124-I340 HydrophobicContact CG1-CD1 3.82Å; I124-I340 HydrophobicContact CG1-CG1 4.26Å; I124-I340 HydrophobicContact CG1-CG2 4.39Å |
| 125 | Q | 93.9 | Very high | 91.7 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 176.6 | -173 | -159 | -40.5 | 0 | 0 | 111.4 | F121 E122 L123 G129 L130 K132 H135 | F121-Q125 WeakPolarHBondContact O-CB 3.28Å; F121-Q125 PolarHBondContact O-N 3.23Å; E122-Q125 WeakPolarHBondContact O-CA 3.36Å; E122-Q125 VanDerWaalsContact O-CB 3.29Å; E122-Q125 WeakPolarHBondContact O-CB 3.3Å; E122-Q125 PolarHBondContact O-N 2.83Å; E122-Q125 VanDerWaalsContact O-N 3.08Å; L123-Q125 PolarHBondContact O-N 3.05Å; Q125-G129 PolarHBondContact O-N 2.9Å; Q125-G129 VanDerWaalsContact O-N 3.14Å; Q125-L130 HydrophobicContact CG-CB 4.4Å; Q125-L130 WeakPolarHBondContact CG-O 3.34Å; Q125-L130 PolarHBondContact NE2-O 3.25Å; Q125-L130 PolarHBondContact O-N 2.83Å; Q125-L130 VanDerWaalsContact O-N 3.15Å; Q125-K132 VanDerWaalsContact NE2-CG 3.33Å; Q125-H135 HydrophobicContact CG-CB 3.9Å |
| 126 | E | 92.6 | Very high | 91.6 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.8 | -47.5 | -177.2 | -69 | 174.1 | 172.5 | 0 | 0 | 112 | E122 L123 F128 G129 Y308 | E122-E126 WeakPolarHBondContact O-CG 3.39Å; E122-E126 PolarHBondContact O-N 2.83Å; L123-E126 PolarHBondContact O-N 3.27Å; E126-F128 PolarHBondContact O-N 2.82Å; E126-G129 PolarHBondContact O-N 3.23Å; E126-Y308 HydrophobicContact CB-CE1 4.17Å; E126-Y308 HydrophobicContact CB-CE2 3.89Å; E126-Y308 WeakPolarHBondContact CB-OH 3.33Å; E126-Y308 PolarHBondContact OE2-OH 2.86Å |
| 127 | V | 92.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.7 | -38.6 | 179.1 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | L123 H304 L305 Y308 | L123-V127 HydrophobicContact CD1-CG2 3.8Å; L123-V127 HydrophobicContact CG-CG2 4.11Å; L123-V127 WeakPolarHBondContact O-CB 3.48Å; L123-V127 WeakPolarHBondContact O-CG2 3.43Å; L123-V127 PolarHBondContact O-N 2.81Å; V127-H304 HydrophobicContact CG1-CB 3.75Å; V127-L305 HydrophobicContact CG1-CD2 4.24Å; V127-L305 HydrophobicContact CG1-CG 4.2Å; V127-L305 HydrophobicContact CG2-CD2 3.62Å; V127-L305 HydrophobicContact CG2-CG 4.44Å; V127-Y308 HydrophobicContact CB-CD1 4.49Å; V127-Y308 HydrophobicContact CB-CG 4.37Å; V127-Y308 HydrophobicContact CG2-CD1 3.45Å; V127-Y308 VanDerWaalsContact CG2-CD1 3.45Å; V127-Y308 HydrophobicContact CG2-CE1 4.12Å; V127-Y308 HydrophobicContact CG2-CG 3.75Å |
| 128 | F | 92.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.9 | -180 | -74.3 | -92 | 0 | 0 | 0 | 113.4 | K12 V15 Y16 I124 E126 L130 L301 | K12-F128 VanDerWaalsContact CE-O 3.25Å; K12-F128 WeakPolarHBondContact CE-O 3.19Å; K12-F128 HydrophobicContact CG-CD1 3.58Å; K12-F128 HydrophobicContact CG-CE1 3.97Å; K12-F128 PolarHBondContact NZ-O 2.85Å; K12-F128 WeakPolarHBondContact O-CE1 3.43Å; V15-F128 HydrophobicContact CB-CE1 4.29Å; V15-F128 HydrophobicContact CB-CZ 4.43Å; V15-F128 HydrophobicContact CG1-CE1 4.2Å; V15-F128 HydrophobicContact CG1-CZ 3.86Å; Y16-F128 HydrophobicContact CD2-CB 3.92Å; Y16-F128 HydrophobicContact CD2-CD2 4.07Å; Y16-F128 AromaticContact CD2-CG 3.95Å; Y16-F128 HydrophobicContact CD2-CG 3.95Å; Y16-F128 HydrophobicContact CG-CB 4.46Å; Y16-F128 HydrophobicContact CG-CG 4.36Å; I124-F128 HydrophobicContact CG2-CD2 4.16Å; I124-F128 HydrophobicContact CG2-CE2 4.43Å; I124-F128 VanDerWaalsContact O-CD2 3.28Å; I124-F128 WeakPolarHBondContact O-CD2 3.48Å; I124-F128 PolarHBondContact O-N 2.95Å; E126-F128 PolarHBondContact O-N 2.82Å; F128-L130 HydrophobicContact CB-CD1 4.31Å; F128-L301 HydrophobicContact CE2-CD1 3.82Å; F128-L301 HydrophobicContact CZ-CD1 3.92Å |
| 129 | G | 89 | Confident | 91.3 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 69% | 0.691 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 33.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q125 E126 | Q125-G129 PolarHBondContact O-N 2.9Å; Q125-G129 VanDerWaalsContact O-N 3.14Å; E126-G129 PolarHBondContact O-N 3.23Å |
| 130 | L | 88.6 | Confident | 91 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | trans | -94.6 | 145.6 | -177 | -74.2 | 165.7 | 0 | 0 | 0 | 112.6 | Y16 Q125 F128 T134 | Y16-L130 HydrophobicContact CD1-CD1 3.54Å; Y16-L130 HydrophobicContact CD2-CD1 3.54Å; Y16-L130 HydrophobicContact CE1-CD1 3.39Å; Y16-L130 HydrophobicContact CE2-CD1 3.35Å; Y16-L130 HydrophobicContact CG-CD1 3.61Å; Q125-L130 HydrophobicContact CG-CB 4.4Å; Q125-L130 WeakPolarHBondContact CG-O 3.34Å; Q125-L130 PolarHBondContact NE2-O 3.25Å; Q125-L130 PolarHBondContact O-N 2.83Å; Q125-L130 VanDerWaalsContact O-N 3.15Å; F128-L130 HydrophobicContact CB-CD1 4.31Å; L130-T134 HydrophobicContact CD2-CG2 4.3Å | ||
| 131 | D | 89.8 | Confident | 90.8 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | trans | -73.2 | 152.7 | 174.2 | 74.6 | -88.5 | 0 | 0 | 0 | 111.9 | T133 T134 H135 | D131-T133 PolarHBondContact O-N 2.95Å; D131-T133 WeakPolarHBondContact OD2-CA 3.44Å; D131-T133 WeakPolarHBondContact OD2-CB 3.49Å; D131-T133 PolarHBondContact OD2-N 3.32Å; D131-T133 PolarHBondContact OD2-OG1 3.08Å; D131-T134 VanDerWaalsContact CG-OG1 3.27Å; D131-T134 PolarHBondContact O-N 2.83Å; D131-T134 WeakPolarHBondContact OD1-CB 3Å; D131-T134 PolarHBondContact OD1-OG1 3.13Å; D131-T134 PolarHBondContact OD2-N 2.98Å; D131-T134 PolarHBondContact OD2-OG1 2.86Å; D131-H135 WeakPolarHBondContact O-CB 3.38Å; D131-H135 PolarHBondContact O-N 2.77Å | ||
| 132 | K | 89.1 | Confident | 90.5 | Very high | 155 Ų | 155 | 58.7 Ų | 58.7 | 67% | 0.674 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.4 | -29.2 | -176.1 | -69 | -174.2 | 177.1 | -172.9 | 0 | 113.4 | Q125 S136 | Q125-K132 VanDerWaalsContact NE2-CG 3.33Å; K132-S136 WeakPolarHBondContact O-CB 3.45Å; K132-S136 PolarHBondContact O-N 3.39Å; K132-S136 PolarHBondContact O-OG 3.43Å |
| 133 | T | 88.8 | Confident | 90.3 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 63% | 0.632 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.6 | -43.7 | -177.1 | 66.5 | 0 | 0 | 0 | 0 | 111.7 | D131 S136 T137 | D131-T133 PolarHBondContact O-N 2.95Å; D131-T133 WeakPolarHBondContact OD2-CA 3.44Å; D131-T133 WeakPolarHBondContact OD2-CB 3.49Å; D131-T133 PolarHBondContact OD2-N 3.32Å; D131-T133 PolarHBondContact OD2-OG1 3.08Å; T133-S136 PolarHBondContact O-N 2.95Å; T133-T137 PolarHBondContact O-N 3.44Å; T133-T137 VanDerWaalsContact O-N 3.12Å; T133-T137 PolarHBondContact O-OG1 3.08Å |
| 134 | T | 89 | Confident | 89.9 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 172.5 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | L130 D131 S136 T137 H138 | L130-T134 HydrophobicContact CD2-CG2 4.3Å; D131-T134 VanDerWaalsContact CG-OG1 3.27Å; D131-T134 PolarHBondContact O-N 2.83Å; D131-T134 WeakPolarHBondContact OD1-CB 3Å; D131-T134 PolarHBondContact OD1-OG1 3.13Å; D131-T134 PolarHBondContact OD2-N 2.98Å; D131-T134 PolarHBondContact OD2-OG1 2.86Å; T134-S136 PolarHBondContact O-N 2.75Å; T134-T137 PolarHBondContact O-N 2.96Å; T134-H138 PolarHBondContact O-N 3.23Å |
| 135 | H | 91.6 | Very high | 89.3 | Confident | 20 Ų | 20 | 62 Ų | 62 | 9% | 0.093 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.9 | -51 | 174.6 | 177.6 | 81.2 | 0 | 0 | 0 | 112.1 | Y16 F121 Q125 D131 T137 H138 M139 | Y16-H135 AromaticContact CZ-ND1 3.83Å; Y16-H135 WeakPolarHBondContact OH-CA 3.13Å; Y16-H135 PolarHBondContact OH-ND1 2.81Å; F121-H135 PolarHBondContact O-CE1 3.3Å; Q125-H135 HydrophobicContact CG-CB 3.9Å; D131-H135 WeakPolarHBondContact O-CB 3.38Å; D131-H135 PolarHBondContact O-N 2.77Å; H135-T137 PolarHBondContact O-N 2.76Å; H135-H138 PolarHBondContact O-N 3.36Å; H135-M139 VanDerWaalsContact O-CB 3.3Å; H135-M139 WeakPolarHBondContact O-CB 3.49Å; H135-M139 PolarHBondContact O-N 3.42Å |
| 136 | S | 89.1 | Confident | 88.8 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 43% | 0.434 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.3 | -36 | 178.5 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | K132 T133 T134 K140 | K132-S136 WeakPolarHBondContact O-CB 3.45Å; K132-S136 PolarHBondContact O-N 3.39Å; K132-S136 PolarHBondContact O-OG 3.43Å; T133-S136 PolarHBondContact O-N 2.95Å; T134-S136 PolarHBondContact O-N 2.75Å; S136-K140 WeakPolarHBondContact O-CG 3.41Å; S136-K140 PolarHBondContact O-N 2.57Å |
| 137 | T | 89.8 | Confident | 88.2 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70 | -49.8 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | T133 T134 H135 M139 K140 Q141 | T133-T137 PolarHBondContact O-N 3.44Å; T133-T137 VanDerWaalsContact O-N 3.12Å; T133-T137 PolarHBondContact O-OG1 3.08Å; T134-T137 PolarHBondContact O-N 2.96Å; H135-T137 PolarHBondContact O-N 2.76Å; T137-M139 VanDerWaalsContact C-N 3.3Å; T137-M139 PolarHBondContact O-N 2.89Å; T137-K140 PolarHBondContact O-N 3.35Å; T137-Q141 WeakPolarHBondContact O-CG 3.27Å; T137-Q141 PolarHBondContact O-N 3.35Å; T137-Q141 VanDerWaalsContact O-N 3.11Å |
| 138 | H | 88.8 | Confident | 87.3 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 175.4 | -73.3 | 154.1 | 0 | 0 | 0 | 111.8 | Y16 T134 H135 K140 Q141 I142 | Y16-H138 HydrophobicContact CE1-CB 3.95Å; Y16-H138 AromaticContact CE1-ND1 3.52Å; T134-H138 PolarHBondContact O-N 3.23Å; H135-H138 PolarHBondContact O-N 3.36Å; H138-K140 VanDerWaalsContact C-N 3.34Å; H138-K140 PolarHBondContact O-N 3.38Å; H138-Q141 WeakPolarHBondContact O-CB 3.22Å; H138-Q141 PolarHBondContact O-N 2.86Å; H138-Q141 VanDerWaalsContact O-N 3.16Å; H138-I142 WeakPolarHBondContact O-CB 3.37Å; H138-I142 VanDerWaalsContact O-CG1 3.22Å; H138-I142 WeakPolarHBondContact O-CG1 3.36Å; H138-I142 PolarHBondContact O-N 3.09Å |
| 139 | M | 90 | Very high | 86 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.034 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.9 | -165.5 | 55.9 | 166.4 | 0 | 0 | 112.3 | L20 I24 E114 F121 H135 T137 I142 K143 | L20-M139 HydrophobicContact CD1-SD 4.32Å; L20-M139 HydrophobicContact CD2-SD 4.27Å; I24-M139 HydrophobicContact CB-CE 4.06Å; I24-M139 HydrophobicContact CD1-CE 3.38Å; I24-M139 HydrophobicContact CG1-CE 3.71Å; E114-M139 HydrophobicContact CG-CE 3.95Å; E114-M139 WeakPolarHBondContact OE1-CE 3.02Å; E114-M139 WeakPolarHBondContact OE1-CG 3.47Å; F121-M139 HydrophobicContact CD1-CE 3.44Å; F121-M139 VanDerWaalsContact CD1-CE 3.44Å; F121-M139 HydrophobicContact CD1-SD 4.47Å; F121-M139 HydrophobicContact CE1-CE 3.51Å; F121-M139 HydrophobicContact CG-CE 4Å; F121-M139 HydrophobicContact CZ-CE 4.12Å; H135-M139 VanDerWaalsContact O-CB 3.3Å; H135-M139 WeakPolarHBondContact O-CB 3.49Å; H135-M139 PolarHBondContact O-N 3.42Å; T137-M139 VanDerWaalsContact C-N 3.3Å; T137-M139 PolarHBondContact O-N 2.89Å; M139-I142 PolarHBondContact O-N 3.09Å; M139-K143 WeakPolarHBondContact O-CG 3.47Å; M139-K143 PolarHBondContact O-N 3.22Å |
| 140 | K | 88.9 | Confident | 84.8 | Confident | 155 Ų | 155 | 58.3 Ų | 58.3 | 67% | 0.674 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 172.3 | -74.2 | 175.4 | -176.9 | 175.7 | 0 | 112.1 | S136 T137 H138 I142 Q144 | S136-K140 WeakPolarHBondContact O-CG 3.41Å; S136-K140 PolarHBondContact O-N 2.57Å; T137-K140 PolarHBondContact O-N 3.35Å; H138-K140 VanDerWaalsContact C-N 3.34Å; H138-K140 PolarHBondContact O-N 3.38Å; K140-I142 VanDerWaalsContact C-N 3.34Å; K140-I142 PolarHBondContact O-N 2.98Å; K140-Q144 PolarHBondContact O-N 2.82Å; K140-Q144 VanDerWaalsContact O-N 3.14Å |
| 141 | Q | 87.8 | Confident | 83.4 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 178.4 | -70.2 | 174.4 | -7.5 | 0 | 0 | 111.7 | T137 H138 Q144 S145 | T137-Q141 WeakPolarHBondContact O-CG 3.27Å; T137-Q141 PolarHBondContact O-N 3.35Å; T137-Q141 VanDerWaalsContact O-N 3.11Å; H138-Q141 WeakPolarHBondContact O-CB 3.22Å; H138-Q141 PolarHBondContact O-N 2.86Å; H138-Q141 VanDerWaalsContact O-N 3.16Å; Q141-Q144 WeakPolarHBondContact O-CB 3.48Å; Q141-Q144 PolarHBondContact O-N 2.73Å; Q141-S145 PolarHBondContact O-N 2.73Å |
| 142 | I | 88.6 | Confident | 82.2 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.7 | -43.3 | -179.1 | -70.1 | 169.1 | 0 | 0 | 0 | 111.3 | K17 L20 Q21 I24 H138 M139 K140 Q144 S145 V146 | K17-I142 HydrophobicContact CB-CD1 4.28Å; K17-I142 WeakPolarHBondContact O-CD1 3.49Å; L20-I142 HydrophobicContact CB-CD1 3.46Å; L20-I142 VanDerWaalsContact CB-CD1 3.46Å; L20-I142 HydrophobicContact CD1-CD1 3.69Å; L20-I142 HydrophobicContact CG-CD1 4.24Å; Q21-I142 VanDerWaalsContact CA-CG2 3.42Å; Q21-I142 HydrophobicContact CB-CG2 3.7Å; Q21-I142 HydrophobicContact CG-CG2 4.04Å; I24-I142 HydrophobicContact CG2-CG2 4.11Å; H138-I142 WeakPolarHBondContact O-CB 3.37Å; H138-I142 VanDerWaalsContact O-CG1 3.22Å; H138-I142 WeakPolarHBondContact O-CG1 3.36Å; H138-I142 PolarHBondContact O-N 3.09Å; M139-I142 PolarHBondContact O-N 3.09Å; K140-I142 VanDerWaalsContact C-N 3.34Å; K140-I142 PolarHBondContact O-N 2.98Å; I142-Q144 PolarHBondContact O-N 3.38Å; I142-S145 WeakPolarHBondContact O-CB 3.36Å; I142-S145 PolarHBondContact O-N 2.65Å; I142-S145 VanDerWaalsContact O-N 3.09Å; I142-V146 WeakPolarHBondContact O-CG2 3.45Å; I142-V146 PolarHBondContact O-N 2.76Å |
| 143 | K | 88.3 | Confident | 81.6 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 21% | 0.213 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.5 | -43.7 | 171.7 | -72.2 | 172.8 | -166.6 | 171.1 | 0 | 111.1 | I24 M110 E114 M139 V146 L147 | I24-K143 HydrophobicContact CG1-CG 4.08Å; M110-K143 HydrophobicContact CE-CB 4.43Å; M110-K143 HydrophobicContact SD-CB 4.15Å; M110-K143 HydrophobicContact SD-CG 3.97Å; E114-K143 WeakPolarHBondContact OE1-CE 3.28Å; E114-K143 IonicContact OE1-NZ 3.89Å; E114-K143 PolarHBondContact OE1-NZ 3.23Å; E114-K143 VanDerWaalsContact OE2-CE 3.27Å; E114-K143 WeakPolarHBondContact OE2-CE 3.44Å; E114-K143 IonicContact OE2-NZ 3.75Å; E114-K143 PolarHBondContact OE2-NZ 2.68Å; M139-K143 WeakPolarHBondContact O-CG 3.47Å; M139-K143 PolarHBondContact O-N 3.22Å; K143-V146 PolarHBondContact O-N 2.75Å; K143-L147 VanDerWaalsContact O-CG 3.25Å; K143-L147 WeakPolarHBondContact O-CG 3.2Å; K143-L147 PolarHBondContact O-N 3.16Å |
| 144 | Q | 85.1 | Confident | 81.2 | Confident | 93 Ų | 93 | 55 Ų | 55 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 176.8 | -168.8 | 58.4 | 47.6 | 0 | 0 | 111.8 | K140 Q141 I142 V146 L147 D148 | K140-Q144 PolarHBondContact O-N 2.82Å; K140-Q144 VanDerWaalsContact O-N 3.14Å; Q141-Q144 WeakPolarHBondContact O-CB 3.48Å; Q141-Q144 PolarHBondContact O-N 2.73Å; I142-Q144 PolarHBondContact O-N 3.38Å; Q144-V146 VanDerWaalsContact C-N 3.33Å; Q144-V146 PolarHBondContact O-N 2.86Å; Q144-L147 PolarHBondContact O-N 3.29Å; Q144-L147 VanDerWaalsContact O-N 3.11Å; Q144-D148 PolarHBondContact NE2-OD1 3.4Å; Q144-D148 PolarHBondContact O-N 2.71Å |
| 145 | S | 83 | Confident | 80.9 | Confident | 56 Ų | 56 | 53 Ų | 53 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 112.9 | Q21 Q141 I142 L147 | Q21-S145 PolarHBondContact NE2-OG 3.09Å; Q141-S145 PolarHBondContact O-N 2.73Å; I142-S145 WeakPolarHBondContact O-CB 3.36Å; I142-S145 PolarHBondContact O-N 2.65Å; I142-S145 VanDerWaalsContact O-N 3.09Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-L147 PolarHBondContact O-N 2.95Å |
| 146 | V | 81.4 | Confident | 80.7 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | Q21 I24 Y25 M110 I142 K143 Q144 | Q21-V146 HydrophobicContact CG-CG2 3.92Å; I24-V146 HydrophobicContact CG2-CG2 4.13Å; Y25-V146 HydrophobicContact CD1-CG1 4.29Å; Y25-V146 HydrophobicContact CG-CG1 4.21Å; M110-V146 HydrophobicContact CE-CG1 4.41Å; M110-V146 HydrophobicContact SD-CB 4.09Å; M110-V146 HydrophobicContact SD-CG1 4.04Å; I142-V146 WeakPolarHBondContact O-CG2 3.45Å; I142-V146 PolarHBondContact O-N 2.76Å; K143-V146 PolarHBondContact O-N 2.75Å; Q144-V146 VanDerWaalsContact C-N 3.33Å; Q144-V146 PolarHBondContact O-N 2.86Å |
| 147 | L | 80.3 | Confident | 80.8 | Confident | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76 | -34.7 | 179.7 | -62.8 | 168.8 | 0 | 0 | 0 | 113.4 | I103 L106 K107 M110 K143 Q144 S145 G149 | I103-L147 HydrophobicContact CG2-CD2 4.12Å; L106-L147 HydrophobicContact CB-CD2 3.63Å; L106-L147 HydrophobicContact CD1-CD2 4.38Å; K107-L147 HydrophobicContact CD-CD1 4.11Å; K107-L147 HydrophobicContact CG-CD1 3.62Å; K107-L147 HydrophobicContact CG-CD2 3.91Å; K107-L147 HydrophobicContact CG-CG 4.39Å; M110-L147 HydrophobicContact CE-CD1 4.24Å; M110-L147 HydrophobicContact CE-CD2 3.55Å; M110-L147 HydrophobicContact CE-CG 3.75Å; K143-L147 VanDerWaalsContact O-CG 3.25Å; K143-L147 WeakPolarHBondContact O-CG 3.2Å; K143-L147 PolarHBondContact O-N 3.16Å; Q144-L147 PolarHBondContact O-N 3.29Å; Q144-L147 VanDerWaalsContact O-N 3.11Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-L147 PolarHBondContact O-N 2.95Å; L147-G149 PolarHBondContact O-N 3.07Å |
| 148 | D | 74.1 | Confident | 80.8 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -24.1 | 175.8 | -80.5 | 18.7 | 0 | 0 | 0 | 111.3 | Q144 S151 K152 | Q144-D148 PolarHBondContact NE2-OD1 3.4Å; Q144-D148 PolarHBondContact O-N 2.71Å; D148-S151 PolarHBondContact O-OG 2.93Å; D148-K152 IonicContact OD2-NZ 2.89Å; D148-K152 PolarHBondContact OD2-NZ 3.18Å |
| 149 | G | 65.3 | Low | 81 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | 58.7 | -154.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L147 S151 | L147-G149 PolarHBondContact O-N 3.07Å; G149-S151 VanDerWaalsContact C-N 3.25Å; G149-S151 PolarHBondContact O-N 3.5Å |
| 150 | T | 62.5 | Low | 81.3 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -83.1 | 0.3 | -178.3 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | E88 K152 W153 S213 | E88-T150 WeakPolarHBondContact CG-OG1 3.44Å; E88-T150 WeakPolarHBondContact OE1-CB 3.15Å; E88-T150 WeakPolarHBondContact OE1-CG2 3.13Å; E88-T150 PolarHBondContact OE1-OG1 2.91Å; T150-K152 VanDerWaalsContact C-N 3.28Å; T150-K152 PolarHBondContact O-N 2.85Å; T150-W153 WeakPolarHBondContact O-CB 3.15Å; T150-W153 PolarHBondContact O-N 3.46Å; T150-S213 WeakPolarHBondContact CG2-OG 3.32Å |
| 151 | S | 60.1 | Low | 81.5 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 57% | 0.573 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -64.3 | -28.4 | -174 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | D148 G149 | D148-S151 PolarHBondContact O-OG 2.93Å; G149-S151 VanDerWaalsContact C-N 3.25Å; G149-S151 PolarHBondContact O-N 3.5Å |
| 152 | K | 64.9 | Low | 81.8 | Confident | 155 Ų | 155 | 40.6 Ų | 40.6 | 67% | 0.674 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -103.3 | 3 | 175.1 | -64.6 | 178.1 | -174.9 | 165.2 | 0 | 113 | D148 T150 | D148-K152 IonicContact OD2-NZ 2.89Å; D148-K152 PolarHBondContact OD2-NZ 3.18Å; T150-K152 VanDerWaalsContact C-N 3.28Å; T150-K152 PolarHBondContact O-N 2.85Å |
| 153 | W | 75.8 | Confident | 82 | Confident | 47 Ų | 47 | 41 Ų | 41 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | trans | -89.9 | 125.7 | -172.9 | -169.6 | 92.5 | 0 | 0 | 0 | 110.9 | T150 A155 C210 H211 N212 V251 I285 | T150-W153 WeakPolarHBondContact O-CB 3.15Å; T150-W153 PolarHBondContact O-N 3.46Å; W153-A155 HydrophobicContact CH2-CB 3.44Å; W153-A155 VanDerWaalsContact CH2-CB 3.44Å; W153-A155 HydrophobicContact CZ2-CB 3.62Å; W153-A155 HydrophobicContact CZ3-CB 4.16Å; W153-C210 HydrophobicContact CH2-CB 4.31Å; W153-C210 HydrophobicContact CZ3-CB 4.08Å; W153-C210 WeakPolarHBondContact CZ3-O 3.34Å; W153-H211 CarbonylContact O-C 3.54Å; W153-N212 VanDerWaalsContact CZ3-C 3.44Å; W153-V251 HydrophobicContact CH2-CG1 3.1Å; W153-V251 HydrophobicContact CZ2-CG1 3.64Å; W153-V251 HydrophobicContact CZ3-CG1 3.89Å; W153-I285 HydrophobicContact CZ2-CD1 4.38Å; W153-I285 HydrophobicContact CZ2-CG1 4.3Å | ||
| 154 | S | 79.9 | Confident | 82.1 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | trans | -149.3 | 136.3 | 170.8 | 63.5 | 0 | 0 | 0 | 0 | 109.6 | C210 K286 | S154-C210 CarbonylContact C-O 3.47Å; S154-C210 WeakPolarHBondContact CA-O 3.45Å; S154-K286 WeakPolarHBondContact O-CB 3.36Å; S154-K286 PolarHBondContact O-N 3.06Å; S154-K286 WeakPolarHBondContact OG-CB 3.37Å | ||
| 155 | A | 84.2 | Confident | 82.2 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W153 C210 V283 E284 I285 | W153-A155 HydrophobicContact CH2-CB 3.44Å; W153-A155 VanDerWaalsContact CH2-CB 3.44Å; W153-A155 HydrophobicContact CZ2-CB 3.62Å; W153-A155 HydrophobicContact CZ3-CB 4.16Å; A155-C210 PolarHBondContact N-O 3.3Å; A155-C210 PolarHBondContact O-N 2.95Å; A155-V283 HydrophobicContact CB-CG1 3.72Å; A155-E284 CarbonylContact C-O 3.52Å; A155-E284 WeakPolarHBondContact CA-O 3.11Å; A155-I285 HydrophobicContact CB-CG1 4Å |
| 156 | K | 87.5 | Confident | 82.2 | Confident | 122 Ų | 122 | 33.4 Ų | 33.4 | 53% | 0.53 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.5 | 163.8 | -69.9 | -178.3 | 179.4 | 177.5 | 0 | 108.2 | V283 E284 | K156-V283 WeakPolarHBondContact O-CA 3.32Å; K156-E284 HydrophobicContact CB-CB 4.44Å; K156-E284 PolarHBondContact N-O 2.64Å; K156-E284 PolarHBondContact O-N 2.97Å |
| 157 | I | 89.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.9 | -177.8 | -51.3 | 179.8 | 0 | 0 | 0 | 107.5 | I159 H207 F208 C210 I217 V251 I281 S282 V283 | I157-I159 HydrophobicContact CG2-CD1 4.03Å; I157-I159 HydrophobicContact CG2-CG1 3.68Å; I157-H207 CarbonylContact O-C 3.6Å; I157-H207 WeakPolarHBondContact O-CA 3.23Å; I157-F208 PolarHBondContact N-O 3.08Å; I157-F208 PolarHBondContact O-N 3.1Å; I157-C210 HydrophobicContact CD1-CB 3.61Å; I157-C210 HydrophobicContact CG1-CB 4.19Å; I157-I217 HydrophobicContact CD1-CD1 4.12Å; I157-I217 HydrophobicContact CG2-CD1 4.02Å; I157-V251 HydrophobicContact CD1-CG1 4.29Å; I157-V251 HydrophobicContact CD1-CG2 4.15Å; I157-I281 HydrophobicContact CG2-CG2 3.96Å; I157-S282 WeakPolarHBondContact CA-O 3.36Å; I157-V283 HydrophobicContact CG1-CG1 4.47Å; I157-V283 HydrophobicContact CG1-CG2 4.34Å; I157-V283 HydrophobicContact CG2-CG2 4.19Å |
| 158 | S | 91.1 | Very high | 82.8 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122.3 | 168.9 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | H207 I281 S282 | S158-H207 PolarHBondContact OG-NE2 2.89Å; S158-I281 CarbonylContact O-C 3.58Å; S158-I281 VanDerWaalsContact O-CA 3.31Å; S158-I281 WeakPolarHBondContact O-CA 3.44Å; S158-S282 PolarHBondContact N-O 3.04Å; S158-S282 PolarHBondContact O-N 3.41Å |
| 159 | I | 93.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 111.2 | -177.8 | -54.9 | 170.4 | 0 | 0 | 0 | 107.6 | I157 V161 V182 V184 S205 F206 F208 I217 M279 I281 | I157-I159 HydrophobicContact CG2-CD1 4.03Å; I157-I159 HydrophobicContact CG2-CG1 3.68Å; I159-V161 HydrophobicContact CG2-CG2 4.43Å; I159-V182 HydrophobicContact CD1-CG1 3.66Å; I159-V184 HydrophobicContact CD1-CG2 4.28Å; I159-S205 CarbonylContact O-C 3.46Å; I159-S205 WeakPolarHBondContact O-CA 3.46Å; I159-F206 PolarHBondContact N-O 2.99Å; I159-F206 PolarHBondContact O-N 2.89Å; I159-F208 HydrophobicContact CD1-CD2 3.9Å; I159-F208 HydrophobicContact CD1-CE2 3.95Å; I159-F208 HydrophobicContact CG1-CD2 4.48Å; I159-I217 HydrophobicContact CD1-CD1 3.98Å; I159-I217 HydrophobicContact CD1-CG2 3.66Å; I159-M279 HydrophobicContact CG2-SD 4.33Å; I159-I281 HydrophobicContact CG1-CG2 4.35Å; I159-I281 HydrophobicContact CG2-CG1 4.32Å |
| 160 | T | 94.7 | Very high | 84.2 | Confident | 25 Ų | 25 | 34.6 Ų | 34.6 | 15% | 0.153 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.1 | 168.5 | -55.1 | 0 | 0 | 0 | 0 | 108.8 | V162 E204 S205 M279 H280 | T160-V162 HydrophobicContact CG2-CG2 4.33Å; T160-V162 PolarHBondContact O-N 2.83Å; T160-E204 CarbonylContact C-O 3.5Å; T160-E204 WeakPolarHBondContact CA-O 3.47Å; T160-S205 PolarHBondContact OG1-OG 2.98Å; T160-M279 WeakPolarHBondContact O-CA 3.33Å; T160-H280 PolarHBondContact N-O 3.03Å; T160-H280 PolarHBondContact O-N 3.33Å |
| 161 | V | 94.6 | Very high | 85 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 107.3 | 171.9 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | I159 V180 V182 T191 W202 E203 E204 F206 I277 | I159-V161 HydrophobicContact CG2-CG2 4.43Å; V161-V180 HydrophobicContact CG1-CB 4.18Å; V161-V180 HydrophobicContact CG1-CG1 4.27Å; V161-V180 HydrophobicContact CG1-CG2 3.96Å; V161-V180 HydrophobicContact CG2-CG1 4.33Å; V161-V182 HydrophobicContact CG2-CG2 3.79Å; V161-T191 HydrophobicContact CB-CG2 4.12Å; V161-T191 HydrophobicContact CG1-CG2 4.22Å; V161-T191 HydrophobicContact CG2-CG2 4.32Å; V161-W202 HydrophobicContact CG1-CB 4.47Å; V161-W202 HydrophobicContact CG1-CD2 4.22Å; V161-W202 HydrophobicContact CG1-CE3 3.68Å; V161-W202 HydrophobicContact CG1-CZ3 4.24Å; V161-E203 VanDerWaalsContact O-CA 3.32Å; V161-E203 WeakPolarHBondContact O-CA 3.45Å; V161-E203 PolarHBondContact O-N 2.75Å; V161-E204 PolarHBondContact N-O 3.1Å; V161-E204 PolarHBondContact O-N 2.85Å; V161-E204 VanDerWaalsContact O-N 3.08Å; V161-F206 HydrophobicContact CG2-CD2 4.2Å; V161-F206 HydrophobicContact CG2-CE2 3.95Å; V161-I277 HydrophobicContact CG1-CD1 4.06Å |
| 162 | V | 93.9 | Very high | 85.7 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -67.2 | -171.6 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | T160 W202 E203 R278 H280 | T160-V162 HydrophobicContact CG2-CG2 4.33Å; T160-V162 PolarHBondContact O-N 2.83Å; V162-W202 PolarHBondContact O-N 2.82Å; V162-E203 HydrophobicContact CG1-CG 4.46Å; V162-E203 PolarHBondContact O-N 2.94Å; V162-E203 VanDerWaalsContact O-N 3.13Å; V162-R278 HydrophobicContact CB-CB 4.39Å; V162-R278 HydrophobicContact CB-CG 4.42Å; V162-R278 PolarHBondContact N-O 2.99Å; V162-R278 VanDerWaalsContact N-O 3.1Å; V162-H280 HydrophobicContact CG2-CB 4.09Å |
| 163 | C | 92.8 | Very high | 86.1 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 168.1 | -176.4 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | P200 V201 I277 R278 | C163-P200 CarbonylContact C-O 3.6Å; C163-P200 WeakPolarHBondContact CA-O 3.34Å; C163-P200 WeakPolarHBondContact CB-O 3.41Å; C163-V201 HydrophobicContact CB-CB 4.37Å; C163-V201 HydrophobicContact CB-CG2 3.95Å; C163-I277 WeakPolarHBondContact O-CG1 3.4Å; C163-R278 PolarHBondContact O-N 2.97Å |
| 164 | A | 90.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 160.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L167 N199 P200 W202 A276 I277 | A164-L167 HydrophobicContact CB-CD1 4.04Å; A164-L167 HydrophobicContact CB-CD2 4.01Å; A164-L167 HydrophobicContact CB-CG 4.1Å; A164-N199 CarbonylContact O-C 3.55Å; A164-N199 WeakPolarHBondContact O-CA 3.34Å; A164-P200 HydrophobicContact CB-CG 4Å; A164-P200 PolarHBondContact N-O 3.25Å; A164-W202 HydrophobicContact CB-CH2 3.74Å; A164-W202 HydrophobicContact CB-CZ3 3.6Å; A164-A276 CarbonylContact C-O 3.57Å; A164-A276 VanDerWaalsContact CA-O 3.28Å; A164-A276 WeakPolarHBondContact CA-O 3.25Å; A164-A276 WeakPolarHBondContact CB-O 3.23Å; A164-I277 HydrophobicContact CB-CB 4.38Å; A164-I277 HydrophobicContact CB-CG1 4.36Å |
| 165 | Q | 85.3 | Confident | 86.3 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.4 | -179.6 | -170.3 | 170.8 | 24.1 | 0 | 0 | 110.4 | N199 W261 G275 A276 D401 | Q165-N199 WeakPolarHBondContact CA-OD1 3.45Å; Q165-N199 WeakPolarHBondContact CG-OD1 3.25Å; Q165-W261 HydrophobicContact CB-CH2 3.87Å; Q165-W261 HydrophobicContact CB-CZ3 3.84Å; Q165-G275 CarbonylContact O-C 3.55Å; Q165-G275 WeakPolarHBondContact O-CA 3.2Å; Q165-A276 PolarHBondContact N-O 2.79Å; Q165-A276 PolarHBondContact O-N 2.97Å; Q165-D401 PolarHBondContact NE2-OD1 3.44Å; Q165-D401 VanDerWaalsContact NE2-OD1 3.1Å |
| 166 | G | 84.1 | Confident | 86.5 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 74.6 | 31.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L198 N199 S274 G275 | G166-L198 PolarHBondContact N-O 2.74Å; G166-N199 PolarHBondContact N-OD1 2.9Å; G166-S274 CarbonylContact O-C 3.42Å; G166-S274 VanDerWaalsContact O-C 3.25Å; G166-S274 PolarHBondContact O-OG 3.39Å; G166-G275 VanDerWaalsContact O-CA 3.27Å; G166-G275 WeakPolarHBondContact O-CA 2.98Å; G166-G275 PolarHBondContact O-N 3Å |
| 167 | L | 88.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 152.4 | 179.1 | -61.9 | 178.6 | 0 | 0 | 0 | 111.5 | A164 A169 P178 L198 P200 V221 L244 L264 | A164-L167 HydrophobicContact CB-CD1 4.04Å; A164-L167 HydrophobicContact CB-CD2 4.01Å; A164-L167 HydrophobicContact CB-CG 4.1Å; L167-A169 PolarHBondContact O-N 3.49Å; L167-P178 HydrophobicContact CD1-CB 3.58Å; L167-P178 HydrophobicContact CD1-CG 3.77Å; L167-L198 HydrophobicContact CB-CB 4.39Å; L167-L198 HydrophobicContact CB-CD2 4.36Å; L167-L198 WeakPolarHBondContact CB-O 3.44Å; L167-L198 WeakPolarHBondContact CG-O 3.49Å; L167-L198 PolarHBondContact N-O 3.42Å; L167-P200 HydrophobicContact CD1-CG 3.84Å; L167-V221 HydrophobicContact CD1-CG1 4.14Å; L167-V221 HydrophobicContact CD2-CG1 4.27Å; L167-L244 HydrophobicContact CD1-CD1 4.39Å; L167-L264 HydrophobicContact CD2-CD1 3.4Å |
| 168 | Q | 85.3 | Confident | 86.8 | Confident | 45 Ų | 45 | 35.5 Ų | 35.5 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 121.3 | 178.6 | 178.3 | 62.2 | 59.6 | 0 | 0 | 109.5 | K170 S176 L244 A272 S274 | Q168-K170 PolarHBondContact O-N 3.39Å; Q168-S176 PolarHBondContact O-OG 2.97Å; Q168-L244 WeakPolarHBondContact O-CD2 3.06Å; Q168-A272 HydrophobicContact CG-CB 4.41Å; Q168-S274 WeakPolarHBondContact CA-OG 3.46Å; Q168-S274 PolarHBondContact N-OG 3Å; Q168-S274 VanDerWaalsContact N-OG 3.14Å |
| 169 | A | 84.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 35 Ų | 35 | 21% | 0.207 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 126.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L167 G174 S175 L198 | L167-A169 PolarHBondContact O-N 3.49Å; A169-G174 VanDerWaalsContact CB-C 3.48Å; A169-G174 WeakPolarHBondContact CB-O 3.44Å; A169-S175 WeakPolarHBondContact CA-O 3.43Å; A169-L198 HydrophobicContact CB-CD1 4.12Å; A169-L198 HydrophobicContact CB-CD2 4.15Å |
| 170 | K | 84.1 | Confident | 87 | Confident | 64 Ų | 64 | 35 Ų | 35 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | trans | -113.8 | -24.1 | 174.2 | -60.2 | -74.6 | 179.6 | 177.9 | 0 | 112.3 | Q168 S175 S176 D223 D242 L244 A272 | Q168-K170 PolarHBondContact O-N 3.39Å; K170-S175 PolarHBondContact N-O 2.92Å; K170-S175 VanDerWaalsContact N-O 3.14Å; K170-S176 PolarHBondContact N-OG 2.94Å; K170-S176 VanDerWaalsContact N-OG 3.07Å; K170-D223 VanDerWaalsContact CB-OD2 3.31Å; K170-D223 WeakPolarHBondContact CB-OD2 2.97Å; K170-D242 HydrophobicContact CB-CB 4.46Å; K170-D242 HydrophobicContact CG-CB 4.28Å; K170-L244 HydrophobicContact CD-CD2 4.48Å; K170-L244 HydrophobicContact CG-CD2 3.49Å; K170-L244 VanDerWaalsContact CG-CD2 3.49Å; K170-A272 PolarHBondContact NZ-O 2.82Å | ||
| 171 | D | 79.6 | Confident | 87 | Confident | 40 Ų | 40 | 34 Ų | 34 | 21% | 0.214 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -70.4 | 150.1 | 175.8 | -66.9 | -37.8 | 0 | 0 | 0 | 112.4 | T173 G174 S175 S176 | D171-T173 VanDerWaalsContact CB-OG1 3.25Å; D171-T173 WeakPolarHBondContact CB-OG1 3.39Å; D171-T173 PolarHBondContact O-N 2.69Å; D171-T173 VanDerWaalsContact O-N 3.13Å; D171-G174 PolarHBondContact O-N 2.53Å; D171-S175 VanDerWaalsContact CB-O 3.24Å; D171-S175 WeakPolarHBondContact CB-O 3.27Å; D171-S175 PolarHBondContact N-O 3.2Å; D171-S176 WeakPolarHBondContact OD2-CA 3.2Å |
| 172 | K | 74.3 | Confident | 86.9 | Confident | 220 Ų | 220 | 34 Ų | 34 | 96% | 0.957 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.6 | 172.5 | -65.2 | 179.7 | -176.7 | 169.4 | 0 | 113.4 | G174 | K172-G174 PolarHBondContact O-N 3.47Š|
| 173 | T | 73.8 | Confident | 86.7 | Confident | 119 Ų | 119 | 35.1 Ų | 35.1 | 73% | 0.73 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10.3 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | D171 | D171-T173 VanDerWaalsContact CB-OG1 3.25Å; D171-T173 WeakPolarHBondContact CB-OG1 3.39Å; D171-T173 PolarHBondContact O-N 2.69Å; D171-T173 VanDerWaalsContact O-N 3.13Å |
| 174 | G | 78.8 | Confident | 86.4 | Confident | 49 Ų | 49 | 34.6 Ų | 34.6 | 51% | 0.505 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 82.6 | 19.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A169 D171 K172 | A169-G174 VanDerWaalsContact CB-C 3.48Å; A169-G174 WeakPolarHBondContact CB-O 3.44Å; D171-G174 PolarHBondContact O-N 2.53Å; K172-G174 PolarHBondContact O-N 3.47Å |
| 175 | S | 82.7 | Confident | 85.8 | Confident | 20 Ų | 20 | 36 Ų | 36 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | trans | -129 | -167 | 176.4 | -153.9 | 0 | 0 | 0 | 0 | 112.1 | A169 K170 D171 G196 N197 | A169-S175 WeakPolarHBondContact CA-O 3.43Å; K170-S175 PolarHBondContact N-O 2.92Å; K170-S175 VanDerWaalsContact N-O 3.14Å; D171-S175 VanDerWaalsContact CB-O 3.24Å; D171-S175 WeakPolarHBondContact CB-O 3.27Å; D171-S175 PolarHBondContact N-O 3.2Å; S175-G196 WeakPolarHBondContact OG-CA 3.42Å; S175-G196 PolarHBondContact OG-O 3.07Å; S175-N197 PolarHBondContact OG-N 2.98Å | ||
| 176 | S | 87.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -150.9 | 158.5 | 170 | -79.3 | 0 | 0 | 0 | 0 | 109.8 | Q168 K170 D171 P178 G196 N197 D223 | Q168-S176 PolarHBondContact O-OG 2.97Å; K170-S176 PolarHBondContact N-OG 2.94Å; K170-S176 VanDerWaalsContact N-OG 3.07Å; D171-S176 WeakPolarHBondContact OD2-CA 3.2Å; S176-P178 WeakPolarHBondContact O-CD 3.2Å; S176-G196 CarbonylContact O-C 3.59Å; S176-G196 WeakPolarHBondContact O-CA 3.43Å; S176-G196 PolarHBondContact O-N 2.88Å; S176-N197 PolarHBondContact O-N 2.84Å; S176-D223 WeakPolarHBondContact CA-OD2 3.28Å; S176-D223 WeakPolarHBondContact CB-OD2 3.45Å; S176-D223 PolarHBondContact OG-OD2 2.99Å | ||
| 177 | D | 90.3 | Very high | 85.5 | Confident | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | trans | -104.8 | 70.1 | 173.7 | -63.9 | -25.3 | 0 | 0 | 0 | 110.9 | T193 I194 Y195 G196 D223 E224 | D177-T193 HydrophobicContact CB-CG2 4.04Å; D177-T193 VanDerWaalsContact O-CG2 3.24Å; D177-T193 WeakPolarHBondContact O-CG2 3.49Å; D177-I194 CarbonylContact C-O 3.56Å; D177-I194 WeakPolarHBondContact CA-O 3.31Å; D177-Y195 HydrophobicContact CB-CD1 4.02Å; D177-Y195 WeakPolarHBondContact OD1-CA 3.21Å; D177-Y195 WeakPolarHBondContact OD1-CB 3.39Å; D177-Y195 WeakPolarHBondContact OD2-CD1 3.43Å; D177-G196 PolarHBondContact OD1-N 3.08Å; D177-D223 WeakPolarHBondContact CA-OD1 3.47Å; D177-D223 PolarHBondContact N-OD1 3.31Å; D177-E224 PolarHBondContact O-N 3.3Å | ||
| 178 | P | 92.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 140.9 | -169.1 | 30.2 | -41.3 | 0 | 0 | 0 | 115.2 | L167 S176 I194 N197 P200 W202 V221 W222 L244 | L167-P178 HydrophobicContact CD1-CB 3.58Å; L167-P178 HydrophobicContact CD1-CG 3.77Å; S176-P178 WeakPolarHBondContact O-CD 3.2Å; P178-I194 WeakPolarHBondContact CD-O 3.4Å; P178-I194 PolarHBondContact O-N 3.34Å; P178-N197 WeakPolarHBondContact CD-O 3.44Å; P178-N197 VanDerWaalsContact CG-O 3.27Å; P178-N197 WeakPolarHBondContact CG-O 3.42Å; P178-P200 HydrophobicContact CB-CG 4.25Å; P178-P200 HydrophobicContact CG-CB 3.79Å; P178-P200 HydrophobicContact CG-CG 3.55Å; P178-W202 HydrophobicContact CB-CH2 4.48Å; P178-W202 HydrophobicContact CB-CZ2 3.96Å; P178-W202 HydrophobicContact CG-CZ2 4.25Å; P178-W202 PolarHBondContact O-NE1 3.4Å; P178-V221 HydrophobicContact CB-CG1 4.16Å; P178-W222 CarbonylContact C-O 3.59Å; P178-W222 VanDerWaalsContact CA-O 3.23Å; P178-W222 WeakPolarHBondContact CA-O 3.38Å; P178-L244 HydrophobicContact CB-CD1 3.77Å |
| 179 | Y | 94.3 | Very high | 85.8 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 157.8 | 163.2 | 77 | -84.2 | 0 | 0 | 0 | 111.7 | T181 R190 V221 W222 E224 D241 | Y179-T181 HydrophobicContact CD2-CG2 4.08Å; Y179-T181 HydrophobicContact CE2-CG2 3.49Å; Y179-T181 VanDerWaalsContact CE2-CG2 3.49Å; Y179-R190 HydrophobicContact CD2-CB 4.37Å; Y179-V221 WeakPolarHBondContact O-CA 3.48Å; Y179-W222 HydrophobicContact CD1-CB 3.86Å; Y179-W222 HydrophobicContact CE1-CB 3.31Å; Y179-W222 HydrophobicContact CE1-CG 4.18Å; Y179-W222 HydrophobicContact CE2-CB 4.16Å; Y179-W222 AromaticContact CE2-CD1 3.92Å; Y179-W222 HydrophobicContact CE2-CG 4.29Å; Y179-W222 HydrophobicContact CG-CB 4.49Å; Y179-W222 VanDerWaalsContact CZ-CB 3.49Å; Y179-W222 AromaticContact CZ-CD1 3.93Å; Y179-W222 AromaticContact CZ-CG 3.84Å; Y179-W222 PolarHBondContact N-O 2.81Å; Y179-W222 PolarHBondContact O-N 2.97Å; Y179-E224 HydrophobicContact CD1-CB 4.02Å; Y179-E224 HydrophobicContact CE1-CB 4.18Å; Y179-D241 HydrophobicContact CE1-CB 4.3Å; Y179-D241 WeakPolarHBondContact CE1-OD2 3.17Å; Y179-D241 PolarHBondContact OH-OD2 3.03Å |
| 180 | V | 95.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.8 | -176.1 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | V161 V182 R190 T191 W202 V219 R220 V221 I277 | V161-V180 HydrophobicContact CG1-CB 4.18Å; V161-V180 HydrophobicContact CG1-CG1 4.27Å; V161-V180 HydrophobicContact CG1-CG2 3.96Å; V161-V180 HydrophobicContact CG2-CG1 4.33Å; V180-V182 HydrophobicContact CG1-CG2 4.23Å; V180-R190 CarbonylContact O-C 3.56Å; V180-R190 VanDerWaalsContact O-CA 3.23Å; V180-R190 WeakPolarHBondContact O-CA 3.31Å; V180-T191 HydrophobicContact CB-CG2 3.93Å; V180-T191 PolarHBondContact N-OG1 2.88Å; V180-T191 PolarHBondContact O-N 3.11Å; V180-W202 HydrophobicContact CG2-CD2 4.13Å; V180-W202 HydrophobicContact CG2-CE3 4.03Å; V180-W202 HydrophobicContact CG2-CH2 3.4Å; V180-W202 HydrophobicContact CG2-CZ2 3.55Å; V180-W202 HydrophobicContact CG2-CZ3 3.66Å; V180-V219 HydrophobicContact CG1-CG1 3.41Å; V180-V219 VanDerWaalsContact CG1-CG1 3.41Å; V180-R220 CarbonylContact C-O 3.53Å; V180-R220 WeakPolarHBondContact CA-O 3.38Å; V180-V221 HydrophobicContact CG2-CG1 4.42Å; V180-V221 HydrophobicContact CG2-CG2 4.24Å; V180-I277 HydrophobicContact CG1-CD1 4.03Å; V180-I277 HydrophobicContact CG2-CD1 3.88Å |
| 181 | T | 93.3 | Very high | 86.7 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127 | 167.9 | 65.3 | 0 | 0 | 0 | 0 | 110.5 | Y179 K188 K189 R190 V219 R220 W222 | Y179-T181 HydrophobicContact CD2-CG2 4.08Å; Y179-T181 HydrophobicContact CE2-CG2 3.49Å; Y179-T181 VanDerWaalsContact CE2-CG2 3.49Å; T181-K188 VanDerWaalsContact CB-CE 3.49Å; T181-K189 CarbonylContact C-O 3.51Å; T181-K189 WeakPolarHBondContact CA-O 3.29Å; T181-R190 HydrophobicContact CG2-CB 4.04Å; T181-V219 WeakPolarHBondContact O-CA 3.47Å; T181-R220 PolarHBondContact N-O 3.42Å; T181-R220 PolarHBondContact O-N 3.04Å; T181-R220 PolarHBondContact OG1-O 2.9Å; T181-W222 PolarHBondContact OG1-NE1 3.49Å |
| 182 | V | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.1 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | I159 V161 V180 K188 K189 F206 F208 I217 K218 V219 | I159-V182 HydrophobicContact CD1-CG1 3.66Å; V161-V182 HydrophobicContact CG2-CG2 3.79Å; V180-V182 HydrophobicContact CG1-CG2 4.23Å; V182-K188 WeakPolarHBondContact O-CA 3.42Å; V182-K189 PolarHBondContact N-O 3.36Å; V182-K189 PolarHBondContact O-N 3.18Å; V182-F206 HydrophobicContact CB-CD2 4.48Å; V182-F206 HydrophobicContact CG2-CD2 4.04Å; V182-F206 HydrophobicContact CG2-CE2 4.2Å; V182-F208 HydrophobicContact CB-CE2 4.4Å; V182-F208 HydrophobicContact CB-CZ 4.2Å; V182-F208 HydrophobicContact CG1-CE2 3.73Å; V182-F208 HydrophobicContact CG1-CZ 3.84Å; V182-I217 HydrophobicContact CG1-CG2 4.15Å; V182-K218 CarbonylContact C-O 3.51Å; V182-K218 WeakPolarHBondContact CA-O 3.41Å; V182-V219 HydrophobicContact CG1-CG2 4.35Å; V182-V219 HydrophobicContact CG2-CG1 4.43Å; V182-V219 HydrophobicContact CG2-CG2 4.42Å |
| 183 | Q | 89.1 | Confident | 88.2 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 22% | 0.22 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.7 | 179.7 | 178.4 | -177.7 | -10.3 | 0 | 0 | 110.9 | G185 T187 K188 K218 | Q183-G185 PolarHBondContact NE2-O 3.5Å; Q183-G185 VanDerWaalsContact NE2-O 3.1Å; Q183-T187 VanDerWaalsContact CA-O 3.31Å; Q183-T187 WeakPolarHBondContact CA-O 3.47Å; Q183-K188 HydrophobicContact CB-CB 4.31Å; Q183-K188 HydrophobicContact CB-CG 4.28Å; Q183-K188 HydrophobicContact CG-CB 4.36Å; Q183-K218 HydrophobicContact CB-CB 4.29Å; Q183-K218 PolarHBondContact N-O 3.01Å; Q183-K218 PolarHBondContact O-N 3.13Å |
| 184 | V | 86.7 | Confident | 89 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115.7 | 172.3 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | I159 K186 T187 F208 I217 | I159-V184 HydrophobicContact CD1-CG2 4.28Å; V184-K186 PolarHBondContact O-N 2.79Å; V184-K186 VanDerWaalsContact O-N 3.15Å; V184-T187 PolarHBondContact N-O 3.35Å; V184-T187 PolarHBondContact O-N 2.88Å; V184-F208 HydrophobicContact CB-CB 4.17Å; V184-F208 HydrophobicContact CB-CD1 3.71Å; V184-F208 HydrophobicContact CB-CE1 4.24Å; V184-F208 HydrophobicContact CB-CG 3.96Å; V184-F208 HydrophobicContact CG1-CB 4.44Å; V184-F208 HydrophobicContact CG2-CB 4.09Å; V184-F208 HydrophobicContact CG2-CD1 3.75Å; V184-F208 HydrophobicContact CG2-CD2 3.89Å; V184-F208 HydrophobicContact CG2-CE1 4.07Å; V184-F208 HydrophobicContact CG2-CE2 4.2Å; V184-F208 HydrophobicContact CG2-CG 3.64Å; V184-F208 HydrophobicContact CG2-CZ 4.29Å; V184-I217 HydrophobicContact CG2-CB 4.33Å; V184-I217 HydrophobicContact CG2-CG1 4.01Å; V184-I217 HydrophobicContact CG2-CG2 3.99Å |
| 185 | G | 78.1 | Confident | 89.5 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 35% | 0.351 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -116.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q183 | Q183-G185 PolarHBondContact NE2-O 3.5Å; Q183-G185 VanDerWaalsContact NE2-O 3.1Å |
| 186 | K | 78.1 | Confident | 89.7 | Confident | 211 Ų | 211 | 54.8 Ų | 54.8 | 92% | 0.917 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -13.3 | 177.9 | -64 | -176 | -177.5 | 177.5 | 0 | 113.7 | V184 | V184-K186 PolarHBondContact O-N 2.79Å; V184-K186 VanDerWaalsContact O-N 3.15Å |
| 187 | T | 84.5 | Confident | 89.7 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 47% | 0.466 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 124.3 | -174.5 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | Q183 V184 F208 | Q183-T187 VanDerWaalsContact CA-O 3.31Å; Q183-T187 WeakPolarHBondContact CA-O 3.47Å; V184-T187 PolarHBondContact N-O 3.35Å; V184-T187 PolarHBondContact O-N 2.88Å; T187-F208 HydrophobicContact CG2-CD1 3.97Å; T187-F208 HydrophobicContact CG2-CE1 3.81Å |
| 188 | K | 88.6 | Confident | 89.5 | Confident | 124 Ų | 124 | 58.1 Ų | 58.1 | 54% | 0.539 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.2 | 178 | -176 | 179.3 | -180 | -175.3 | 0 | 110.1 | T181 V182 Q183 | T181-K188 VanDerWaalsContact CB-CE 3.49Å; V182-K188 WeakPolarHBondContact O-CA 3.42Å; Q183-K188 HydrophobicContact CB-CB 4.31Å; Q183-K188 HydrophobicContact CB-CG 4.28Å; Q183-K188 HydrophobicContact CG-CB 4.36Å |
| 189 | K | 92.7 | Very high | 89.4 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 157.8 | 174.5 | -63 | -178.7 | 178.5 | 176.7 | 0 | 109.6 | T181 V182 F206 H207 F208 | T181-K189 CarbonylContact C-O 3.51Å; T181-K189 WeakPolarHBondContact CA-O 3.29Å; V182-K189 PolarHBondContact N-O 3.36Å; V182-K189 PolarHBondContact O-N 3.18Å; K189-F206 HydrophobicContact CB-CD1 3.73Å; K189-F206 HydrophobicContact CB-CE1 3.99Å; K189-F206 HydrophobicContact CB-CG 4.27Å; K189-F206 HydrophobicContact CD-CB 4.06Å; K189-F206 HydrophobicContact CD-CD1 3.73Å; K189-F206 HydrophobicContact CD-CG 4.24Å; K189-F206 HydrophobicContact CG-CD1 4.35Å; K189-H207 PolarHBondContact NZ-O 3.48Å; K189-F208 HydrophobicContact CB-CZ 4.18Å; K189-F208 HydrophobicContact CD-CE1 4.14Å; K189-F208 HydrophobicContact CD-CE2 4.46Å; K189-F208 HydrophobicContact CD-CZ 3.85Å; K189-F208 HydrophobicContact CG-CE1 4.21Å; K189-F208 HydrophobicContact CG-CZ 4.02Å |
| 190 | R | 92.6 | Very high | 89.2 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.7 | 176.3 | 74.7 | 172.7 | -76.9 | -177.3 | -2.6 | 111.4 | Y179 V180 T181 T193 E224 | Y179-R190 HydrophobicContact CD2-CB 4.37Å; V180-R190 CarbonylContact O-C 3.56Å; V180-R190 VanDerWaalsContact O-CA 3.23Å; V180-R190 WeakPolarHBondContact O-CA 3.31Å; T181-R190 HydrophobicContact CG2-CB 4.04Å; R190-T193 PolarHBondContact NH2-OG1 2.82Å; R190-T193 VanDerWaalsContact NH2-OG1 3.12Å; R190-E224 IonicContact CZ-OE1 2.99Å; R190-E224 IonicContact NH1-OE1 3.78Å; R190-E224 PolarHBondContact NH1-OE1 3.24Å; R190-E224 IonicContact NH2-OE1 2.61Å; R190-E224 PolarHBondContact NH2-OE1 2.91Å; R190-E224 IonicContact NH2-OE2 3.25Å; R190-E224 PolarHBondContact NH2-OE2 3.46Å |
| 191 | T | 94.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 172.1 | 167.4 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | V161 V180 W202 E204 F206 | V161-T191 HydrophobicContact CB-CG2 4.12Å; V161-T191 HydrophobicContact CG1-CG2 4.22Å; V161-T191 HydrophobicContact CG2-CG2 4.32Å; V180-T191 HydrophobicContact CB-CG2 3.93Å; V180-T191 PolarHBondContact N-OG1 2.88Å; V180-T191 PolarHBondContact O-N 3.11Å; T191-W202 HydrophobicContact CG2-CB 4.36Å; T191-W202 HydrophobicContact CG2-CG 4.24Å; T191-W202 PolarHBondContact OG1-NE1 3.25Å; T191-E204 WeakPolarHBondContact CA-OE2 3.43Å; T191-E204 HydrophobicContact CG2-CB 4.19Å; T191-F206 HydrophobicContact CG2-CE2 3.64Å; T191-F206 HydrophobicContact CG2-CZ 3.67Å |
| 192 | K | 92.1 | Very high | 89.2 | Confident | 153 Ų | 153 | 65.6 Ų | 65.6 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 159.8 | 161 | -62.5 | 171.4 | -172.4 | 171.9 | 0 | 110.9 | W202 E204 | K192-W202 PolarHBondContact O-NE1 2.91Å; K192-E204 VanDerWaalsContact CB-OE1 3.26Å; K192-E204 WeakPolarHBondContact CB-OE1 3.35Å; K192-E204 VanDerWaalsContact CG-OE1 3.28Å; K192-E204 WeakPolarHBondContact CG-OE1 2.98Å; K192-E204 PolarHBondContact N-OE1 3.47Å |
| 193 | T | 91.7 | Very high | 89.2 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 133.2 | 176.1 | -50.9 | 0 | 0 | 0 | 0 | 109.5 | D177 R190 Y195 E224 | D177-T193 HydrophobicContact CB-CG2 4.04Å; D177-T193 VanDerWaalsContact O-CG2 3.24Å; D177-T193 WeakPolarHBondContact O-CG2 3.49Å; R190-T193 PolarHBondContact NH2-OG1 2.82Å; R190-T193 VanDerWaalsContact NH2-OG1 3.12Å; T193-Y195 HydrophobicContact CG2-CD1 4.49Å; T193-Y195 HydrophobicContact CG2-CE1 4.2Å; T193-E224 WeakPolarHBondContact CB-OE2 3.33Å; T193-E224 HydrophobicContact CG2-CB 3.79Å; T193-E224 VanDerWaalsContact CG2-OE2 3.31Å; T193-E224 WeakPolarHBondContact CG2-OE2 3.49Å; T193-E224 PolarHBondContact OG1-OE2 3.29Å |
| 194 | I | 91.9 | Very high | 89.5 | Confident | 49 Ų | 49 | 72 Ų | 72 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | trans | -107 | 117.3 | 174.5 | -58.2 | -61.3 | 0 | 0 | 0 | 107.3 | D177 P178 N197 P200 W202 | D177-I194 CarbonylContact C-O 3.56Å; D177-I194 WeakPolarHBondContact CA-O 3.31Å; P178-I194 WeakPolarHBondContact CD-O 3.4Å; P178-I194 PolarHBondContact O-N 3.34Å; I194-N197 HydrophobicContact CG2-CB 4.05Å; I194-P200 HydrophobicContact CB-CB 3.79Å; I194-P200 HydrophobicContact CG1-CB 4Å; I194-P200 HydrophobicContact CG2-CB 3.88Å; I194-W202 HydrophobicContact CG1-CG 4.45Å | ||
| 195 | Y | 88.8 | Confident | 89.8 | Confident | 145 Ų | 145 | 74.8 Ų | 74.8 | 57% | 0.569 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 140.8 | -172.9 | -58.3 | -84.9 | 0 | 0 | 0 | 112.9 | D177 T193 N197 | D177-Y195 HydrophobicContact CB-CD1 4.02Å; D177-Y195 WeakPolarHBondContact OD1-CA 3.21Å; D177-Y195 WeakPolarHBondContact OD1-CB 3.39Å; D177-Y195 WeakPolarHBondContact OD2-CD1 3.43Å; T193-Y195 HydrophobicContact CG2-CD1 4.49Å; T193-Y195 HydrophobicContact CG2-CE1 4.2Å; Y195-N197 VanDerWaalsContact C-N 3.32Å; Y195-N197 PolarHBondContact O-N 3.45Å |
| 196 | G | 86.6 | Confident | 90.5 | Very high | 47 Ų | 47 | 74.1 Ų | 74.1 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 29.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S175 S176 D177 | S175-G196 WeakPolarHBondContact OG-CA 3.42Å; S175-G196 PolarHBondContact OG-O 3.07Å; S176-G196 CarbonylContact O-C 3.59Å; S176-G196 WeakPolarHBondContact O-CA 3.43Å; S176-G196 PolarHBondContact O-N 2.88Å; D177-G196 PolarHBondContact OD1-N 3.08Å |
| 197 | N | 86.8 | Confident | 91.2 | Very high | 61 Ų | 61 | 70 Ų | 70 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | trans | -137 | 117.4 | -172.8 | -169.6 | -4.2 | 0 | 0 | 0 | 113 | S175 S176 P178 I194 Y195 N199 | S175-N197 PolarHBondContact OG-N 2.98Å; S176-N197 PolarHBondContact O-N 2.84Å; P178-N197 WeakPolarHBondContact CD-O 3.44Å; P178-N197 VanDerWaalsContact CG-O 3.27Å; P178-N197 WeakPolarHBondContact CG-O 3.42Å; I194-N197 HydrophobicContact CG2-CB 4.05Å; Y195-N197 VanDerWaalsContact C-N 3.32Å; Y195-N197 PolarHBondContact O-N 3.45Å; N197-N199 VanDerWaalsContact C-N 3.27Å; N197-N199 PolarHBondContact ND2-O 2.82Å; N197-N199 PolarHBondContact O-N 3.41Å; N197-N199 VanDerWaalsContact OD1-C 3.29Å; N197-N199 WeakPolarHBondContact OD1-CA 3.28Å; N197-N199 PolarHBondContact OD1-N 3.45Å; N197-N199 PolarHBondContact OD1-O 2.79Å | ||
| 198 | L | 87.5 | Confident | 91.5 | Very high | 36 Ų | 36 | 66.9 Ų | 66.9 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -79.7 | -7 | 175.5 | -55.7 | -179.8 | 0 | 0 | 0 | 113.9 | G166 L167 A169 P200 | G166-L198 PolarHBondContact N-O 2.74Å; L167-L198 HydrophobicContact CB-CB 4.39Å; L167-L198 HydrophobicContact CB-CD2 4.36Å; L167-L198 WeakPolarHBondContact CB-O 3.44Å; L167-L198 WeakPolarHBondContact CG-O 3.49Å; L167-L198 PolarHBondContact N-O 3.42Å; A169-L198 HydrophobicContact CB-CD1 4.12Å; A169-L198 HydrophobicContact CB-CD2 4.15Å; L198-P200 VanDerWaalsContact C-CD 3.4Å |
| 199 | N | 89.3 | Confident | 91.4 | Very high | 80 Ų | 80 | 67.3 Ų | 67.3 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -126.7 | 60.8 | 175.6 | -51.6 | -64.3 | 0 | 0 | 0 | 110.8 | A164 Q165 G166 N197 | A164-N199 CarbonylContact O-C 3.55Å; A164-N199 WeakPolarHBondContact O-CA 3.34Å; Q165-N199 WeakPolarHBondContact CA-OD1 3.45Å; Q165-N199 WeakPolarHBondContact CG-OD1 3.25Å; G166-N199 PolarHBondContact N-OD1 2.9Å; N197-N199 VanDerWaalsContact C-N 3.27Å; N197-N199 PolarHBondContact ND2-O 2.82Å; N197-N199 PolarHBondContact O-N 3.41Å; N197-N199 VanDerWaalsContact OD1-C 3.29Å; N197-N199 WeakPolarHBondContact OD1-CA 3.28Å; N197-N199 PolarHBondContact OD1-N 3.45Å; N197-N199 PolarHBondContact OD1-O 2.79Å |
| 200 | P | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -72.4 | 152.1 | -173.2 | 33.7 | -40.6 | 0 | 0 | 0 | 112.6 | C163 A164 L167 P178 I194 L198 W202 | C163-P200 CarbonylContact C-O 3.6Å; C163-P200 WeakPolarHBondContact CA-O 3.34Å; C163-P200 WeakPolarHBondContact CB-O 3.41Å; A164-P200 HydrophobicContact CB-CG 4Å; A164-P200 PolarHBondContact N-O 3.25Å; L167-P200 HydrophobicContact CD1-CG 3.84Å; P178-P200 HydrophobicContact CB-CG 4.25Å; P178-P200 HydrophobicContact CG-CB 3.79Å; P178-P200 HydrophobicContact CG-CG 3.55Å; I194-P200 HydrophobicContact CB-CB 3.79Å; I194-P200 HydrophobicContact CG1-CB 4Å; I194-P200 HydrophobicContact CG2-CB 3.88Å; L198-P200 VanDerWaalsContact C-CD 3.4Å; P200-W202 HydrophobicContact CB-CH2 4Å; P200-W202 HydrophobicContact CB-CZ2 3.79Å; P200-W202 HydrophobicContact CB-CZ3 4.4Å; P200-W202 HydrophobicContact CG-CE3 4.36Å; P200-W202 HydrophobicContact CG-CH2 3.16Å; P200-W202 HydrophobicContact CG-CZ2 3.4Å; P200-W202 VanDerWaalsContact CG-CZ2 3.4Å; P200-W202 HydrophobicContact CG-CZ3 3.69Å | ||
| 201 | V | 93.9 | Very high | 90.2 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.7 | 172 | -178.2 | 0 | 0 | 0 | 0 | 108 | C163 E203 | C163-V201 HydrophobicContact CB-CB 4.37Å; C163-V201 HydrophobicContact CB-CG2 3.95Å; V201-E203 HydrophobicContact CG1-CG 3.83Å |
| 202 | W | 95.1 | Very high | 89.2 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 8% | 0.076 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -46.5 | -179.5 | -64.5 | -79.9 | 0 | 0 | 0 | 112.4 | V161 V162 A164 P178 V180 T191 K192 I194 P200 E204 V221 I277 | V161-W202 HydrophobicContact CG1-CB 4.47Å; V161-W202 HydrophobicContact CG1-CD2 4.22Å; V161-W202 HydrophobicContact CG1-CE3 3.68Å; V161-W202 HydrophobicContact CG1-CZ3 4.24Å; V162-W202 PolarHBondContact O-N 2.82Å; A164-W202 HydrophobicContact CB-CH2 3.74Å; A164-W202 HydrophobicContact CB-CZ3 3.6Å; P178-W202 HydrophobicContact CB-CH2 4.48Å; P178-W202 HydrophobicContact CB-CZ2 3.96Å; P178-W202 HydrophobicContact CG-CZ2 4.25Å; P178-W202 PolarHBondContact O-NE1 3.4Å; V180-W202 HydrophobicContact CG2-CD2 4.13Å; V180-W202 HydrophobicContact CG2-CE3 4.03Å; V180-W202 HydrophobicContact CG2-CH2 3.4Å; V180-W202 HydrophobicContact CG2-CZ2 3.55Å; V180-W202 HydrophobicContact CG2-CZ3 3.66Å; T191-W202 HydrophobicContact CG2-CB 4.36Å; T191-W202 HydrophobicContact CG2-CG 4.24Å; T191-W202 PolarHBondContact OG1-NE1 3.25Å; K192-W202 PolarHBondContact O-NE1 2.91Å; I194-W202 HydrophobicContact CG1-CG 4.45Å; P200-W202 HydrophobicContact CB-CH2 4Å; P200-W202 HydrophobicContact CB-CZ2 3.79Å; P200-W202 HydrophobicContact CB-CZ3 4.4Å; P200-W202 HydrophobicContact CG-CE3 4.36Å; P200-W202 HydrophobicContact CG-CH2 3.16Å; P200-W202 HydrophobicContact CG-CZ2 3.4Å; P200-W202 VanDerWaalsContact CG-CZ2 3.4Å; P200-W202 HydrophobicContact CG-CZ3 3.69Å; W202-E204 HydrophobicContact CB-CG 4.46Å; W202-E204 PolarHBondContact O-N 2.77Å; W202-V221 HydrophobicContact CH2-CG1 4.45Å; W202-I277 HydrophobicContact CZ3-CD1 4.43Å |
| 203 | E | 93.3 | Very high | 88 | Confident | 141 Ų | 141 | 58.9 Ų | 58.9 | 66% | 0.659 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.6 | 42.1 | -173.7 | -64.9 | -178 | 165.8 | 0 | 0 | 113.6 | V161 V162 V201 | V161-E203 VanDerWaalsContact O-CA 3.32Å; V161-E203 WeakPolarHBondContact O-CA 3.45Å; V161-E203 PolarHBondContact O-N 2.75Å; V162-E203 HydrophobicContact CG1-CG 4.46Å; V162-E203 PolarHBondContact O-N 2.94Å; V162-E203 VanDerWaalsContact O-N 3.13Å; V201-E203 HydrophobicContact CG1-CG 3.83Å |
| 204 | E | 94.6 | Very high | 86.9 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127 | -177.2 | -73.7 | -172.4 | -130.9 | 0 | 0 | 112.4 | T160 V161 T191 K192 W202 F206 | T160-E204 CarbonylContact C-O 3.5Å; T160-E204 WeakPolarHBondContact CA-O 3.47Å; V161-E204 PolarHBondContact N-O 3.1Å; V161-E204 PolarHBondContact O-N 2.85Å; V161-E204 VanDerWaalsContact O-N 3.08Å; T191-E204 WeakPolarHBondContact CA-OE2 3.43Å; T191-E204 HydrophobicContact CG2-CB 4.19Å; K192-E204 VanDerWaalsContact CB-OE1 3.26Å; K192-E204 WeakPolarHBondContact CB-OE1 3.35Å; K192-E204 VanDerWaalsContact CG-OE1 3.28Å; K192-E204 WeakPolarHBondContact CG-OE1 2.98Å; K192-E204 PolarHBondContact N-OE1 3.47Å; W202-E204 HydrophobicContact CB-CG 4.46Å; W202-E204 PolarHBondContact O-N 2.77Å; E204-F206 HydrophobicContact CB-CE2 4.28Å; E204-F206 HydrophobicContact CB-CZ 4.1Å |
| 205 | S | 93.1 | Very high | 86.2 | Confident | 66 Ų | 66 | 59.6 Ų | 59.6 | 46% | 0.462 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.6 | -178.1 | -55 | 0 | 0 | 0 | 0 | 113.6 | I159 T160 | I159-S205 CarbonylContact O-C 3.46Å; I159-S205 WeakPolarHBondContact O-CA 3.46Å; T160-S205 PolarHBondContact OG1-OG 2.98Å |
| 206 | F | 93.4 | Very high | 85.9 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.1 | 178.8 | -56 | -67 | 0 | 0 | 0 | 111.2 | I159 V161 V182 K189 T191 E204 F208 | I159-F206 PolarHBondContact N-O 2.99Å; I159-F206 PolarHBondContact O-N 2.89Å; V161-F206 HydrophobicContact CG2-CD2 4.2Å; V161-F206 HydrophobicContact CG2-CE2 3.95Å; V182-F206 HydrophobicContact CB-CD2 4.48Å; V182-F206 HydrophobicContact CG2-CD2 4.04Å; V182-F206 HydrophobicContact CG2-CE2 4.2Å; K189-F206 HydrophobicContact CB-CD1 3.73Å; K189-F206 HydrophobicContact CB-CE1 3.99Å; K189-F206 HydrophobicContact CB-CG 4.27Å; K189-F206 HydrophobicContact CD-CB 4.06Å; K189-F206 HydrophobicContact CD-CD1 3.73Å; K189-F206 HydrophobicContact CD-CG 4.24Å; K189-F206 HydrophobicContact CG-CD1 4.35Å; T191-F206 HydrophobicContact CG2-CE2 3.64Å; T191-F206 HydrophobicContact CG2-CZ 3.67Å; E204-F206 HydrophobicContact CB-CE2 4.28Å; E204-F206 HydrophobicContact CB-CZ 4.1Å; F206-F208 HydrophobicContact CB-CD2 4.3Å; F206-F208 HydrophobicContact CB-CE2 3.5Å; F206-F208 VanDerWaalsContact CB-CE2 3.5Å; F206-F208 HydrophobicContact CB-CZ 4.14Å |
| 207 | H | 92.5 | Very high | 86 | Confident | 124 Ų | 124 | 51.4 Ų | 51.4 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.7 | 177.5 | -57.8 | 82.8 | 0 | 0 | 0 | 111.2 | I157 S158 K189 | I157-H207 CarbonylContact O-C 3.6Å; I157-H207 WeakPolarHBondContact O-CA 3.23Å; S158-H207 PolarHBondContact OG-NE2 2.89Å; K189-H207 PolarHBondContact NZ-O 3.48Å |
| 208 | F | 90.6 | Very high | 86.1 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 144 | 178.6 | -62.1 | -90.7 | 0 | 0 | 0 | 110.8 | I157 I159 V182 V184 T187 K189 F206 | I157-F208 PolarHBondContact N-O 3.08Å; I157-F208 PolarHBondContact O-N 3.1Å; I159-F208 HydrophobicContact CD1-CD2 3.9Å; I159-F208 HydrophobicContact CD1-CE2 3.95Å; I159-F208 HydrophobicContact CG1-CD2 4.48Å; V182-F208 HydrophobicContact CB-CE2 4.4Å; V182-F208 HydrophobicContact CB-CZ 4.2Å; V182-F208 HydrophobicContact CG1-CE2 3.73Å; V182-F208 HydrophobicContact CG1-CZ 3.84Å; V184-F208 HydrophobicContact CB-CB 4.17Å; V184-F208 HydrophobicContact CB-CD1 3.71Å; V184-F208 HydrophobicContact CB-CE1 4.24Å; V184-F208 HydrophobicContact CB-CG 3.96Å; V184-F208 HydrophobicContact CG1-CB 4.44Å; V184-F208 HydrophobicContact CG2-CB 4.09Å; V184-F208 HydrophobicContact CG2-CD1 3.75Å; V184-F208 HydrophobicContact CG2-CD2 3.89Å; V184-F208 HydrophobicContact CG2-CE1 4.07Å; V184-F208 HydrophobicContact CG2-CE2 4.2Å; V184-F208 HydrophobicContact CG2-CG 3.64Å; V184-F208 HydrophobicContact CG2-CZ 4.29Å; T187-F208 HydrophobicContact CG2-CD1 3.97Å; T187-F208 HydrophobicContact CG2-CE1 3.81Å; K189-F208 HydrophobicContact CB-CZ 4.18Å; K189-F208 HydrophobicContact CD-CE1 4.14Å; K189-F208 HydrophobicContact CD-CE2 4.46Å; K189-F208 HydrophobicContact CD-CZ 3.85Å; K189-F208 HydrophobicContact CG-CE1 4.21Å; K189-F208 HydrophobicContact CG-CZ 4.02Å; F206-F208 HydrophobicContact CB-CD2 4.3Å; F206-F208 HydrophobicContact CB-CE2 3.5Å; F206-F208 VanDerWaalsContact CB-CE2 3.5Å; F206-F208 HydrophobicContact CB-CZ 4.14Å |
| 209 | E | 85.6 | Confident | 86.3 | Confident | 133 Ų | 133 | 48.8 Ų | 48.8 | 62% | 0.621 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.4 | 167.8 | -64.2 | -168.8 | 157.6 | 0 | 0 | 108.9 | ||
| 210 | C | 83.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.1 | -179.2 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | W153 S154 A155 I157 N212 | W153-C210 HydrophobicContact CH2-CB 4.31Å; W153-C210 HydrophobicContact CZ3-CB 4.08Å; W153-C210 WeakPolarHBondContact CZ3-O 3.34Å; S154-C210 CarbonylContact C-O 3.47Å; S154-C210 WeakPolarHBondContact CA-O 3.45Å; A155-C210 PolarHBondContact N-O 3.3Å; A155-C210 PolarHBondContact O-N 2.95Å; I157-C210 HydrophobicContact CD1-CB 3.61Å; I157-C210 HydrophobicContact CG1-CB 4.19Å; C210-N212 PolarHBondContact SG-O 3.49Å |
| 211 | H | 77.6 | Confident | 86.4 | Confident | 128 Ų | 128 | 46 Ų | 46 | 59% | 0.593 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -107.5 | 14.9 | -179.9 | -53.9 | -66.3 | 0 | 0 | 0 | 112.4 | W153 | W153-H211 CarbonylContact O-C 3.54Š|
| 212 | N | 73.1 | Confident | 86.3 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | trans | -150.4 | 115.7 | -178.1 | -175.9 | 12.5 | 0 | 0 | 0 | 110.3 | W153 C210 S214 D215 | W153-N212 VanDerWaalsContact CZ3-C 3.44Å; C210-N212 PolarHBondContact SG-O 3.49Å; N212-S214 PolarHBondContact O-N 3.06Å; N212-S214 WeakPolarHBondContact OD1-CB 3.15Å; N212-S214 PolarHBondContact OD1-N 3.36Å; N212-S214 VanDerWaalsContact OD1-N 3.16Å; N212-D215 PolarHBondContact ND2-OD1 3.4Å; N212-D215 WeakPolarHBondContact O-CB 3.35Å; N212-D215 PolarHBondContact O-N 3.48Å; N212-D215 VanDerWaalsContact O-N 3.09Å | ||
| 213 | S | 67.4 | Low | 86 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12 | 179.5 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | T150 D215 R252 | T150-S213 WeakPolarHBondContact CG2-OG 3.32Å; S213-D215 VanDerWaalsContact C-N 3.3Å; S213-R252 PolarHBondContact O-N 3.48Å |
| 214 | S | 68.9 | Low | 85.7 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 23% | 0.231 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.5 | 172.2 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | E88 N212 | E88-S214 PolarHBondContact OE1-OG 3.33Å; N212-S214 PolarHBondContact O-N 3.06Å; N212-S214 WeakPolarHBondContact OD1-CB 3.15Å; N212-S214 PolarHBondContact OD1-N 3.36Å; N212-S214 VanDerWaalsContact OD1-N 3.16Å |
| 215 | D | 76.6 | Confident | 84.6 | Confident | 50 Ų | 50 | 38.8 Ų | 38.8 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | trans | -72.8 | 155.5 | 173.7 | -74.5 | 1.9 | 0 | 0 | 0 | 110.6 | N212 S213 V251 | N212-D215 PolarHBondContact ND2-OD1 3.4Å; N212-D215 WeakPolarHBondContact O-CB 3.35Å; N212-D215 PolarHBondContact O-N 3.48Å; N212-D215 VanDerWaalsContact O-N 3.09Å; S213-D215 VanDerWaalsContact C-N 3.3Å; D215-V251 HydrophobicContact CB-CG2 4.43Å; D215-V251 WeakPolarHBondContact O-CB 3.34Å; D215-V251 WeakPolarHBondContact O-CG2 3.38Å; D215-V251 PolarHBondContact O-N 3.26Å | ||
| 216 | R | 83.1 | Confident | 83 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.3 | -178.9 | -66.6 | 177.7 | 169.3 | -179.8 | -3.1 | 109.5 | E48 I248 I249 E250 | E48-R216 IonicContact OE1-NH1 3.09Å; E48-R216 IonicContact OE2-CZ 3.96Å; E48-R216 IonicContact OE2-NH1 3.92Å; E48-R216 PolarHBondContact OE2-NH1 3.4Å; E48-R216 IonicContact OE2-NH2 2.69Å; R216-I248 HydrophobicContact CB-CG2 3.89Å; R216-I248 HydrophobicContact CG-CG2 4.11Å; R216-I249 CarbonylContact C-O 3.54Å; R216-I249 WeakPolarHBondContact CA-O 3.47Å; R216-E250 HydrophobicContact CG-CG 4.27Å; R216-E250 IonicContact CZ-OE1 3.39Å; R216-E250 IonicContact NE-OE1 3.93Å; R216-E250 PolarHBondContact NE-OE1 3.34Å; R216-E250 IonicContact NH2-OE1 2.79Å; R216-E250 PolarHBondContact NH2-OE1 2.99Å |
| 217 | I | 88.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 116 | 168.2 | -51.6 | -177.3 | 0 | 0 | 0 | 107 | I157 I159 V182 V184 V219 I248 I249 V251 L254 | I157-I217 HydrophobicContact CD1-CD1 4.12Å; I157-I217 HydrophobicContact CG2-CD1 4.02Å; I159-I217 HydrophobicContact CD1-CD1 3.98Å; I159-I217 HydrophobicContact CD1-CG2 3.66Å; V182-I217 HydrophobicContact CG1-CG2 4.15Å; V184-I217 HydrophobicContact CG2-CB 4.33Å; V184-I217 HydrophobicContact CG2-CG1 4.01Å; V184-I217 HydrophobicContact CG2-CG2 3.99Å; I217-V219 HydrophobicContact CG2-CG2 3.97Å; I217-I248 WeakPolarHBondContact O-CA 3.41Å; I217-I249 HydrophobicContact CB-CB 4.25Å; I217-I249 PolarHBondContact N-O 2.99Å; I217-I249 PolarHBondContact O-N 2.98Å; I217-V251 HydrophobicContact CD1-CG2 4.38Å; I217-V251 HydrophobicContact CG1-CG2 3.92Å; I217-L254 HydrophobicContact CD1-CD1 3.4Å; I217-L254 VanDerWaalsContact CD1-CD1 3.4Å; I217-L254 HydrophobicContact CG1-CD1 4.46Å |
| 218 | K | 88 | Confident | 79.5 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.6 | -179.8 | -63.3 | 172.2 | -174.7 | 167.8 | 0 | 108.4 | E50 V182 Q183 | E50-K218 VanDerWaalsContact OE1-CD 3.22Å; E50-K218 WeakPolarHBondContact OE1-CD 3.45Å; E50-K218 WeakPolarHBondContact OE1-CE 3.49Å; E50-K218 IonicContact OE1-NZ 3.32Å; E50-K218 PolarHBondContact OE1-NZ 3.16Å; V182-K218 CarbonylContact C-O 3.51Å; V182-K218 WeakPolarHBondContact CA-O 3.41Å; Q183-K218 HydrophobicContact CB-CB 4.29Å; Q183-K218 PolarHBondContact N-O 3.01Å; Q183-K218 PolarHBondContact O-N 3.13Å |
| 219 | V | 91.9 | Very high | 77.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.3 | 177.9 | -175.9 | 0 | 0 | 0 | 0 | 107 | V180 T181 V182 I217 Q246 T247 I277 M279 | V180-V219 HydrophobicContact CG1-CG1 3.41Å; V180-V219 VanDerWaalsContact CG1-CG1 3.41Å; T181-V219 WeakPolarHBondContact O-CA 3.47Å; V182-V219 HydrophobicContact CG1-CG2 4.35Å; V182-V219 HydrophobicContact CG2-CG1 4.43Å; V182-V219 HydrophobicContact CG2-CG2 4.42Å; I217-V219 HydrophobicContact CG2-CG2 3.97Å; V219-Q246 CarbonylContact O-C 3.53Å; V219-Q246 WeakPolarHBondContact O-CA 3.41Å; V219-Q246 WeakPolarHBondContact O-CB 3.47Å; V219-T247 HydrophobicContact CB-CG2 3.78Å; V219-T247 HydrophobicContact CG1-CG2 4.4Å; V219-T247 HydrophobicContact CG2-CG2 4.38Å; V219-T247 PolarHBondContact N-O 3.41Å; V219-T247 PolarHBondContact O-N 2.98Å; V219-I277 HydrophobicContact CG1-CD1 3.94Å; V219-M279 HydrophobicContact CB-CE 4.37Å; V219-M279 HydrophobicContact CB-SD 4.18Å; V219-M279 HydrophobicContact CG1-CE 4.39Å; V219-M279 HydrophobicContact CG1-SD 3.78Å; V219-M279 HydrophobicContact CG2-CE 4.01Å; V219-M279 HydrophobicContact CG2-SD 3.68Å |
| 220 | R | 91.3 | Very high | 76 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.8 | -177.1 | -59.7 | -174.3 | 166 | 146.9 | 2.6 | 109.9 | E50 V180 T181 W222 F243 Q246 | E50-R220 IonicContact OE1-NH2 2.89Å; E50-R220 PolarHBondContact OE1-NH2 2.77Å; E50-R220 IonicContact OE2-CZ 3.5Å; E50-R220 IonicContact OE2-NH1 3.34Å; E50-R220 PolarHBondContact OE2-NH1 2.83Å; E50-R220 IonicContact OE2-NH2 3.63Å; E50-R220 PolarHBondContact OE2-NH2 2.66Å; V180-R220 CarbonylContact C-O 3.53Å; V180-R220 WeakPolarHBondContact CA-O 3.38Å; T181-R220 PolarHBondContact N-O 3.42Å; T181-R220 PolarHBondContact O-N 3.04Å; T181-R220 PolarHBondContact OG1-O 2.9Å; R220-W222 HydrophobicContact CB-CZ2 4.16Å; R220-F243 HydrophobicContact CB-CE2 4.41Å; R220-Q246 HydrophobicContact CB-CB 4.42Å; R220-Q246 HydrophobicContact CG-CB 3.81Å |
| 221 | V | 92.7 | Very high | 74.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.1 | 177 | -165.2 | 0 | 0 | 0 | 0 | 108.1 | L167 P178 Y179 V180 W202 L244 G245 L264 I277 | L167-V221 HydrophobicContact CD1-CG1 4.14Å; L167-V221 HydrophobicContact CD2-CG1 4.27Å; P178-V221 HydrophobicContact CB-CG1 4.16Å; Y179-V221 WeakPolarHBondContact O-CA 3.48Å; V180-V221 HydrophobicContact CG2-CG1 4.42Å; V180-V221 HydrophobicContact CG2-CG2 4.24Å; W202-V221 HydrophobicContact CH2-CG1 4.45Å; V221-L244 HydrophobicContact CB-CB 4.09Å; V221-L244 HydrophobicContact CG1-CB 4.02Å; V221-L244 HydrophobicContact CG1-CD1 4.09Å; V221-L244 PolarHBondContact O-N 3.06Å; V221-G245 PolarHBondContact N-O 3.36Å; V221-G245 PolarHBondContact O-N 3.06Å; V221-L264 HydrophobicContact CG2-CD1 4.04Å; V221-L264 HydrophobicContact CG2-CD2 3.81Å; V221-I277 HydrophobicContact CG2-CD1 4.12Å |
| 222 | W | 90.8 | Very high | 73.5 | Confident | 27 Ų | 27 | 56 Ų | 56 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.8 | -174.3 | -59.4 | 95.2 | 0 | 0 | 0 | 109.6 | P178 Y179 T181 R220 D241 D242 F243 | P178-W222 CarbonylContact C-O 3.59Å; P178-W222 VanDerWaalsContact CA-O 3.23Å; P178-W222 WeakPolarHBondContact CA-O 3.38Å; Y179-W222 HydrophobicContact CD1-CB 3.86Å; Y179-W222 HydrophobicContact CE1-CB 3.31Å; Y179-W222 HydrophobicContact CE1-CG 4.18Å; Y179-W222 HydrophobicContact CE2-CB 4.16Å; Y179-W222 AromaticContact CE2-CD1 3.92Å; Y179-W222 HydrophobicContact CE2-CG 4.29Å; Y179-W222 HydrophobicContact CG-CB 4.49Å; Y179-W222 VanDerWaalsContact CZ-CB 3.49Å; Y179-W222 AromaticContact CZ-CD1 3.93Å; Y179-W222 AromaticContact CZ-CG 3.84Å; Y179-W222 PolarHBondContact N-O 2.81Å; Y179-W222 PolarHBondContact O-N 2.97Å; T181-W222 PolarHBondContact OG1-NE1 3.49Å; R220-W222 HydrophobicContact CB-CZ2 4.16Å; W222-D241 HydrophobicContact CB-CB 4.39Å; W222-D241 HydrophobicContact CE3-CB 4.48Å; W222-D242 CarbonylContact C-O 3.51Å; W222-D242 VanDerWaalsContact CA-O 3.29Å; W222-D242 WeakPolarHBondContact CA-O 3.26Å; W222-F243 HydrophobicContact CD2-CD2 4.38Å; W222-F243 HydrophobicContact CE3-CB 4.16Å; W222-F243 HydrophobicContact CE3-CD2 4.05Å; W222-F243 AromaticContact CH2-CD2 3.8Å; W222-F243 HydrophobicContact CH2-CD2 3.8Å; W222-F243 HydrophobicContact CZ2-CD2 4.14Å; W222-F243 HydrophobicContact CZ3-CB 3.89Å; W222-F243 AromaticContact CZ3-CD2 3.75Å; W222-F243 HydrophobicContact CZ3-CD2 3.75Å; W222-F243 HydrophobicContact CZ3-CG 4.31Å |
| 223 | D | 89.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.5 | 172.8 | -161.8 | -0.2 | 0 | 0 | 0 | 109.8 | K170 S176 D177 D225 D241 D242 L244 | K170-D223 VanDerWaalsContact CB-OD2 3.31Å; K170-D223 WeakPolarHBondContact CB-OD2 2.97Å; S176-D223 WeakPolarHBondContact CA-OD2 3.28Å; S176-D223 WeakPolarHBondContact CB-OD2 3.45Å; S176-D223 PolarHBondContact OG-OD2 2.99Å; D177-D223 WeakPolarHBondContact CA-OD1 3.47Å; D177-D223 PolarHBondContact N-OD1 3.31Å; D223-D225 PolarHBondContact O-N 3.07Å; D223-D241 VanDerWaalsContact O-CB 3.32Å; D223-D241 WeakPolarHBondContact O-CB 3.38Å; D223-D242 HydrophobicContact CB-CB 3.9Å; D223-D242 PolarHBondContact N-O 2.95Å; D223-D242 PolarHBondContact O-N 3.32Å; D223-L244 HydrophobicContact CB-CD1 3.88Å; D223-L244 HydrophobicContact CB-CD2 4.09Å; D223-L244 HydrophobicContact CB-CG 3.91Å |
| 224 | E | 86.5 | Confident | 71.4 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | trans | -86.8 | 104.1 | -178.1 | -168.4 | 161.6 | -124.2 | 0 | 0 | 111.2 | D177 Y179 R190 T193 D226 | D177-E224 PolarHBondContact O-N 3.3Å; Y179-E224 HydrophobicContact CD1-CB 4.02Å; Y179-E224 HydrophobicContact CE1-CB 4.18Å; R190-E224 IonicContact CZ-OE1 2.99Å; R190-E224 IonicContact NH1-OE1 3.78Å; R190-E224 PolarHBondContact NH1-OE1 3.24Å; R190-E224 IonicContact NH2-OE1 2.61Å; R190-E224 PolarHBondContact NH2-OE1 2.91Å; R190-E224 IonicContact NH2-OE2 3.25Å; R190-E224 PolarHBondContact NH2-OE2 3.46Å; T193-E224 WeakPolarHBondContact CB-OE2 3.33Å; T193-E224 HydrophobicContact CG2-CB 3.79Å; T193-E224 VanDerWaalsContact CG2-OE2 3.31Å; T193-E224 WeakPolarHBondContact CG2-OE2 3.49Å; T193-E224 PolarHBondContact OG1-OE2 3.29Å; E224-D226 PolarHBondContact O-N 3.09Å | ||
| 225 | D | 72.8 | Confident | 70.4 | Confident | 60 Ų | 60 | 75.8 Ų | 75.8 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | trans | -78.6 | 83.5 | -179.2 | -65.8 | -54.6 | 0 | 0 | 0 | 113 | D223 D227 S230 | D223-D225 PolarHBondContact O-N 3.07Å; D225-D227 PolarHBondContact O-N 3.07Å; D225-S230 PolarHBondContact O-OG 3.09Å | ||
| 226 | D | 60 | Low | 68.9 | Low | 108 Ų | 108 | 82.4 Ų | 82.4 | 58% | 0.578 | 38% | 0.38 | S | S | * | . | trans | -95.3 | 44.6 | 176.9 | -152.9 | 15 | 0 | 0 | 0 | 114.1 | E224 | E224-D226 PolarHBondContact O-N 3.09Š| ||
| 227 | D | 57.5 | Low | 67.2 | Low | 112 Ų | 112 | 89.6 Ų | 89.6 | 60% | 0.599 | 41% | 0.411 | S | S | * | . | trans | -80.9 | 141.5 | 178.3 | -151.7 | 5.4 | 0 | 0 | 0 | 111.9 | D225 K229 S230 | D225-D227 PolarHBondContact O-N 3.07Å; D227-K229 PolarHBondContact O-N 3.41Å; D227-S230 WeakPolarHBondContact O-CB 3.47Å; D227-S230 PolarHBondContact O-N 3.25Å; D227-S230 PolarHBondContact O-OG 3.18Å | ||
| 228 | I | 53.1 | Low | 65 | Low | 137 Ų | 137 | 100.9 Ų | 100.9 | 70% | 0.703 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -55.6 | -24.9 | -176.2 | -85 | 167.9 | 0 | 0 | 0 | 113.5 | ||
| 229 | K | 52.4 | Low | 63.1 | Low | 167 Ų | 167 | 106.3 Ų | 106.3 | 73% | 0.726 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.2 | -30.2 | 172.9 | -84.7 | 179.3 | 177.9 | 171.6 | 0 | 113.6 | D227 V232 K233 | D227-K229 PolarHBondContact O-N 3.41Å; K229-V232 PolarHBondContact O-N 2.98Å; K229-K233 PolarHBondContact O-N 2.96Å; K229-K233 VanDerWaalsContact O-N 3.17Å |
| 230 | S | 52.2 | Low | 61.8 | Low | 29 Ų | 29 | 111 Ų | 111 | 20% | 0.203 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 177.8 | 78.9 | 0 | 0 | 0 | 0 | 110.4 | D225 D227 V232 K233 Q234 | D225-S230 PolarHBondContact O-OG 3.09Å; D227-S230 WeakPolarHBondContact O-CB 3.47Å; D227-S230 PolarHBondContact O-N 3.25Å; D227-S230 PolarHBondContact O-OG 3.18Å; S230-V232 VanDerWaalsContact C-N 3.28Å; S230-V232 PolarHBondContact O-N 3.14Å; S230-K233 PolarHBondContact O-N 2.65Å; S230-Q234 WeakPolarHBondContact O-CB 3Å; S230-Q234 WeakPolarHBondContact O-CG 3.13Å; S230-Q234 PolarHBondContact O-N 3.38Å |
| 231 | R | 53.7 | Low | 61.3 | Low | 178 Ų | 178 | 112.3 Ų | 112.3 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.6 | -31.6 | 175.2 | -66.8 | -175 | 70.1 | 177.4 | 3.6 | 114.2 | ||
| 232 | V | 53.1 | Low | 60.9 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -85.5 | -34.6 | 178.7 | -178.3 | 0 | 0 | 0 | 0 | 112 | K229 S230 | K229-V232 PolarHBondContact O-N 2.98Å; S230-V232 VanDerWaalsContact C-N 3.28Å; S230-V232 PolarHBondContact O-N 3.14Å |
| 233 | K | 49.5 | Very low | 60.7 | Low | 149 Ų | 149 | 115.2 Ų | 115.2 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -83.5 | -24.1 | 177.6 | -91 | -178.7 | 170.5 | -175.4 | 0 | 114.7 | K229 S230 R235 F236 K237 | K229-K233 PolarHBondContact O-N 2.96Å; K229-K233 VanDerWaalsContact O-N 3.17Å; S230-K233 PolarHBondContact O-N 2.65Å; K233-R235 PolarHBondContact O-N 3.41Å; K233-R235 VanDerWaalsContact O-N 3.11Å; K233-F236 PolarHBondContact O-N 3.12Å; K233-K237 PolarHBondContact O-N 3.16Å |
| 234 | Q | 47.8 | Very low | 60.6 | Low | 109 Ų | 109 | 115.2 Ų | 115.2 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.6 | 179.4 | -93.2 | 178.4 | -8.8 | 0 | 0 | 113.6 | S230 F236 | S230-Q234 WeakPolarHBondContact O-CB 3Å; S230-Q234 WeakPolarHBondContact O-CG 3.13Å; S230-Q234 PolarHBondContact O-N 3.38Å; Q234-F236 VanDerWaalsContact C-N 3.26Å; Q234-F236 PolarHBondContact O-N 3.47Å |
| 235 | R | 48.1 | Very low | 60.7 | Low | 225 Ų | 225 | 113.2 Ų | 113.2 | 85% | 0.849 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.9 | 173.9 | -86.7 | -174.5 | 176.9 | 178.6 | -0.1 | 114.3 | K233 | K233-R235 PolarHBondContact O-N 3.41Å; K233-R235 VanDerWaalsContact O-N 3.11Å |
| 236 | F | 45.4 | Very low | 61.4 | Low | 190 Ų | 190 | 111.2 Ų | 111.2 | 83% | 0.833 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | -24.3 | -175.9 | -75 | -78.9 | 0 | 0 | 0 | 115.5 | K233 Q234 | K233-F236 PolarHBondContact O-N 3.12Å; Q234-F236 VanDerWaalsContact C-N 3.26Å; Q234-F236 PolarHBondContact O-N 3.47Å |
| 237 | K | 46.8 | Very low | 62.7 | Low | 170 Ų | 170 | 106.5 Ų | 106.5 | 74% | 0.739 | 49% | 0.492 | S | S | * | . | trans | -148.9 | 126.3 | 165.4 | -74.5 | -173.6 | 178.5 | 175 | 0 | 109.2 | K233 E239 | K233-K237 PolarHBondContact O-N 3.16Å; K237-E239 PolarHBondContact O-N 3.03Å; K237-E239 VanDerWaalsContact O-N 3.1Å | ||
| 238 | R | 43.1 | Very low | 64 | Low | 238 Ų | 238 | 103.4 Ų | 103.4 | 90% | 0.898 | 48% | 0.475 | S | S | * | . | trans | -76.8 | 90.2 | 174 | -165.4 | 179.5 | -173.5 | 176.2 | 3 | 107.8 | ||||
| 239 | E | 47 | Very low | 65.6 | Low | 155 Ų | 155 | 97.1 Ų | 97.1 | 72% | 0.724 | 44% | 0.443 | S | S | * | . | trans | -68 | 141.8 | 164.2 | -79.2 | 174.1 | 172.4 | 0 | 0 | 108.4 | K237 | K237-E239 PolarHBondContact O-N 3.03Å; K237-E239 VanDerWaalsContact O-N 3.1Å | ||
| 240 | S | 64.6 | Low | 67 | Low | 98 Ų | 98 | 90.5 Ų | 90.5 | 69% | 0.685 | 41% | 0.414 | S | S | * | . | trans | -96 | 134.8 | -176.7 | 54 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 241 | D | 80.9 | Confident | 68.3 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | trans | -34.1 | 139.2 | 169.7 | -54.3 | -10.8 | 0 | 0 | 0 | 112.9 | Y179 W222 D223 | Y179-D241 HydrophobicContact CE1-CB 4.3Å; Y179-D241 WeakPolarHBondContact CE1-OD2 3.17Å; Y179-D241 PolarHBondContact OH-OD2 3.03Å; W222-D241 HydrophobicContact CB-CB 4.39Å; W222-D241 HydrophobicContact CE3-CB 4.48Å; D223-D241 VanDerWaalsContact O-CB 3.32Å; D223-D241 WeakPolarHBondContact O-CB 3.38Å | ||
| 242 | D | 85.2 | Confident | 69.4 | Low | 67 Ų | 67 | 83.9 Ų | 83.9 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 137.8 | -172.9 | -104.9 | -16 | 0 | 0 | 0 | 111.7 | K170 W222 D223 L244 | K170-D242 HydrophobicContact CB-CB 4.46Å; K170-D242 HydrophobicContact CG-CB 4.28Å; W222-D242 CarbonylContact C-O 3.51Å; W222-D242 VanDerWaalsContact CA-O 3.29Å; W222-D242 WeakPolarHBondContact CA-O 3.26Å; D223-D242 HydrophobicContact CB-CB 3.9Å; D223-D242 PolarHBondContact N-O 2.95Å; D223-D242 PolarHBondContact O-N 3.32Å; D242-L244 PolarHBondContact O-N 2.91Å |
| 243 | F | 85.6 | Confident | 70.8 | Confident | 22 Ų | 22 | 79.5 Ų | 79.5 | 10% | 0.096 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 117.3 | -175.8 | -178 | -101.6 | 0 | 0 | 0 | 111.3 | R220 W222 G245 Q246 R267 V273 | R220-F243 HydrophobicContact CB-CE2 4.41Å; W222-F243 HydrophobicContact CD2-CD2 4.38Å; W222-F243 HydrophobicContact CE3-CB 4.16Å; W222-F243 HydrophobicContact CE3-CD2 4.05Å; W222-F243 AromaticContact CH2-CD2 3.8Å; W222-F243 HydrophobicContact CH2-CD2 3.8Å; W222-F243 HydrophobicContact CZ2-CD2 4.14Å; W222-F243 HydrophobicContact CZ3-CB 3.89Å; W222-F243 AromaticContact CZ3-CD2 3.75Å; W222-F243 HydrophobicContact CZ3-CD2 3.75Å; W222-F243 HydrophobicContact CZ3-CG 4.31Å; F243-G245 VanDerWaalsContact CE2-O 3.31Å; F243-G245 WeakPolarHBondContact CE2-O 3.42Å; F243-G245 WeakPolarHBondContact CZ-O 3.26Å; F243-Q246 HydrophobicContact CE2-CB 4.04Å; F243-Q246 HydrophobicContact CZ-CB 3.68Å; F243-Q246 HydrophobicContact CZ-CG 3.82Å; F243-R267 HydrophobicContact CD1-CB 4.06Å; F243-R267 HydrophobicContact CE1-CB 3.49Å; F243-R267 VanDerWaalsContact CE1-CB 3.49Å; F243-R267 HydrophobicContact CE2-CB 4.24Å; F243-R267 HydrophobicContact CZ-CB 3.58Å; F243-V273 HydrophobicContact CD1-CG2 4.02Å; F243-V273 HydrophobicContact CE1-CG2 3.79Å |
| 244 | L | 86.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -25.2 | 179.8 | -65.5 | 179.3 | 0 | 0 | 0 | 113.3 | L167 Q168 K170 P178 V221 D223 D242 V273 | L167-L244 HydrophobicContact CD1-CD1 4.39Å; Q168-L244 WeakPolarHBondContact O-CD2 3.06Å; K170-L244 HydrophobicContact CD-CD2 4.48Å; K170-L244 HydrophobicContact CG-CD2 3.49Å; K170-L244 VanDerWaalsContact CG-CD2 3.49Å; P178-L244 HydrophobicContact CB-CD1 3.77Å; V221-L244 HydrophobicContact CB-CB 4.09Å; V221-L244 HydrophobicContact CG1-CB 4.02Å; V221-L244 HydrophobicContact CG1-CD1 4.09Å; V221-L244 PolarHBondContact O-N 3.06Å; D223-L244 HydrophobicContact CB-CD1 3.88Å; D223-L244 HydrophobicContact CB-CD2 4.09Å; D223-L244 HydrophobicContact CB-CG 3.91Å; D242-L244 PolarHBondContact O-N 2.91Å; L244-V273 WeakPolarHBondContact O-CG1 3.26Å |
| 245 | G | 88.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.9 | 169.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V221 F243 | V221-G245 PolarHBondContact N-O 3.36Å; V221-G245 PolarHBondContact O-N 3.06Å; F243-G245 VanDerWaalsContact CE2-O 3.31Å; F243-G245 WeakPolarHBondContact CE2-O 3.42Å; F243-G245 WeakPolarHBondContact CZ-O 3.26Å |
| 246 | Q | 87.6 | Confident | 75.6 | Confident | 19 Ų | 19 | 57 Ų | 57 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.2 | 171.9 | 69 | -177.1 | 3.7 | 0 | 0 | 112.2 | V219 R220 F243 D265 | V219-Q246 CarbonylContact O-C 3.53Å; V219-Q246 WeakPolarHBondContact O-CA 3.41Å; V219-Q246 WeakPolarHBondContact O-CB 3.47Å; R220-Q246 HydrophobicContact CB-CB 4.42Å; R220-Q246 HydrophobicContact CG-CB 3.81Å; F243-Q246 HydrophobicContact CE2-CB 4.04Å; F243-Q246 HydrophobicContact CZ-CB 3.68Å; F243-Q246 HydrophobicContact CZ-CG 3.82Å; Q246-D265 PolarHBondContact N-O 3.24Å; Q246-D265 VanDerWaalsContact N-O 3.14Å; Q246-D265 PolarHBondContact O-N 3.35Å |
| 247 | T | 87.6 | Confident | 77.4 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.8 | 160.9 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | V219 Y262 I277 M279 | V219-T247 HydrophobicContact CB-CG2 3.78Å; V219-T247 HydrophobicContact CG1-CG2 4.4Å; V219-T247 HydrophobicContact CG2-CG2 4.38Å; V219-T247 PolarHBondContact N-O 3.41Å; V219-T247 PolarHBondContact O-N 2.98Å; T247-Y262 HydrophobicContact CG2-CG 4.2Å; T247-I277 HydrophobicContact CG2-CG2 3.98Å; T247-M279 HydrophobicContact CG2-CE 3.73Å |
| 248 | I | 85.6 | Confident | 79.1 | Confident | 48 Ų | 48 | 45.9 Ų | 45.9 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 111 | -179.5 | -59 | 179.9 | 0 | 0 | 0 | 107 | R216 I217 | R216-I248 HydrophobicContact CB-CG2 3.89Å; R216-I248 HydrophobicContact CG-CG2 4.11Å; I217-I248 WeakPolarHBondContact O-CA 3.41Å |
| 249 | I | 85.9 | Confident | 81.1 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.6 | -177.5 | -51.6 | 168.7 | 0 | 0 | 0 | 107.9 | R216 I217 L254 Y262 M279 I281 | R216-I249 CarbonylContact C-O 3.54Å; R216-I249 WeakPolarHBondContact CA-O 3.47Å; I217-I249 HydrophobicContact CB-CB 4.25Å; I217-I249 PolarHBondContact N-O 2.99Å; I217-I249 PolarHBondContact O-N 2.98Å; I249-L254 HydrophobicContact CG2-CD1 4.47Å; I249-L254 HydrophobicContact CG2-CD2 3.8Å; I249-L254 HydrophobicContact CG2-CG 4.17Å; I249-Y262 HydrophobicContact CD1-CD1 3.99Å; I249-Y262 HydrophobicContact CD1-CD2 4.07Å; I249-Y262 HydrophobicContact CD1-CE1 3.57Å; I249-Y262 HydrophobicContact CD1-CE2 3.64Å; I249-Y262 HydrophobicContact CD1-CG 4.23Å; I249-Y262 HydrophobicContact CG1-CD1 3.93Å; I249-Y262 HydrophobicContact CG1-CE1 3.57Å; I249-Y262 HydrophobicContact CG2-CE1 4.33Å; I249-M279 HydrophobicContact CD1-CE 3.45Å; I249-M279 VanDerWaalsContact CD1-CE 3.45Å; I249-I281 HydrophobicContact CD1-CD1 3.69Å |
| 250 | E | 81.8 | Confident | 82.9 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 13% | 0.131 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 132.5 | 175.4 | -57.5 | -166.2 | 143.7 | 0 | 0 | 109.2 | R216 R252 T253 | R216-E250 HydrophobicContact CG-CG 4.27Å; R216-E250 IonicContact CZ-OE1 3.39Å; R216-E250 IonicContact NE-OE1 3.93Å; R216-E250 PolarHBondContact NE-OE1 3.34Å; R216-E250 IonicContact NH2-OE1 2.79Å; R216-E250 PolarHBondContact NH2-OE1 2.99Å; E250-R252 HydrophobicContact CB-CG 4Å; E250-R252 PolarHBondContact O-N 3.06Å; E250-R252 IonicContact OE1-NH2 2.61Å; E250-R252 IonicContact OE2-CZ 2.67Å; E250-R252 IonicContact OE2-NE 3.15Å; E250-R252 PolarHBondContact OE2-NE 3.48Å; E250-R252 IonicContact OE2-NH2 3.03Å; E250-R252 PolarHBondContact OE2-NH2 3.09Å; E250-T253 HydrophobicContact CB-CG2 4.36Å; E250-T253 PolarHBondContact O-N 3.33Å; E250-T253 PolarHBondContact O-OG1 3.25Å |
| 251 | V | 79.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -62 | -25.4 | -173.5 | 170.8 | 0 | 0 | 0 | 0 | 112.2 | W153 I157 D215 I217 T253 L254 | W153-V251 HydrophobicContact CH2-CG1 3.1Å; W153-V251 HydrophobicContact CZ2-CG1 3.64Å; W153-V251 HydrophobicContact CZ3-CG1 3.89Å; I157-V251 HydrophobicContact CD1-CG1 4.29Å; I157-V251 HydrophobicContact CD1-CG2 4.15Å; D215-V251 HydrophobicContact CB-CG2 4.43Å; D215-V251 WeakPolarHBondContact O-CB 3.34Å; D215-V251 WeakPolarHBondContact O-CG2 3.38Å; D215-V251 PolarHBondContact O-N 3.26Å; I217-V251 HydrophobicContact CD1-CG2 4.38Å; I217-V251 HydrophobicContact CG1-CG2 3.92Å; V251-T253 PolarHBondContact O-N 3.14Å; V251-L254 WeakPolarHBondContact O-CB 3.32Å; V251-L254 PolarHBondContact O-N 3.49Å; V251-L254 VanDerWaalsContact O-N 3.16Å |
| 252 | R | 77.1 | Confident | 84 | Confident | 67 Ų | 67 | 27.6 Ų | 27.6 | 25% | 0.253 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -61.9 | -23.6 | 173 | 67.4 | 177.6 | 172.3 | 178.4 | 1.6 | 115 | N79 S213 E250 Y294 | N79-R252 PolarHBondContact ND2-NH2 2.9Å; N79-R252 PolarHBondContact O-NH2 2.86Å; N79-R252 PolarHBondContact OD1-NH2 2.87Å; S213-R252 PolarHBondContact O-N 3.48Å; E250-R252 HydrophobicContact CB-CG 4Å; E250-R252 PolarHBondContact O-N 3.06Å; E250-R252 IonicContact OE1-NH2 2.61Å; E250-R252 IonicContact OE2-CZ 2.67Å; E250-R252 IonicContact OE2-NE 3.15Å; E250-R252 PolarHBondContact OE2-NE 3.48Å; E250-R252 IonicContact OE2-NH2 3.03Å; E250-R252 PolarHBondContact OE2-NH2 3.09Å; R252-Y294 WeakPolarHBondContact O-CE2 3.17Å |
| 253 | T | 81.7 | Confident | 84 | Confident | 22 Ų | 22 | 29.2 Ų | 29.2 | 14% | 0.135 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -88.4 | 6.9 | 178.6 | 69.9 | 0 | 0 | 0 | 0 | 112.1 | E250 V251 Y294 Y348 | E250-T253 HydrophobicContact CB-CG2 4.36Å; E250-T253 PolarHBondContact O-N 3.33Å; E250-T253 PolarHBondContact O-OG1 3.25Å; V251-T253 PolarHBondContact O-N 3.14Å; T253-Y294 WeakPolarHBondContact O-CD2 3.31Å; T253-Y348 VanDerWaalsContact CB-O 3.27Å; T253-Y348 WeakPolarHBondContact CB-O 3.16Å |
| 254 | L | 81.5 | Confident | 84 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | trans | -104.6 | 134.4 | -179.8 | -57.9 | 172.5 | 0 | 0 | 0 | 111.5 | I217 I249 V251 M258 I281 V283 | I217-L254 HydrophobicContact CD1-CD1 3.4Å; I217-L254 VanDerWaalsContact CD1-CD1 3.4Å; I217-L254 HydrophobicContact CG1-CD1 4.46Å; I249-L254 HydrophobicContact CG2-CD1 4.47Å; I249-L254 HydrophobicContact CG2-CD2 3.8Å; I249-L254 HydrophobicContact CG2-CG 4.17Å; V251-L254 WeakPolarHBondContact O-CB 3.32Å; V251-L254 PolarHBondContact O-N 3.49Å; V251-L254 VanDerWaalsContact O-N 3.16Å; L254-M258 HydrophobicContact CB-SD 4.22Å; L254-M258 HydrophobicContact CD2-CE 4.41Å; L254-M258 HydrophobicContact CD2-SD 3.65Å; L254-I281 HydrophobicContact CD1-CG2 4.2Å; L254-I281 HydrophobicContact CD2-CD1 4.07Å; L254-I281 HydrophobicContact CD2-CG2 3.99Å; L254-V283 HydrophobicContact CB-CB 4.45Å; L254-V283 HydrophobicContact CB-CG2 3.61Å; L254-V283 HydrophobicContact CD1-CG2 3.98Å; L254-V283 HydrophobicContact CG-CG2 4.33Å | ||
| 255 | S | 81.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -155.8 | 131.1 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | M258 V291 A292 P293 Y294 | S255-M258 PolarHBondContact N-SD 2.86Å; S255-M258 VanDerWaalsContact O-CG 3.28Å; S255-M258 WeakPolarHBondContact O-CG 3.41Å; S255-V291 WeakPolarHBondContact OG-CG2 3.47Å; S255-A292 PolarHBondContact OG-O 3.28Å; S255-P293 WeakPolarHBondContact O-CA 3.23Å; S255-Y294 VanDerWaalsContact CB-CE2 3.46Å | ||
| 256 | G | 83.9 | Confident | 83.4 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 8% | 0.082 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 64.6 | -144.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S282 V283 V291 | G256-S282 CarbonylContact O-C 3.6Å; G256-S282 WeakPolarHBondContact O-CA 3.49Å; G256-V283 PolarHBondContact O-N 3.27Å; G256-V291 WeakPolarHBondContact CA-O 3.43Å |
| 257 | E | 83.7 | Confident | 82.6 | Confident | 121 Ų | 121 | 42.1 Ų | 42.1 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 110.2 | 177.8 | -172.4 | 173 | -142.2 | 0 | 0 | 110.4 | H280 P293 | E257-H280 WeakPolarHBondContact CG-NE2 3.25Å; E257-H280 IonicContact OE1-CE1 3.73Å; E257-H280 PolarHBondContact OE1-CE1 3.44Å; E257-H280 IonicContact OE1-NE2 2.83Å; E257-H280 PolarHBondContact OE1-NE2 2.85Å; E257-P293 WeakPolarHBondContact O-CG 3.23Å |
| 258 | M | 81.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.3 | -174.4 | -59 | -177.8 | 66.6 | 0 | 0 | 110.1 | L254 S255 V260 H280 I281 P293 | L254-M258 HydrophobicContact CB-SD 4.22Å; L254-M258 HydrophobicContact CD2-CE 4.41Å; L254-M258 HydrophobicContact CD2-SD 3.65Å; S255-M258 PolarHBondContact N-SD 2.86Å; S255-M258 VanDerWaalsContact O-CG 3.28Å; S255-M258 WeakPolarHBondContact O-CG 3.41Å; M258-V260 HydrophobicContact CB-CG2 4.02Å; M258-V260 HydrophobicContact CE-CG2 4.04Å; M258-H280 CarbonylContact O-C 3.6Å; M258-H280 VanDerWaalsContact O-CA 3.29Å; M258-H280 WeakPolarHBondContact O-CA 3.44Å; M258-I281 PolarHBondContact N-O 3.34Å; M258-I281 PolarHBondContact O-N 3.43Å; M258-P293 HydrophobicContact CG-CB 4.13Å; M258-P293 HydrophobicContact CG-CG 4.33Å |
| 259 | D | 85.6 | Confident | 80.6 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 100.2 | 169 | -174.2 | -0.1 | 0 | 0 | 0 | 108.3 | R278 | D259-R278 IonicContact OD1-CZ 2.65Å; D259-R278 IonicContact OD1-NE 2.71Å; D259-R278 PolarHBondContact OD1-NE 3.26Å; D259-R278 IonicContact OD1-NH2 2.74Å; D259-R278 IonicContact OD2-CZ 3.29Å; D259-R278 IonicContact OD2-NE 3.68Å; D259-R278 IonicContact OD2-NH2 3.59Å; D259-R278 PolarHBondContact OD2-NH2 3.48Å |
| 260 | V | 83.6 | Confident | 79.6 | Confident | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.3 | -163.9 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | M258 Y262 M279 N407 | M258-V260 HydrophobicContact CB-CG2 4.02Å; M258-V260 HydrophobicContact CE-CG2 4.04Å; V260-Y262 HydrophobicContact CB-CD2 4.33Å; V260-Y262 HydrophobicContact CB-CE2 3.6Å; V260-Y262 HydrophobicContact CG1-CD1 4.48Å; V260-Y262 HydrophobicContact CG1-CD2 3.99Å; V260-Y262 HydrophobicContact CG1-CE1 4.03Å; V260-Y262 HydrophobicContact CG1-CE2 3.5Å; V260-Y262 HydrophobicContact CG1-CG 4.46Å; V260-M279 PolarHBondContact N-O 3.45Å; V260-M279 PolarHBondContact O-N 2.86Å; V260-N407 WeakPolarHBondContact CA-OD1 3.32Å; V260-N407 WeakPolarHBondContact CG1-OD1 3.29Å |
| 261 | W | 84.8 | Confident | 79.1 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 15% | 0.148 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.2 | 166.9 | -76.7 | 93.1 | 0 | 0 | 0 | 110.4 | Q165 A276 I277 R278 A405 N407 | Q165-W261 HydrophobicContact CB-CH2 3.87Å; Q165-W261 HydrophobicContact CB-CZ3 3.84Å; W261-A276 HydrophobicContact CE3-CB 3.77Å; W261-A276 HydrophobicContact CZ3-CB 4.26Å; W261-I277 WeakPolarHBondContact CA-O 3.5Å; W261-R278 HydrophobicContact CD2-CB 3.71Å; W261-R278 HydrophobicContact CD2-CG 4.14Å; W261-R278 HydrophobicContact CE3-CB 3.86Å; W261-R278 HydrophobicContact CG-CB 4.36Å; W261-R278 HydrophobicContact CG-CG 4.39Å; W261-R278 HydrophobicContact CH2-CB 3.93Å; W261-R278 HydrophobicContact CZ2-CB 3.78Å; W261-R278 HydrophobicContact CZ2-CG 4.23Å; W261-R278 HydrophobicContact CZ3-CB 3.97Å; W261-A405 HydrophobicContact CB-CB 4.06Å; W261-A405 WeakPolarHBondContact CB-O 3.42Å; W261-A405 HydrophobicContact CD2-CB 3.63Å; W261-A405 HydrophobicContact CE3-CB 3.96Å; W261-A405 HydrophobicContact CG-CB 3.7Å; W261-N407 PolarHBondContact N-OD1 3.42Å; W261-N407 PolarHBondContact O-ND2 2.91Å |
| 262 | Y | 84.9 | Confident | 79 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.8 | 176.2 | -65.3 | -90.3 | 0 | 0 | 0 | 109.7 | T247 I249 V260 A276 I277 M279 I281 | T247-Y262 HydrophobicContact CG2-CG 4.2Å; I249-Y262 HydrophobicContact CD1-CD1 3.99Å; I249-Y262 HydrophobicContact CD1-CD2 4.07Å; I249-Y262 HydrophobicContact CD1-CE1 3.57Å; I249-Y262 HydrophobicContact CD1-CE2 3.64Å; I249-Y262 HydrophobicContact CD1-CG 4.23Å; I249-Y262 HydrophobicContact CG1-CD1 3.93Å; I249-Y262 HydrophobicContact CG1-CE1 3.57Å; I249-Y262 HydrophobicContact CG2-CE1 4.33Å; V260-Y262 HydrophobicContact CB-CD2 4.33Å; V260-Y262 HydrophobicContact CB-CE2 3.6Å; V260-Y262 HydrophobicContact CG1-CD1 4.48Å; V260-Y262 HydrophobicContact CG1-CD2 3.99Å; V260-Y262 HydrophobicContact CG1-CE1 4.03Å; V260-Y262 HydrophobicContact CG1-CE2 3.5Å; V260-Y262 HydrophobicContact CG1-CG 4.46Å; Y262-A276 CarbonylContact O-C 3.55Å; Y262-A276 VanDerWaalsContact O-CA 3.22Å; Y262-A276 WeakPolarHBondContact O-CA 3.16Å; Y262-A276 WeakPolarHBondContact O-CB 3.44Å; Y262-I277 PolarHBondContact N-O 3.41Å; Y262-I277 PolarHBondContact O-N 3.36Å; Y262-M279 HydrophobicContact CD2-CE 3.32Å; Y262-M279 HydrophobicContact CE2-CE 3.71Å; Y262-M279 HydrophobicContact CG-CE 3.98Å; Y262-I281 HydrophobicContact CE2-CD1 4.16Å |
| 263 | N | 84.4 | Confident | 79.2 | Confident | 102 Ų | 102 | 59 Ų | 59 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 145 | 170.7 | -71.7 | -32.8 | 0 | 0 | 0 | 110.3 | ||
| 264 | L | 86.5 | Confident | 79.1 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 123.4 | 177.5 | -66.2 | 176.7 | 0 | 0 | 0 | 110.8 | L167 V221 V273 G275 I277 | L167-L264 HydrophobicContact CD2-CD1 3.4Å; V221-L264 HydrophobicContact CG2-CD1 4.04Å; V221-L264 HydrophobicContact CG2-CD2 3.81Å; L264-V273 HydrophobicContact CB-CG1 3.67Å; L264-V273 WeakPolarHBondContact O-CG1 3.38Å; L264-G275 WeakPolarHBondContact CB-O 3.02Å; L264-G275 PolarHBondContact N-O 3.44Å; L264-I277 HydrophobicContact CD2-CB 4.31Å; L264-I277 HydrophobicContact CD2-CG2 3.84Å |
| 265 | D | 82.4 | Confident | 79.1 | Confident | 91 Ų | 91 | 59 Ų | 59 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 151.9 | 178.4 | -64.5 | -46.8 | 0 | 0 | 0 | 112.4 | Q246 | Q246-D265 PolarHBondContact N-O 3.24Å; Q246-D265 VanDerWaalsContact N-O 3.14Å; Q246-D265 PolarHBondContact O-N 3.35Å |
| 266 | K | 79.9 | Confident | 79.4 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 138.6 | 171.4 | -66.5 | 178.3 | 178 | 177.7 | 0 | 110.2 | S271 V273 | K266-S271 WeakPolarHBondContact CD-O 3.31Å; K266-S271 WeakPolarHBondContact CE-O 3.26Å; K266-S271 VanDerWaalsContact CG-O 3.28Å; K266-S271 WeakPolarHBondContact CG-O 3.27Å; K266-V273 HydrophobicContact CB-CG2 4.48Å; K266-V273 HydrophobicContact CG-CB 3.86Å; K266-V273 HydrophobicContact CG-CG2 3.97Å |
| 267 | R | 70.7 | Confident | 79.7 | Confident | 103 Ų | 103 | 59 Ų | 59 | 39% | 0.389 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -81.4 | -31.2 | 173.2 | -175.3 | 177.7 | -179.7 | -162.1 | 0.6 | 112.5 | F243 | F243-R267 HydrophobicContact CD1-CB 4.06Å; F243-R267 HydrophobicContact CE1-CB 3.49Å; F243-R267 VanDerWaalsContact CE1-CB 3.49Å; F243-R267 HydrophobicContact CE2-CB 4.24Å; F243-R267 HydrophobicContact CZ-CB 3.58Å |
| 268 | T | 67.3 | Low | 80 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 47% | 0.466 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -146.7 | 161.7 | 176.8 | 65.4 | 0 | 0 | 0 | 0 | 109.2 | K270 S271 | T268-K270 PolarHBondContact O-N 2.84Å; T268-S271 PolarHBondContact N-OG 3.16Å; T268-S271 VanDerWaalsContact O-CB 3.28Å; T268-S271 WeakPolarHBondContact O-CB 3.44Å; T268-S271 PolarHBondContact O-N 2.88Å; T268-S271 PolarHBondContact O-OG 3.01Å; T268-S271 PolarHBondContact OG1-OG 2.96Å; T268-S271 VanDerWaalsContact OG1-OG 3.09Å |
| 269 | D | 64.6 | Low | 80.5 | Confident | 159 Ų | 159 | 56.9 Ų | 56.9 | 85% | 0.85 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -18.5 | 178.1 | -51.6 | -41.9 | 0 | 0 | 0 | 113.5 | ||
| 270 | K | 64.9 | Low | 80.8 | Confident | 200 Ų | 200 | 55.8 Ų | 55.8 | 87% | 0.87 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.1 | 176.2 | -61.7 | -174.8 | 178.6 | -176.1 | 0 | 113.6 | T268 A272 | T268-K270 PolarHBondContact O-N 2.84Å; K270-A272 PolarHBondContact O-N 2.78Å |
| 271 | S | 71.8 | Confident | 81.1 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | trans | -79.7 | 117.1 | -178.7 | -57.6 | 0 | 0 | 0 | 0 | 110 | K266 T268 | K266-S271 WeakPolarHBondContact CD-O 3.31Å; K266-S271 WeakPolarHBondContact CE-O 3.26Å; K266-S271 VanDerWaalsContact CG-O 3.28Å; K266-S271 WeakPolarHBondContact CG-O 3.27Å; T268-S271 PolarHBondContact N-OG 3.16Å; T268-S271 VanDerWaalsContact O-CB 3.28Å; T268-S271 WeakPolarHBondContact O-CB 3.44Å; T268-S271 PolarHBondContact O-N 2.88Å; T268-S271 PolarHBondContact O-OG 3.01Å; T268-S271 PolarHBondContact OG1-OG 2.96Å; T268-S271 VanDerWaalsContact OG1-OG 3.09Å | ||
| 272 | A | 76.9 | Confident | 81.2 | Confident | 45 Ų | 45 | 55 Ų | 55 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | trans | -83.4 | 114.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q168 K170 K270 | Q168-A272 HydrophobicContact CG-CB 4.41Å; K170-A272 PolarHBondContact NZ-O 2.82Å; K270-A272 PolarHBondContact O-N 2.78Å | ||
| 273 | V | 80.9 | Confident | 81.2 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | trans | -134.2 | 137.7 | -174.8 | 170.5 | 0 | 0 | 0 | 0 | 108 | F243 L244 L264 K266 | F243-V273 HydrophobicContact CD1-CG2 4.02Å; F243-V273 HydrophobicContact CE1-CG2 3.79Å; L244-V273 WeakPolarHBondContact O-CG1 3.26Å; L264-V273 HydrophobicContact CB-CG1 3.67Å; L264-V273 WeakPolarHBondContact O-CG1 3.38Å; K266-V273 HydrophobicContact CB-CG2 4.48Å; K266-V273 HydrophobicContact CG-CB 3.86Å; K266-V273 HydrophobicContact CG-CG2 3.97Å | ||
| 274 | S | 79 | Confident | 81.1 | Confident | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | trans | -146.9 | 160.2 | 171.5 | 68.3 | 0 | 0 | 0 | 0 | 110 | G166 Q168 | G166-S274 CarbonylContact O-C 3.42Å; G166-S274 VanDerWaalsContact O-C 3.25Å; G166-S274 PolarHBondContact O-OG 3.39Å; Q168-S274 WeakPolarHBondContact CA-OG 3.46Å; Q168-S274 PolarHBondContact N-OG 3Å; Q168-S274 VanDerWaalsContact N-OG 3.14Å | ||
| 275 | G | 82.1 | Confident | 80.8 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | trans | 98 | 179.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q165 G166 L264 | Q165-G275 CarbonylContact O-C 3.55Å; Q165-G275 WeakPolarHBondContact O-CA 3.2Å; G166-G275 VanDerWaalsContact O-CA 3.27Å; G166-G275 WeakPolarHBondContact O-CA 2.98Å; G166-G275 PolarHBondContact O-N 3Å; L264-G275 WeakPolarHBondContact CB-O 3.02Å; L264-G275 PolarHBondContact N-O 3.44Å | ||
| 276 | A | 87.2 | Confident | 80.3 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A164 Q165 W261 Y262 | A164-A276 CarbonylContact C-O 3.57Å; A164-A276 VanDerWaalsContact CA-O 3.28Å; A164-A276 WeakPolarHBondContact CA-O 3.25Å; A164-A276 WeakPolarHBondContact CB-O 3.23Å; Q165-A276 PolarHBondContact N-O 2.79Å; Q165-A276 PolarHBondContact O-N 2.97Å; W261-A276 HydrophobicContact CE3-CB 3.77Å; W261-A276 HydrophobicContact CZ3-CB 4.26Å; Y262-A276 CarbonylContact O-C 3.55Å; Y262-A276 VanDerWaalsContact O-CA 3.22Å; Y262-A276 WeakPolarHBondContact O-CA 3.16Å; Y262-A276 WeakPolarHBondContact O-CB 3.44Å |
| 277 | I | 90.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.4 | 178.3 | -172.1 | 171.4 | 0 | 0 | 0 | 110 | V161 C163 A164 V180 W202 V219 V221 T247 W261 Y262 L264 M279 | V161-I277 HydrophobicContact CG1-CD1 4.06Å; C163-I277 WeakPolarHBondContact O-CG1 3.4Å; A164-I277 HydrophobicContact CB-CB 4.38Å; A164-I277 HydrophobicContact CB-CG1 4.36Å; V180-I277 HydrophobicContact CG1-CD1 4.03Å; V180-I277 HydrophobicContact CG2-CD1 3.88Å; W202-I277 HydrophobicContact CZ3-CD1 4.43Å; V219-I277 HydrophobicContact CG1-CD1 3.94Å; V221-I277 HydrophobicContact CG2-CD1 4.12Å; T247-I277 HydrophobicContact CG2-CG2 3.98Å; W261-I277 WeakPolarHBondContact CA-O 3.5Å; Y262-I277 PolarHBondContact N-O 3.41Å; Y262-I277 PolarHBondContact O-N 3.36Å; L264-I277 HydrophobicContact CD2-CB 4.31Å; L264-I277 HydrophobicContact CD2-CG2 3.84Å; I277-M279 HydrophobicContact CG1-CG 4.28Å; I277-M279 HydrophobicContact CG2-CE 4.21Å |
| 278 | R | 91.4 | Very high | 79.5 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127 | 175.1 | -168.3 | -178.2 | 177.8 | -178.3 | 0.6 | 109.9 | V162 C163 D259 W261 | V162-R278 HydrophobicContact CB-CB 4.39Å; V162-R278 HydrophobicContact CB-CG 4.42Å; V162-R278 PolarHBondContact N-O 2.99Å; V162-R278 VanDerWaalsContact N-O 3.1Å; C163-R278 PolarHBondContact O-N 2.97Å; D259-R278 IonicContact OD1-CZ 2.65Å; D259-R278 IonicContact OD1-NE 2.71Å; D259-R278 PolarHBondContact OD1-NE 3.26Å; D259-R278 IonicContact OD1-NH2 2.74Å; D259-R278 IonicContact OD2-CZ 3.29Å; D259-R278 IonicContact OD2-NE 3.68Å; D259-R278 IonicContact OD2-NH2 3.59Å; D259-R278 PolarHBondContact OD2-NH2 3.48Å; W261-R278 HydrophobicContact CD2-CB 3.71Å; W261-R278 HydrophobicContact CD2-CG 4.14Å; W261-R278 HydrophobicContact CE3-CB 3.86Å; W261-R278 HydrophobicContact CG-CB 4.36Å; W261-R278 HydrophobicContact CG-CG 4.39Å; W261-R278 HydrophobicContact CH2-CB 3.93Å; W261-R278 HydrophobicContact CZ2-CB 3.78Å; W261-R278 HydrophobicContact CZ2-CG 4.23Å; W261-R278 HydrophobicContact CZ3-CB 3.97Å |
| 279 | M | 91.5 | Very high | 79.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.2 | 177.5 | -66.1 | -177.3 | -71.3 | 0 | 0 | 110.7 | I159 T160 V219 T247 I249 V260 Y262 I277 I281 | I159-M279 HydrophobicContact CG2-SD 4.33Å; T160-M279 WeakPolarHBondContact O-CA 3.33Å; V219-M279 HydrophobicContact CB-CE 4.37Å; V219-M279 HydrophobicContact CB-SD 4.18Å; V219-M279 HydrophobicContact CG1-CE 4.39Å; V219-M279 HydrophobicContact CG1-SD 3.78Å; V219-M279 HydrophobicContact CG2-CE 4.01Å; V219-M279 HydrophobicContact CG2-SD 3.68Å; T247-M279 HydrophobicContact CG2-CE 3.73Å; I249-M279 HydrophobicContact CD1-CE 3.45Å; I249-M279 VanDerWaalsContact CD1-CE 3.45Å; V260-M279 PolarHBondContact N-O 3.45Å; V260-M279 PolarHBondContact O-N 2.86Å; Y262-M279 HydrophobicContact CD2-CE 3.32Å; Y262-M279 HydrophobicContact CE2-CE 3.71Å; Y262-M279 HydrophobicContact CG-CE 3.98Å; I277-M279 HydrophobicContact CG1-CG 4.28Å; I277-M279 HydrophobicContact CG2-CE 4.21Å; M279-I281 HydrophobicContact CB-CD1 4.34Å; M279-I281 HydrophobicContact CB-CG1 4.1Å |
| 280 | H | 91.2 | Very high | 79.2 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 107.2 | 171.4 | -179.7 | -95.3 | 0 | 0 | 0 | 108.7 | T160 V162 E257 M258 | T160-H280 PolarHBondContact N-O 3.03Å; T160-H280 PolarHBondContact O-N 3.33Å; V162-H280 HydrophobicContact CG2-CB 4.09Å; E257-H280 WeakPolarHBondContact CG-NE2 3.25Å; E257-H280 IonicContact OE1-CE1 3.73Å; E257-H280 PolarHBondContact OE1-CE1 3.44Å; E257-H280 IonicContact OE1-NE2 2.83Å; E257-H280 PolarHBondContact OE1-NE2 2.85Å; M258-H280 CarbonylContact O-C 3.6Å; M258-H280 VanDerWaalsContact O-CA 3.29Å; M258-H280 WeakPolarHBondContact O-CA 3.44Å |
| 281 | I | 89.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 114.8 | -173.7 | -54.4 | 172 | 0 | 0 | 0 | 108.5 | I157 S158 I159 I249 L254 M258 Y262 M279 V283 | I157-I281 HydrophobicContact CG2-CG2 3.96Å; S158-I281 CarbonylContact O-C 3.58Å; S158-I281 VanDerWaalsContact O-CA 3.31Å; S158-I281 WeakPolarHBondContact O-CA 3.44Å; I159-I281 HydrophobicContact CG1-CG2 4.35Å; I159-I281 HydrophobicContact CG2-CG1 4.32Å; I249-I281 HydrophobicContact CD1-CD1 3.69Å; L254-I281 HydrophobicContact CD1-CG2 4.2Å; L254-I281 HydrophobicContact CD2-CD1 4.07Å; L254-I281 HydrophobicContact CD2-CG2 3.99Å; M258-I281 PolarHBondContact N-O 3.34Å; M258-I281 PolarHBondContact O-N 3.43Å; Y262-I281 HydrophobicContact CE2-CD1 4.16Å; M279-I281 HydrophobicContact CB-CD1 4.34Å; M279-I281 HydrophobicContact CB-CG1 4.1Å; I281-V283 HydrophobicContact CG2-CG2 3.96Å |
| 282 | S | 86.6 | Confident | 80.3 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.5 | 170.9 | 172.5 | 0 | 0 | 0 | 0 | 110 | I157 S158 G256 | I157-S282 WeakPolarHBondContact CA-O 3.36Å; S158-S282 PolarHBondContact N-O 3.04Å; S158-S282 PolarHBondContact O-N 3.41Å; G256-S282 CarbonylContact O-C 3.6Å; G256-S282 WeakPolarHBondContact O-CA 3.49Å |
| 283 | V | 85.6 | Confident | 80.8 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 115.5 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | A155 K156 I157 L254 G256 I281 I285 | A155-V283 HydrophobicContact CB-CG1 3.72Å; K156-V283 WeakPolarHBondContact O-CA 3.32Å; I157-V283 HydrophobicContact CG1-CG1 4.47Å; I157-V283 HydrophobicContact CG1-CG2 4.34Å; I157-V283 HydrophobicContact CG2-CG2 4.19Å; L254-V283 HydrophobicContact CB-CB 4.45Å; L254-V283 HydrophobicContact CB-CG2 3.61Å; L254-V283 HydrophobicContact CD1-CG2 3.98Å; L254-V283 HydrophobicContact CG-CG2 4.33Å; G256-V283 PolarHBondContact O-N 3.27Å; I281-V283 HydrophobicContact CG2-CG2 3.96Å; V283-I285 HydrophobicContact CG1-CG1 3.85Å |
| 284 | E | 82.7 | Confident | 81.1 | Confident | 129 Ų | 129 | 52.9 Ų | 52.9 | 60% | 0.603 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 99.6 | 172.8 | -66.9 | 176.7 | -178 | 0 | 0 | 109 | A155 K156 | A155-E284 CarbonylContact C-O 3.52Å; A155-E284 WeakPolarHBondContact CA-O 3.11Å; K156-E284 HydrophobicContact CB-CB 4.44Å; K156-E284 PolarHBondContact N-O 2.64Å; K156-E284 PolarHBondContact O-N 2.97Å |
| 285 | I | 79.3 | Confident | 81.6 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.2 | 176.4 | -56.8 | 176 | 0 | 0 | 0 | 108.5 | W153 A155 V283 G287 E288 | W153-I285 HydrophobicContact CZ2-CD1 4.38Å; W153-I285 HydrophobicContact CZ2-CG1 4.3Å; A155-I285 HydrophobicContact CB-CG1 4Å; V283-I285 HydrophobicContact CG1-CG1 3.85Å; I285-G287 PolarHBondContact O-N 3.22Å; I285-E288 HydrophobicContact CB-CB 4.36Å; I285-E288 HydrophobicContact CG2-CG 4.41Å; I285-E288 PolarHBondContact O-N 2.97Å; I285-E288 VanDerWaalsContact O-N 3.13Å |
| 286 | K | 71.9 | Confident | 81.9 | Confident | 172 Ų | 172 | 55.3 Ų | 55.3 | 75% | 0.748 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 110.3 | -179.1 | -169.4 | 179.6 | -178.9 | -179.1 | 0 | 110.4 | S154 | S154-K286 WeakPolarHBondContact O-CB 3.36Å; S154-K286 PolarHBondContact O-N 3.06Å; S154-K286 WeakPolarHBondContact OG-CB 3.37Å |
| 287 | G | 65.8 | Low | 82.1 | Confident | 83 Ų | 83 | 55 Ų | 55 | 86% | 0.856 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.5 | -0.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I285 | I285-G287 PolarHBondContact O-N 3.22Š|
| 288 | E | 67.7 | Low | 82.3 | Confident | 72 Ų | 72 | 55 Ų | 55 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | trans | -107.6 | 125.7 | 166.4 | -64.7 | -171.8 | 164.9 | 0 | 0 | 108.3 | K18 I285 V291 | K18-E288 IonicContact NZ-OE1 3.31Å; K18-E288 PolarHBondContact NZ-OE1 2.8Å; K18-E288 IonicContact NZ-OE2 2.98Å; I285-E288 HydrophobicContact CB-CB 4.36Å; I285-E288 HydrophobicContact CG2-CG 4.41Å; I285-E288 PolarHBondContact O-N 2.97Å; I285-E288 VanDerWaalsContact O-N 3.13Å; E288-V291 HydrophobicContact CB-CG1 4.34Å | ||
| 289 | E | 59.9 | Low | 82.4 | Confident | 182 Ų | 182 | 51.1 Ų | 51.1 | 85% | 0.85 | 29% | 0.286 | S | S | * | . | trans | -68.5 | 161.7 | 168.9 | -70.9 | -178.8 | 169.5 | 0 | 0 | 109.9 | V291 | E289-V291 WeakPolarHBondContact O-CG1 3.31Å; E289-V291 PolarHBondContact O-N 2.8Å | ||
| 290 | T | 65.7 | Low | 82.5 | Confident | 154 Ų | 154 | 51.1 Ų | 51.1 | 95% | 0.945 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -42.1 | 100 | -172.3 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 291 | V | 76.9 | Confident | 82.7 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 148.8 | -177.5 | -78.4 | 0 | 0 | 0 | 0 | 110.9 | H14 S255 G256 E288 E289 | H14-V291 WeakPolarHBondContact CE1-CG1 3.5Å; S255-V291 WeakPolarHBondContact OG-CG2 3.47Å; G256-V291 WeakPolarHBondContact CA-O 3.43Å; E288-V291 HydrophobicContact CB-CG1 4.34Å; E289-V291 WeakPolarHBondContact O-CG1 3.31Å; E289-V291 PolarHBondContact O-N 2.8Å |
| 292 | A | 83.9 | Confident | 82.9 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 150.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L11 S255 V296 Q297 | L11-A292 HydrophobicContact CD1-CB 3.63Å; S255-A292 PolarHBondContact OG-O 3.28Å; A292-V296 HydrophobicContact CB-CB 4.37Å; A292-V296 HydrophobicContact CB-CG1 4.27Å; A292-Q297 PolarHBondContact O-NE2 2.65Å |
| 293 | P | 86.8 | Confident | 83.3 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 150.9 | 174.9 | -29.3 | 39 | 0 | 0 | 0 | 114.2 | S255 E257 M258 H295 V296 Q297 | S255-P293 WeakPolarHBondContact O-CA 3.23Å; E257-P293 WeakPolarHBondContact O-CG 3.23Å; M258-P293 HydrophobicContact CG-CB 4.13Å; M258-P293 HydrophobicContact CG-CG 4.33Å; P293-H295 VanDerWaalsContact C-N 3.26Å; P293-H295 PolarHBondContact O-N 3.22Å; P293-V296 HydrophobicContact CB-CG2 4.38Å; P293-V296 WeakPolarHBondContact O-CA 3.02Å; P293-V296 WeakPolarHBondContact O-CB 3.37Å; P293-V296 PolarHBondContact O-N 3.47Å; P293-Q297 WeakPolarHBondContact O-CG 3.18Å; P293-Q297 PolarHBondContact O-N 3.36Å |
| 294 | Y | 88.1 | Confident | 83.6 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -28.3 | -179 | -72.4 | -63.5 | 0 | 0 | 0 | 114.3 | R252 T253 S255 Q297 Y298 F344 Y348 | R252-Y294 WeakPolarHBondContact O-CE2 3.17Å; T253-Y294 WeakPolarHBondContact O-CD2 3.31Å; S255-Y294 VanDerWaalsContact CB-CE2 3.46Å; Y294-Q297 PolarHBondContact O-N 3.32Å; Y294-Y298 WeakPolarHBondContact O-CB 3.47Å; Y294-Y298 PolarHBondContact O-N 3.2Å; Y294-F344 HydrophobicContact CD1-CZ 4.44Å; Y294-Y348 AromaticContact CD1-CD1 3.82Å; Y294-Y348 HydrophobicContact CD1-CD1 3.82Å; Y294-Y348 HydrophobicContact CD1-CD2 4.03Å; Y294-Y348 HydrophobicContact CD1-CE1 4.46Å; Y294-Y348 AromaticContact CD1-CG 3.57Å; Y294-Y348 HydrophobicContact CD1-CG 3.57Å; Y294-Y348 HydrophobicContact CD2-CD1 4.36Å; Y294-Y348 HydrophobicContact CD2-CG 4.44Å; Y294-Y348 AromaticContact CE1-CD1 3.3Å; Y294-Y348 HydrophobicContact CE1-CD1 3.3Å; Y294-Y348 HydrophobicContact CE1-CD2 4.07Å; Y294-Y348 AromaticContact CE1-CE1 3.62Å; Y294-Y348 HydrophobicContact CE1-CE1 3.62Å; Y294-Y348 HydrophobicContact CE1-CE2 4.32Å; Y294-Y348 AromaticContact CE1-CG 3.56Å; Y294-Y348 HydrophobicContact CE1-CG 3.56Å; Y294-Y348 AromaticContact CE2-CD1 3.89Å; Y294-Y348 HydrophobicContact CE2-CD1 3.89Å; Y294-Y348 HydrophobicContact CE2-CG 4.41Å; Y294-Y348 HydrophobicContact CG-CD1 4.33Å; Y294-Y348 HydrophobicContact CG-CG 4.05Å; Y294-Y348 AromaticContact CZ-CD1 3.34Å; Y294-Y348 AromaticContact CZ-CE1 3.72Å; Y294-Y348 AromaticContact CZ-CG 4Å |
| 295 | H | 88.9 | Confident | 84.2 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 170.8 | -67.2 | 87.1 | 0 | 0 | 0 | 112.2 | P293 T299 E351 Y354 | P293-H295 VanDerWaalsContact C-N 3.26Å; P293-H295 PolarHBondContact O-N 3.22Å; H295-T299 PolarHBondContact O-N 3.38Å; H295-T299 PolarHBondContact O-OG1 3.41Å; H295-E351 IonicContact CD2-OE2 3.08Å; H295-E351 IonicContact CE1-OE2 2.79Å; H295-E351 IonicContact NE2-OE1 3.95Å; H295-E351 IonicContact NE2-OE2 3.23Å; H295-E351 PolarHBondContact NE2-OE2 3Å; H295-Y354 HydrophobicContact CB-CE1 4.15Å; H295-Y354 HydrophobicContact CB-CE2 3.97Å; H295-Y354 AromaticContact CD2-CD2 3.6Å; H295-Y354 AromaticContact CD2-CE2 3.65Å; H295-Y354 AromaticContact CD2-CG 3.86Å; H295-Y354 WeakPolarHBondContact O-CE1 3.43Å; H295-Y354 PolarHBondContact O-OH 2.83Å; H295-Y354 VanDerWaalsContact O-OH 3.13Å |
| 296 | V | 89.4 | Confident | 84.9 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.4 | -41.2 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | L11 A292 P293 T299 C300 | L11-V296 HydrophobicContact CD2-CG1 3.95Å; A292-V296 HydrophobicContact CB-CB 4.37Å; A292-V296 HydrophobicContact CB-CG1 4.27Å; P293-V296 HydrophobicContact CB-CG2 4.38Å; P293-V296 WeakPolarHBondContact O-CA 3.02Å; P293-V296 WeakPolarHBondContact O-CB 3.37Å; P293-V296 PolarHBondContact O-N 3.47Å; V296-T299 PolarHBondContact O-N 3.03Å; V296-C300 PolarHBondContact O-N 3.48Å |
| 297 | Q | 91.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 175 | -65.7 | -172.7 | 33.3 | 0 | 0 | 112.3 | L11 H14 V15 A292 P293 Y294 C300 L301 F344 | L11-Q297 HydrophobicContact CD1-CG 4.26Å; H14-Q297 PolarHBondContact NE2-NE2 2.86Å; V15-Q297 WeakPolarHBondContact CG1-O 3.42Å; V15-Q297 HydrophobicContact CG2-CB 3.74Å; V15-Q297 HydrophobicContact CG2-CG 3.88Å; A292-Q297 PolarHBondContact O-NE2 2.65Å; P293-Q297 WeakPolarHBondContact O-CG 3.18Å; P293-Q297 PolarHBondContact O-N 3.36Å; Y294-Q297 PolarHBondContact O-N 3.32Å; Q297-C300 WeakPolarHBondContact O-CB 3.49Å; Q297-C300 PolarHBondContact O-N 3.38Å; Q297-L301 PolarHBondContact O-N 2.9Å; Q297-F344 HydrophobicContact CB-CE1 4.37Å; Q297-F344 HydrophobicContact CB-CZ 3.93Å |
| 298 | Y | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 175.7 | 179.1 | -85.6 | 0 | 0 | 0 | 111.2 | Y294 C300 L301 H302 V341 F344 A345 V350 Y354 Q355 T358 | Y294-Y298 WeakPolarHBondContact O-CB 3.47Å; Y294-Y298 PolarHBondContact O-N 3.2Å; Y298-C300 PolarHBondContact O-N 3.41Å; Y298-L301 PolarHBondContact O-N 3.02Å; Y298-H302 HydrophobicContact CD1-CB 4.44Å; Y298-H302 HydrophobicContact CE1-CB 4.01Å; Y298-H302 AromaticContact CE1-ND1 3.69Å; Y298-H302 AromaticContact CZ-ND1 3.59Å; Y298-H302 WeakPolarHBondContact O-CB 3.4Å; Y298-H302 PolarHBondContact O-N 2.97Å; Y298-H302 PolarHBondContact OH-ND1 2.61Å; Y298-V341 HydrophobicContact CE2-CB 4Å; Y298-F344 AromaticContact CD2-CD1 3.94Å; Y298-F344 HydrophobicContact CD2-CD1 3.94Å; Y298-A345 HydrophobicContact CD2-CB 4.22Å; Y298-A345 HydrophobicContact CE2-CB 3.92Å; Y298-V350 HydrophobicContact CD1-CG1 4.23Å; Y298-V350 HydrophobicContact CD2-CG1 4.3Å; Y298-V350 HydrophobicContact CG-CG1 4.01Å; Y298-V350 HydrophobicContact CG-CG2 4.42Å; Y298-Y354 HydrophobicContact CD1-CD1 4.09Å; Y298-Y354 HydrophobicContact CD1-CE1 4.12Å; Y298-Q355 HydrophobicContact CE1-CB 4.12Å; Y298-Q355 HydrophobicContact CE1-CG 3.92Å; Y298-Q355 HydrophobicContact CE2-CG 3.99Å; Y298-Q355 VanDerWaalsContact CZ-CG 3.47Å; Y298-Q355 VanDerWaalsContact OH-CB 3.27Å; Y298-Q355 WeakPolarHBondContact OH-CB 3.39Å; Y298-Q355 VanDerWaalsContact OH-CG 3.26Å; Y298-Q355 WeakPolarHBondContact OH-CG 3.25Å; Y298-Q355 PolarHBondContact OH-OE1 3.06Å; Y298-T358 HydrophobicContact CE1-CG2 4.4Å |
| 299 | T | 93.2 | Very high | 88.2 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55 | -44 | 174.2 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | T5 H295 V296 H302 E303 Y354 T358 | T5-T299 HydrophobicContact CG2-CG2 4.24Å; H295-T299 PolarHBondContact O-N 3.38Å; H295-T299 PolarHBondContact O-OG1 3.41Å; V296-T299 PolarHBondContact O-N 3.03Å; T299-H302 PolarHBondContact O-N 3.49Å; T299-E303 HydrophobicContact CG2-CG 4.29Å; T299-E303 WeakPolarHBondContact O-CB 3.31Å; T299-E303 VanDerWaalsContact O-CG 3.29Å; T299-E303 WeakPolarHBondContact O-CG 3.47Å; T299-E303 PolarHBondContact O-N 2.84Å; T299-Y354 PolarHBondContact OG1-OH 2.95Å; T299-T358 HydrophobicContact CG2-CG2 4.25Å |
| 300 | C | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.6 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | T5 L11 V15 V296 Q297 Y298 H304 | T5-C300 HydrophobicContact CG2-CB 4.13Å; T5-C300 WeakPolarHBondContact OG1-CA 3.37Å; T5-C300 WeakPolarHBondContact OG1-CB 3.35Å; L11-C300 HydrophobicContact CD2-CB 4.14Å; L11-C300 HydrophobicContact CG-CB 4.37Å; V15-C300 HydrophobicContact CG2-CB 4Å; V296-C300 PolarHBondContact O-N 3.48Å; Q297-C300 WeakPolarHBondContact O-CB 3.49Å; Q297-C300 PolarHBondContact O-N 3.38Å; Y298-C300 PolarHBondContact O-N 3.41Å; C300-H304 PolarHBondContact O-N 3.22Å; C300-H304 VanDerWaalsContact O-N 3.09Å; C300-H304 PolarHBondContact O-ND1 3.18Å; C300-H304 VanDerWaalsContact SG-CE1 3.52Å |
| 301 | L | 95.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 175.1 | 175.1 | 61.1 | 0 | 0 | 0 | 111.5 | V15 T19 F128 Q297 Y298 H304 L305 I340 F344 | V15-L301 HydrophobicContact CG1-CB 3.84Å; T19-L301 HydrophobicContact CG2-CD1 3.92Å; T19-L301 HydrophobicContact CG2-CD2 4.09Å; F128-L301 HydrophobicContact CE2-CD1 3.82Å; F128-L301 HydrophobicContact CZ-CD1 3.92Å; Q297-L301 PolarHBondContact O-N 2.9Å; Y298-L301 PolarHBondContact O-N 3.02Å; L301-H304 PolarHBondContact O-N 2.91Å; L301-L305 HydrophobicContact CD1-CD1 3.86Å; L301-L305 HydrophobicContact CD1-CG 4.28Å; L301-L305 HydrophobicContact CG-CD1 3.99Å; L301-L305 WeakPolarHBondContact O-CB 3.38Å; L301-L305 PolarHBondContact O-N 3.49Å; L301-I340 HydrophobicContact CD1-CG2 4.06Å; L301-I340 HydrophobicContact CD2-CG2 4.13Å; L301-F344 HydrophobicContact CD2-CB 3.75Å; L301-F344 HydrophobicContact CD2-CD1 4.22Å; L301-F344 HydrophobicContact CD2-CD2 3.62Å; L301-F344 HydrophobicContact CD2-CE2 4.28Å; L301-F344 HydrophobicContact CD2-CG 3.59Å |
| 302 | H | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | -176.9 | -159.1 | 110.1 | 0 | 0 | 0 | 111.7 | Y298 T299 F306 Y332 F333 T358 H359 | Y298-H302 HydrophobicContact CD1-CB 4.44Å; Y298-H302 HydrophobicContact CE1-CB 4.01Å; Y298-H302 AromaticContact CE1-ND1 3.69Å; Y298-H302 AromaticContact CZ-ND1 3.59Å; Y298-H302 WeakPolarHBondContact O-CB 3.4Å; Y298-H302 PolarHBondContact O-N 2.97Å; Y298-H302 PolarHBondContact OH-ND1 2.61Å; T299-H302 PolarHBondContact O-N 3.49Å; H302-F306 VanDerWaalsContact O-CB 3.27Å; H302-F306 WeakPolarHBondContact O-CB 3.36Å; H302-F306 PolarHBondContact O-N 2.61Å; H302-Y332 AromaticContact CE1-CD2 3.91Å; H302-F333 AromaticContact CE1-CE2 3.63Å; H302-F333 AromaticContact NE2-CE2 3.75Å; H302-F333 AromaticContact NE2-CZ 3.67Å; H302-T358 HydrophobicContact CB-CG2 3.97Å; H302-H359 AromaticContact CE1-ND1 3.75Å; H302-H359 WeakPolarHBondContact NE2-CB 3.29Å; H302-H359 AromaticContact NE2-CG 3.57Å; H302-H359 AromaticContact NE2-ND1 2.97Å; H302-H359 PolarHBondContact NE2-ND1 3.36Å |
| 303 | E | 93.6 | Very high | 91.2 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 12% | 0.121 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.2 | -77.8 | 178.2 | 176 | 0 | 0 | 111.7 | T5 L6 T299 F306 Q307 | T5-E303 WeakPolarHBondContact CB-OE2 3.33Å; T5-E303 PolarHBondContact N-OE2 3.13Å; T5-E303 PolarHBondContact OG1-OE2 3.28Å; L6-E303 HydrophobicContact CD2-CB 4.4Å; T299-E303 HydrophobicContact CG2-CG 4.29Å; T299-E303 WeakPolarHBondContact O-CB 3.31Å; T299-E303 VanDerWaalsContact O-CG 3.29Å; T299-E303 WeakPolarHBondContact O-CG 3.47Å; T299-E303 PolarHBondContact O-N 2.84Å; E303-F306 PolarHBondContact O-N 3.29Å; E303-Q307 WeakPolarHBondContact O-CB 3.38Å; E303-Q307 PolarHBondContact O-N 3.24Å |
| 304 | H | 93.4 | Very high | 91.2 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.1 | -40.7 | 178.9 | -74.9 | 83.3 | 0 | 0 | 0 | 112.3 | K12 V127 C300 L301 F306 Q307 Y308 | K12-H304 WeakPolarHBondContact CD-NE2 3.3Å; V127-H304 HydrophobicContact CG1-CB 3.75Å; C300-H304 PolarHBondContact O-N 3.22Å; C300-H304 VanDerWaalsContact O-N 3.09Å; C300-H304 PolarHBondContact O-ND1 3.18Å; C300-H304 VanDerWaalsContact SG-CE1 3.52Å; L301-H304 PolarHBondContact O-N 2.91Å; H304-F306 VanDerWaalsContact C-N 3.34Å; H304-Q307 PolarHBondContact O-N 3.49Å; H304-Y308 WeakPolarHBondContact O-CB 3.44Å; H304-Y308 PolarHBondContact O-N 2.83Å |
| 305 | L | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 173.9 | -85.2 | 167.8 | 0 | 0 | 0 | 111.2 | V127 L301 T309 F333 A337 I340 V341 | V127-L305 HydrophobicContact CG1-CD2 4.24Å; V127-L305 HydrophobicContact CG1-CG 4.2Å; V127-L305 HydrophobicContact CG2-CD2 3.62Å; V127-L305 HydrophobicContact CG2-CG 4.44Å; L301-L305 HydrophobicContact CD1-CD1 3.86Å; L301-L305 HydrophobicContact CD1-CG 4.28Å; L301-L305 HydrophobicContact CG-CD1 3.99Å; L301-L305 WeakPolarHBondContact O-CB 3.38Å; L301-L305 PolarHBondContact O-N 3.49Å; L305-T309 WeakPolarHBondContact O-CB 2.9Å; L305-T309 VanDerWaalsContact O-CG2 3.27Å; L305-T309 WeakPolarHBondContact O-CG2 3.06Å; L305-T309 PolarHBondContact O-N 3.41Å; L305-T309 PolarHBondContact O-OG1 3.11Å; L305-F333 HydrophobicContact CB-CZ 4.14Å; L305-A337 HydrophobicContact CD2-CB 4.3Å; L305-I340 HydrophobicContact CD1-CB 4.33Å; L305-I340 HydrophobicContact CD1-CG2 3.96Å; L305-I340 HydrophobicContact CD2-CD1 4.23Å; L305-V341 HydrophobicContact CD1-CG1 3.51Å |
| 306 | F | 93.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 177 | -173.4 | -96.2 | 0 | 0 | 0 | 111.5 | H302 E303 H304 T309 T310 V318 F333 C362 L363 K366 | H302-F306 VanDerWaalsContact O-CB 3.27Å; H302-F306 WeakPolarHBondContact O-CB 3.36Å; H302-F306 PolarHBondContact O-N 2.61Å; E303-F306 PolarHBondContact O-N 3.29Å; H304-F306 VanDerWaalsContact C-N 3.34Å; F306-T309 PolarHBondContact O-OG1 3.16Å; F306-T310 HydrophobicContact CD1-CG2 4.22Å; F306-T310 HydrophobicContact CD2-CG2 4.24Å; F306-T310 HydrophobicContact CE1-CG2 3.97Å; F306-T310 HydrophobicContact CE2-CG2 3.98Å; F306-T310 HydrophobicContact CG-CG2 4.36Å; F306-T310 HydrophobicContact CZ-CG2 3.84Å; F306-T310 VanDerWaalsContact O-CB 3.3Å; F306-T310 WeakPolarHBondContact O-CB 3.47Å; F306-T310 WeakPolarHBondContact O-CG2 3.39Å; F306-T310 PolarHBondContact O-N 3.28Å; F306-T310 PolarHBondContact O-OG1 3.26Å; F306-V318 HydrophobicContact CE2-CG1 4.22Å; F306-V318 HydrophobicContact CZ-CG1 4.4Å; F306-V318 HydrophobicContact CZ-CG2 4.15Å; F306-F333 HydrophobicContact CB-CE1 4.29Å; F306-F333 HydrophobicContact CB-CZ 4.29Å; F306-F333 HydrophobicContact CD2-CE1 4.2Å; F306-C362 HydrophobicContact CB-CB 4.2Å; F306-C362 HydrophobicContact CD1-CB 3.73Å; F306-C362 HydrophobicContact CD2-CB 3.94Å; F306-C362 HydrophobicContact CE1-CB 4.02Å; F306-C362 WeakPolarHBondContact CE1-O 3.42Å; F306-C362 HydrophobicContact CE2-CB 4.23Å; F306-C362 HydrophobicContact CG-CB 3.68Å; F306-C362 HydrophobicContact CZ-CB 4.26Å; F306-L363 HydrophobicContact CE2-CD2 3.77Å; F306-L363 HydrophobicContact CE2-CG 4.47Å; F306-L363 HydrophobicContact CZ-CD2 4.06Å; F306-K366 HydrophobicContact CE1-CG 3.99Å; F306-K366 HydrophobicContact CZ-CB 4.42Å; F306-K366 HydrophobicContact CZ-CG 4.25Å |
| 307 | Q | 91.6 | Very high | 90.8 | Very high | 80 Ų | 80 | 34 Ų | 34 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 178.1 | -175.6 | 177.5 | -6.9 | 0 | 0 | 112 | E303 H304 T310 E311 | E303-Q307 WeakPolarHBondContact O-CB 3.38Å; E303-Q307 PolarHBondContact O-N 3.24Å; H304-Q307 PolarHBondContact O-N 3.49Å; Q307-T310 PolarHBondContact O-N 3.19Å; Q307-T310 PolarHBondContact O-OG1 3.48Å; Q307-E311 HydrophobicContact CG-CG 4.03Å; Q307-E311 WeakPolarHBondContact O-CB 3.28Å; Q307-E311 PolarHBondContact O-N 3.31Å |
| 308 | Y | 91.8 | Very high | 90.7 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 12% | 0.122 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -63.7 | -46.8 | -179.8 | 177.7 | -103 | 0 | 0 | 0 | 112 | L123 E126 V127 H304 T310 D312 Q313 | L123-Y308 HydrophobicContact CD1-CD1 3.88Å; L123-Y308 HydrophobicContact CD1-CE1 3.49Å; L123-Y308 VanDerWaalsContact CD1-CE1 3.49Å; E126-Y308 HydrophobicContact CB-CE1 4.17Å; E126-Y308 HydrophobicContact CB-CE2 3.89Å; E126-Y308 WeakPolarHBondContact CB-OH 3.33Å; E126-Y308 PolarHBondContact OE2-OH 2.86Å; V127-Y308 HydrophobicContact CB-CD1 4.49Å; V127-Y308 HydrophobicContact CB-CG 4.37Å; V127-Y308 HydrophobicContact CG2-CD1 3.45Å; V127-Y308 VanDerWaalsContact CG2-CD1 3.45Å; V127-Y308 HydrophobicContact CG2-CE1 4.12Å; V127-Y308 HydrophobicContact CG2-CG 3.75Å; H304-Y308 WeakPolarHBondContact O-CB 3.44Å; H304-Y308 PolarHBondContact O-N 2.83Å; Y308-T310 VanDerWaalsContact C-N 3.29Å; Y308-T310 PolarHBondContact O-N 3.4Å; Y308-D312 HydrophobicContact CD2-CB 3.73Å; Y308-D312 VanDerWaalsContact CD2-OD2 3.32Å; Y308-D312 WeakPolarHBondContact CD2-OD2 3.27Å; Y308-D312 HydrophobicContact CE2-CB 3.9Å; Y308-D312 HydrophobicContact CG-CB 4.5Å; Y308-D312 WeakPolarHBondContact O-CB 3.46Å; Y308-D312 PolarHBondContact O-N 2.93Å; Y308-D312 VanDerWaalsContact O-N 3.16Å; Y308-Q313 HydrophobicContact CD1-CG 4.08Å; Y308-Q313 VanDerWaalsContact CE1-CD 3.49Å; Y308-Q313 HydrophobicContact CE1-CG 3.62Å; Y308-Q313 PolarHBondContact O-N 3.42Å |
| 309 | T | 91.1 | Very high | 90.4 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -66.7 | -30 | 179.2 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | L305 F306 N314 F333 | L305-T309 WeakPolarHBondContact O-CB 2.9Å; L305-T309 VanDerWaalsContact O-CG2 3.27Å; L305-T309 WeakPolarHBondContact O-CG2 3.06Å; L305-T309 PolarHBondContact O-N 3.41Å; L305-T309 PolarHBondContact O-OG1 3.11Å; F306-T309 PolarHBondContact O-OG1 3.16Å; T309-N314 WeakPolarHBondContact O-CB 3.49Å; T309-N314 PolarHBondContact O-ND2 2.88Å; T309-F333 HydrophobicContact CG2-CD1 4.49Å |
| 310 | T | 89.3 | Confident | 90.1 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -88.4 | -54.3 | -179.2 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | F306 Q307 Y308 N314 G315 G316 V318 | F306-T310 HydrophobicContact CD1-CG2 4.22Å; F306-T310 HydrophobicContact CD2-CG2 4.24Å; F306-T310 HydrophobicContact CE1-CG2 3.97Å; F306-T310 HydrophobicContact CE2-CG2 3.98Å; F306-T310 HydrophobicContact CG-CG2 4.36Å; F306-T310 HydrophobicContact CZ-CG2 3.84Å; F306-T310 VanDerWaalsContact O-CB 3.3Å; F306-T310 WeakPolarHBondContact O-CB 3.47Å; F306-T310 WeakPolarHBondContact O-CG2 3.39Å; F306-T310 PolarHBondContact O-N 3.28Å; F306-T310 PolarHBondContact O-OG1 3.26Å; Q307-T310 PolarHBondContact O-N 3.19Å; Q307-T310 PolarHBondContact O-OG1 3.48Å; Y308-T310 VanDerWaalsContact C-N 3.29Å; Y308-T310 PolarHBondContact O-N 3.4Å; T310-N314 CarbonylContact O-C 3.25Å; T310-G315 PolarHBondContact O-N 3.24Å; T310-G316 VanDerWaalsContact O-CA 3.32Å; T310-G316 WeakPolarHBondContact O-CA 3.46Å; T310-G316 PolarHBondContact O-N 3.03Å; T310-V318 HydrophobicContact CG2-CB 4.38Å; T310-V318 HydrophobicContact CG2-CG1 4.42Å; T310-V318 HydrophobicContact CG2-CG2 3.92Å |
| 311 | E | 88.3 | Confident | 89.8 | Confident | 78 Ų | 78 | 44.4 Ų | 44.4 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -80 | -53 | -174.3 | -55.9 | -69 | -170.8 | 0 | 0 | 111.8 | Q307 G315 K366 | Q307-E311 HydrophobicContact CG-CG 4.03Å; Q307-E311 WeakPolarHBondContact O-CB 3.28Å; Q307-E311 PolarHBondContact O-N 3.31Å; E311-G315 WeakPolarHBondContact O-CA 3.22Å; E311-G315 PolarHBondContact O-N 3.42Å; E311-K366 WeakPolarHBondContact OE1-CE 3.27Å; E311-K366 IonicContact OE1-NZ 3.99Å; E311-K366 PolarHBondContact OE1-NZ 3.21Å; E311-K366 IonicContact OE2-NZ 3.9Å |
| 312 | D | 85.9 | Confident | 88.9 | Confident | 115 Ų | 115 | 54 Ų | 54 | 62% | 0.615 | 29% | 0.29 | S | S | * | . | I | π-helix | trans | -81.8 | -41.5 | -169 | -61.6 | -32.5 | 0 | 0 | 0 | 112.1 | Y308 | Y308-D312 HydrophobicContact CD2-CB 3.73Å; Y308-D312 VanDerWaalsContact CD2-OD2 3.32Å; Y308-D312 WeakPolarHBondContact CD2-OD2 3.27Å; Y308-D312 HydrophobicContact CE2-CB 3.9Å; Y308-D312 HydrophobicContact CG-CB 4.5Å; Y308-D312 WeakPolarHBondContact O-CB 3.46Å; Y308-D312 PolarHBondContact O-N 2.93Å; Y308-D312 VanDerWaalsContact O-N 3.16Å |
| 313 | Q | 86.2 | Confident | 87.9 | Confident | 96 Ų | 96 | 55.7 Ų | 55.7 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -40 | -178.8 | -67.6 | -166.9 | -33.5 | 0 | 0 | 113.9 | Y308 | Y308-Q313 HydrophobicContact CD1-CG 4.08Å; Y308-Q313 VanDerWaalsContact CE1-CD 3.49Å; Y308-Q313 HydrophobicContact CE1-CG 3.62Å; Y308-Q313 PolarHBondContact O-N 3.42Å |
| 314 | N | 86.9 | Confident | 86.9 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 13.8 | -170.2 | -69.8 | -58.4 | 0 | 0 | 0 | 113.8 | T309 T310 G316 V317 | T309-N314 WeakPolarHBondContact O-CB 3.49Å; T309-N314 PolarHBondContact O-ND2 2.88Å; T310-N314 CarbonylContact O-C 3.25Å; N314-G316 VanDerWaalsContact C-N 3.25Å; N314-G316 PolarHBondContact O-N 2.81Å; N314-V317 HydrophobicContact CB-CB 4.47Å; N314-V317 WeakPolarHBondContact CB-O 3.31Å; N314-V317 PolarHBondContact O-N 2.89Å; N314-V317 VanDerWaalsContact O-N 3.13Å |
| 315 | G | 85.7 | Confident | 86.1 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 72% | 0.722 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 32 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T310 E311 | T310-G315 PolarHBondContact O-N 3.24Å; E311-G315 WeakPolarHBondContact O-CA 3.22Å; E311-G315 PolarHBondContact O-N 3.42Å |
| 316 | G | 84.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 74 Ų | 74 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -1.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T310 N314 | T310-G316 VanDerWaalsContact O-CA 3.32Å; T310-G316 WeakPolarHBondContact O-CA 3.46Å; T310-G316 PolarHBondContact O-N 3.03Å; N314-G316 VanDerWaalsContact C-N 3.25Å; N314-G316 PolarHBondContact O-N 2.81Å |
| 317 | V | 87.5 | Confident | 84.5 | Confident | 86 Ų | 86 | 78 Ų | 78 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | trans | -88.8 | 132.7 | 176.2 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | N314 K319 | N314-V317 HydrophobicContact CB-CB 4.47Å; N314-V317 WeakPolarHBondContact CB-O 3.31Å; N314-V317 PolarHBondContact O-N 2.89Å; N314-V317 VanDerWaalsContact O-N 3.13Å; V317-K319 PolarHBondContact O-N 3.43Å | ||
| 318 | V | 90.4 | Very high | 84.1 | Confident | 11 Ų | 11 | 75.7 Ų | 75.7 | 7% | 0.067 | 42% | 0.423 | C | S | . | . | trans | -81.7 | 113.2 | 173.5 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | F306 T310 I320 L363 K366 C369 V372 | F306-V318 HydrophobicContact CE2-CG1 4.22Å; F306-V318 HydrophobicContact CZ-CG1 4.4Å; F306-V318 HydrophobicContact CZ-CG2 4.15Å; T310-V318 HydrophobicContact CG2-CB 4.38Å; T310-V318 HydrophobicContact CG2-CG1 4.42Å; T310-V318 HydrophobicContact CG2-CG2 3.92Å; V318-I320 PolarHBondContact O-N 3.47Å; V318-L363 HydrophobicContact CG1-CD2 3.99Å; V318-K366 HydrophobicContact CG2-CB 3.59Å; V318-K366 HydrophobicContact CG2-CG 4.04Å; V318-C369 HydrophobicContact CB-CB 4.47Å; V318-C369 HydrophobicContact CG2-CB 4.11Å; V318-V372 HydrophobicContact CB-CG2 3.67Å; V318-V372 HydrophobicContact CG1-CG2 3.97Å; V318-V372 HydrophobicContact CG2-CG2 3.93Å | ||
| 319 | K | 87.9 | Confident | 83.9 | Confident | 112 Ų | 112 | 75.9 Ų | 75.9 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 122.2 | 173.4 | -171.4 | -179.3 | 177.8 | -168.8 | 0 | 109.8 | V317 D334 | V317-K319 PolarHBondContact O-N 3.43Å; K319-D334 VanDerWaalsContact NZ-CG 3.33Å; K319-D334 IonicContact NZ-OD1 2.99Å; K319-D334 PolarHBondContact NZ-OD1 2.86Å; K319-D334 IonicContact NZ-OD2 3.62Å; K319-D334 PolarHBondContact NZ-OD2 3.19Å |
| 320 | I | 86.1 | Confident | 83.8 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 35% | 0.354 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 125.4 | 179.8 | -60.9 | 170.3 | 0 | 0 | 0 | 109.1 | V318 G371 V375 | V318-I320 PolarHBondContact O-N 3.47Å; I320-G371 VanDerWaalsContact CD1-C 3.42Å; I320-V375 HydrophobicContact CB-CG2 4.49Å; I320-V375 HydrophobicContact CD1-CG2 3.96Å; I320-V375 HydrophobicContact CG1-CG2 4.12Å; I320-V375 HydrophobicContact CG2-CG2 3.57Å |
| 321 | P | 86.6 | Confident | 83.9 | Confident | 29 Ų | 29 | 81.2 Ų | 81.2 | 19% | 0.188 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 143.1 | -179.9 | 27.1 | -33.5 | 0 | 0 | 0 | 112.3 | A323 V331 | P321-A323 VanDerWaalsContact C-N 3.3Å; P321-A323 PolarHBondContact O-N 3.24Å; P321-V331 HydrophobicContact CB-CG1 4.06Å; P321-V331 HydrophobicContact CG-CG1 4.39Å |
| 322 | E | 76.4 | Confident | 84 | Confident | 203 Ų | 203 | 77.8 Ų | 77.8 | 95% | 0.949 | 43% | 0.434 | S | S | * | . | trans | -82 | 67.3 | 177.4 | -65.6 | -168.5 | 172.2 | 0 | 0 | 112 | ||||
| 323 | A | 74.3 | Confident | 84.3 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 29% | 0.289 | 41% | 0.408 | S | S | . | . | trans | -103.2 | 134.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | P321 A328 V331 | P321-A323 VanDerWaalsContact C-N 3.3Å; P321-A323 PolarHBondContact O-N 3.24Å; A323-A328 HydrophobicContact CB-CB 3.88Å; A323-V331 HydrophobicContact CB-CB 3.82Å; A323-V331 HydrophobicContact CB-CG1 4.19Å; A323-V331 HydrophobicContact CB-CG2 4Å | ||
| 324 | K | 72.7 | Confident | 84.4 | Confident | 209 Ų | 209 | 72.2 Ų | 72.2 | 91% | 0.909 | 41% | 0.406 | S | S | * | . | trans | -128.1 | 143 | 177.3 | -65.3 | -176.7 | -178.3 | 175.8 | 0 | 110.7 | ||||
| 325 | G | 76.8 | Confident | 84.5 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 61% | 0.608 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 109.2 | -177.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D327 A328 | G325-D327 PolarHBondContact O-N 3.46Å; G325-A328 VanDerWaalsContact O-CB 3.26Å; G325-A328 WeakPolarHBondContact O-CB 3.47Å; G325-A328 PolarHBondContact O-N 3.06Å; G325-A328 VanDerWaalsContact O-N 3.09Å |
| 326 | D | 74.3 | Confident | 84.7 | Confident | 156 Ų | 156 | 75 Ų | 75 | 83% | 0.834 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22.1 | -172.3 | -65.3 | -21.8 | 0 | 0 | 0 | 113.9 | W329 | D326-W329 PolarHBondContact O-NE1 2.67Š|
| 327 | D | 80.8 | Confident | 85.1 | Confident | 97 Ų | 97 | 74.6 Ų | 74.6 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 6.6 | 178.5 | -73.5 | -45.5 | 0 | 0 | 0 | 113.8 | G325 W329 K330 | G325-D327 PolarHBondContact O-N 3.46Å; D327-W329 PolarHBondContact O-N 2.82Å; D327-W329 VanDerWaalsContact O-N 3.14Å; D327-K330 HydrophobicContact CB-CD 4.35Å; D327-K330 WeakPolarHBondContact O-CB 3.07Å; D327-K330 PolarHBondContact O-N 3.29Å; D327-K330 WeakPolarHBondContact OD1-CE 3.29Å; D327-K330 IonicContact OD1-NZ 2.63Å; D327-K330 PolarHBondContact OD1-NZ 3.39Å |
| 328 | A | 83 | Confident | 85.4 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -58.2 | -31.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A323 G325 K330 V331 | A323-A328 HydrophobicContact CB-CB 3.88Å; G325-A328 VanDerWaalsContact O-CB 3.26Å; G325-A328 WeakPolarHBondContact O-CB 3.47Å; G325-A328 PolarHBondContact O-N 3.06Å; G325-A328 VanDerWaalsContact O-N 3.09Å; A328-K330 PolarHBondContact O-N 3.01Å; A328-V331 PolarHBondContact O-N 3.48Å |
| 329 | W | 86.4 | Confident | 85.5 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 14% | 0.136 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -72.4 | -5 | 178.4 | 70.4 | -81.8 | 0 | 0 | 0 | 114.4 | D326 D327 Y332 I353 A356 L379 N382 | D326-W329 PolarHBondContact O-NE1 2.67Å; D327-W329 PolarHBondContact O-N 2.82Å; D327-W329 VanDerWaalsContact O-N 3.14Å; W329-Y332 VanDerWaalsContact O-CE1 3.28Å; W329-Y332 WeakPolarHBondContact O-CE1 3.44Å; W329-I353 HydrophobicContact CZ3-CD1 4.48Å; W329-A356 HydrophobicContact CE3-CB 3.77Å; W329-A356 HydrophobicContact CZ3-CB 3.52Å; W329-L379 HydrophobicContact CB-CD1 4.07Å; W329-L379 HydrophobicContact CE3-CD1 4.05Å; W329-N382 HydrophobicContact CB-CB 4.14Å; W329-N382 HydrophobicContact CD2-CB 3.68Å; W329-N382 HydrophobicContact CE3-CB 4.07Å; W329-N382 HydrophobicContact CG-CB 3.7Å |
| 330 | K | 89 | Confident | 85.8 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -94.8 | -4.4 | 173.5 | -61.1 | 175.7 | -179.1 | 162.9 | 0 | 112.7 | D327 A328 Y332 Q338 | D327-K330 HydrophobicContact CB-CD 4.35Å; D327-K330 WeakPolarHBondContact O-CB 3.07Å; D327-K330 PolarHBondContact O-N 3.29Å; D327-K330 WeakPolarHBondContact OD1-CE 3.29Å; D327-K330 IonicContact OD1-NZ 2.63Å; D327-K330 PolarHBondContact OD1-NZ 3.39Å; A328-K330 PolarHBondContact O-N 3.01Å; K330-Y332 WeakPolarHBondContact O-CE2 3.41Å; K330-Q338 PolarHBondContact O-NE2 3.34Å; K330-Q338 VanDerWaalsContact O-NE2 3.13Å |
| 331 | V | 91.4 | Very high | 86.2 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | trans | -103.7 | 118.8 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | P321 A323 A328 | P321-V331 HydrophobicContact CB-CG1 4.06Å; P321-V331 HydrophobicContact CG-CG1 4.39Å; A323-V331 HydrophobicContact CB-CB 3.82Å; A323-V331 HydrophobicContact CB-CG1 4.19Å; A323-V331 HydrophobicContact CB-CG2 4Å; A328-V331 PolarHBondContact O-N 3.48Å | ||
| 332 | Y | 91.7 | Very high | 86.4 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | trans | -111.7 | -33.1 | -171.4 | -50.8 | -54.7 | 0 | 0 | 0 | 112.8 | H302 W329 K330 V341 Q355 A356 H359 | H302-Y332 AromaticContact CE1-CD2 3.91Å; W329-Y332 VanDerWaalsContact O-CE1 3.28Å; W329-Y332 WeakPolarHBondContact O-CE1 3.44Å; K330-Y332 WeakPolarHBondContact O-CE2 3.41Å; Y332-V341 HydrophobicContact CD2-CG2 4.4Å; Y332-Q355 HydrophobicContact CE2-CB 3.86Å; Y332-A356 WeakPolarHBondContact OH-CA 3.5Å; Y332-A356 PolarHBondContact OH-N 3.33Å; Y332-H359 HydrophobicContact CD1-CB 3.72Å; Y332-H359 AromaticContact CD1-CD2 3.49Å; Y332-H359 VanDerWaalsContact CD1-CD2 3.49Å; Y332-H359 WeakPolarHBondContact CD1-CD2 3.3Å; Y332-H359 AromaticContact CD1-CG 3.45Å; Y332-H359 VanDerWaalsContact CD1-CG 3.45Å; Y332-H359 AromaticContact CD1-ND1 3.99Å; Y332-H359 HydrophobicContact CE1-CB 3.97Å; Y332-H359 HydrophobicContact CG-CB 4.25Å; Y332-H359 AromaticContact CG-CG 3.92Å | ||
| 333 | F | 92.3 | Very high | 87.1 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -134.5 | 176.9 | -175.4 | -53.6 | -77.2 | 0 | 0 | 0 | 111.1 | H302 L305 F306 T309 A337 V341 | H302-F333 AromaticContact CE1-CE2 3.63Å; H302-F333 AromaticContact NE2-CE2 3.75Å; H302-F333 AromaticContact NE2-CZ 3.67Å; L305-F333 HydrophobicContact CB-CZ 4.14Å; F306-F333 HydrophobicContact CB-CE1 4.29Å; F306-F333 HydrophobicContact CB-CZ 4.29Å; F306-F333 HydrophobicContact CD2-CE1 4.2Å; T309-F333 HydrophobicContact CG2-CD1 4.49Å; F333-A337 HydrophobicContact CB-CB 3.47Å; F333-A337 VanDerWaalsContact CB-CB 3.47Å; F333-A337 HydrophobicContact CD1-CB 4.5Å; F333-A337 HydrophobicContact CD2-CB 4.29Å; F333-A337 HydrophobicContact CG-CB 3.87Å; F333-V341 HydrophobicContact CD2-CG2 4.35Å; F333-V341 HydrophobicContact CE2-CG1 4.13Å |
| 334 | D | 87.7 | Confident | 88 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | trans | -62.6 | 162.1 | 166.7 | -63.8 | -32.5 | 0 | 0 | 0 | 111.2 | K319 T336 A337 Q338 | K319-D334 VanDerWaalsContact NZ-CG 3.33Å; K319-D334 IonicContact NZ-OD1 2.99Å; K319-D334 PolarHBondContact NZ-OD1 2.86Å; K319-D334 IonicContact NZ-OD2 3.62Å; K319-D334 PolarHBondContact NZ-OD2 3.19Å; D334-T336 VanDerWaalsContact C-N 3.3Å; D334-T336 PolarHBondContact O-N 3.01Å; D334-A337 PolarHBondContact O-N 3.3Å; D334-Q338 WeakPolarHBondContact O-CB 3.4Å; D334-Q338 PolarHBondContact O-N 2.86Å | ||
| 335 | E | 88.1 | Confident | 88.8 | Confident | 152 Ų | 152 | 43.7 Ų | 43.7 | 71% | 0.71 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -44.9 | -47 | -170.6 | -169.3 | -178.4 | 165.5 | 0 | 0 | 114.2 | Q338 E339 | E335-Q338 PolarHBondContact O-N 2.83Å; E335-E339 WeakPolarHBondContact O-CB 3.3Å; E335-E339 PolarHBondContact O-N 2.88Å |
| 336 | T | 91.5 | Very high | 89.2 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 26% | 0.258 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.6 | -48 | -177.8 | -47.7 | 0 | 0 | 0 | 0 | 112.8 | E119 I120 L123 D334 E339 I340 | E119-T336 HydrophobicContact CG-CG2 3.91Å; I120-T336 HydrophobicContact CB-CG2 4.47Å; I120-T336 HydrophobicContact CG1-CG2 3.77Å; L123-T336 HydrophobicContact CD2-CG2 3.87Å; D334-T336 VanDerWaalsContact C-N 3.3Å; D334-T336 PolarHBondContact O-N 3.01Å; T336-E339 PolarHBondContact O-N 3.25Å; T336-I340 WeakPolarHBondContact O-CG1 3.45Å; T336-I340 PolarHBondContact O-N 3.12Å |
| 337 | A | 92.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.1 | -33.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L123 L305 F333 D334 I340 V341 | L123-A337 HydrophobicContact CD2-CB 4.05Å; L305-A337 HydrophobicContact CD2-CB 4.3Å; F333-A337 HydrophobicContact CB-CB 3.47Å; F333-A337 VanDerWaalsContact CB-CB 3.47Å; F333-A337 HydrophobicContact CD1-CB 4.5Å; F333-A337 HydrophobicContact CD2-CB 4.29Å; F333-A337 HydrophobicContact CG-CB 3.87Å; D334-A337 PolarHBondContact O-N 3.3Å; A337-I340 WeakPolarHBondContact O-CB 3.24Å; A337-I340 PolarHBondContact O-N 3.44Å; A337-V341 PolarHBondContact O-N 2.77Å |
| 338 | Q | 93.4 | Very high | 90 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.9 | -171.8 | 62.7 | 38.9 | 0 | 0 | 111.1 | K330 D334 E335 I340 V341 D342 | K330-Q338 PolarHBondContact O-NE2 3.34Å; K330-Q338 VanDerWaalsContact O-NE2 3.13Å; D334-Q338 WeakPolarHBondContact O-CB 3.4Å; D334-Q338 PolarHBondContact O-N 2.86Å; E335-Q338 PolarHBondContact O-N 2.83Å; Q338-I340 PolarHBondContact O-N 3.37Å; Q338-V341 VanDerWaalsContact O-CG2 3.22Å; Q338-V341 WeakPolarHBondContact O-CG2 3.5Å; Q338-V341 PolarHBondContact O-N 3.39Å; Q338-D342 WeakPolarHBondContact CG-OD2 3.43Å; Q338-D342 VanDerWaalsContact NE2-CG 3.31Å; Q338-D342 PolarHBondContact NE2-OD1 3.31Å; Q338-D342 VanDerWaalsContact NE2-OD1 3.12Å; Q338-D342 PolarHBondContact NE2-OD2 2.92Å; Q338-D342 WeakPolarHBondContact O-CB 3.5Å; Q338-D342 PolarHBondContact O-N 3.35Å |
| 339 | E | 92.2 | Very high | 89.9 | Confident | 29 Ų | 29 | 36 Ų | 36 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -34.2 | 176.1 | -171.9 | 171.1 | 176.9 | 0 | 0 | 112.1 | R113 K117 I120 E335 T336 E343 | R113-E339 IonicContact CZ-OE1 2.69Å; R113-E339 IonicContact NH1-OE1 3.54Å; R113-E339 PolarHBondContact NH1-OE1 3.12Å; R113-E339 IonicContact NH2-OE1 3.33Å; R113-E339 PolarHBondContact NH2-OE1 2.93Å; K117-E339 IonicContact NZ-OE1 2.65Å; K117-E339 IonicContact NZ-OE2 3.17Å; K117-E339 PolarHBondContact NZ-OE2 3.07Å; I120-E339 HydrophobicContact CD1-CG 4.32Å; E335-E339 WeakPolarHBondContact O-CB 3.3Å; E335-E339 PolarHBondContact O-N 2.88Å; T336-E339 PolarHBondContact O-N 3.25Å; E339-E343 HydrophobicContact CG-CG 4.26Å; E339-E343 VanDerWaalsContact O-CB 3.31Å; E339-E343 WeakPolarHBondContact O-CB 3.29Å; E339-E343 WeakPolarHBondContact O-CG 3.22Å; E339-E343 PolarHBondContact O-N 3.23Å |
| 340 | I | 95 | Very high | 90 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 176.6 | -63 | 166.6 | 0 | 0 | 0 | 111.5 | T19 L23 I120 L123 I124 L301 L305 T336 A337 Q338 F344 | T19-I340 HydrophobicContact CG2-CG2 3.77Å; L23-I340 HydrophobicContact CD1-CG2 4.46Å; L23-I340 HydrophobicContact CD2-CB 3.98Å; L23-I340 HydrophobicContact CD2-CG1 3.56Å; L23-I340 HydrophobicContact CD2-CG2 4.19Å; I120-I340 HydrophobicContact CG2-CG1 4.13Å; L123-I340 HydrophobicContact CB-CD1 4.33Å; L123-I340 HydrophobicContact CD2-CD1 3.64Å; L123-I340 HydrophobicContact CG-CD1 3.97Å; I124-I340 HydrophobicContact CD1-CD1 4.45Å; I124-I340 HydrophobicContact CD1-CG1 4.38Å; I124-I340 HydrophobicContact CG1-CD1 3.82Å; I124-I340 HydrophobicContact CG1-CG1 4.26Å; I124-I340 HydrophobicContact CG1-CG2 4.39Å; L301-I340 HydrophobicContact CD1-CG2 4.06Å; L301-I340 HydrophobicContact CD2-CG2 4.13Å; L305-I340 HydrophobicContact CD1-CB 4.33Å; L305-I340 HydrophobicContact CD1-CG2 3.96Å; L305-I340 HydrophobicContact CD2-CD1 4.23Å; T336-I340 WeakPolarHBondContact O-CG1 3.45Å; T336-I340 PolarHBondContact O-N 3.12Å; A337-I340 WeakPolarHBondContact O-CB 3.24Å; A337-I340 PolarHBondContact O-N 3.44Å; Q338-I340 PolarHBondContact O-N 3.37Å; I340-F344 VanDerWaalsContact O-CB 3.31Å; I340-F344 WeakPolarHBondContact O-CB 3.37Å; I340-F344 PolarHBondContact O-N 3.42Å; I340-F344 VanDerWaalsContact O-N 3.16Å |
| 341 | V | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.7 | -37.4 | -177.8 | -65.6 | 0 | 0 | 0 | 0 | 112 | Y298 L305 Y332 F333 A337 Q338 A345 | Y298-V341 HydrophobicContact CE2-CB 4Å; L305-V341 HydrophobicContact CD1-CG1 3.51Å; Y332-V341 HydrophobicContact CD2-CG2 4.4Å; F333-V341 HydrophobicContact CD2-CG2 4.35Å; F333-V341 HydrophobicContact CE2-CG1 4.13Å; A337-V341 PolarHBondContact O-N 2.77Å; Q338-V341 VanDerWaalsContact O-CG2 3.22Å; Q338-V341 WeakPolarHBondContact O-CG2 3.5Å; Q338-V341 PolarHBondContact O-N 3.39Å; V341-A345 VanDerWaalsContact O-CB 3.23Å; V341-A345 WeakPolarHBondContact O-CB 3.47Å; V341-A345 PolarHBondContact O-N 2.98Å |
| 342 | D | 91.1 | Very high | 89.8 | Confident | 53 Ų | 53 | 33.2 Ų | 33.2 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.3 | -46.4 | -179.3 | -74.8 | -20.2 | 0 | 0 | 0 | 111.7 | Q338 F344 A345 M346 | Q338-D342 WeakPolarHBondContact CG-OD2 3.43Å; Q338-D342 VanDerWaalsContact NE2-CG 3.31Å; Q338-D342 PolarHBondContact NE2-OD1 3.31Å; Q338-D342 VanDerWaalsContact NE2-OD1 3.12Å; Q338-D342 PolarHBondContact NE2-OD2 2.92Å; Q338-D342 WeakPolarHBondContact O-CB 3.5Å; Q338-D342 PolarHBondContact O-N 3.35Å; D342-F344 VanDerWaalsContact C-N 3.34Å; D342-F344 PolarHBondContact O-N 2.99Å; D342-A345 PolarHBondContact O-N 3.21Å; D342-M346 HydrophobicContact CB-CE 4.34Å; D342-M346 WeakPolarHBondContact O-CB 3.33Å; D342-M346 VanDerWaalsContact O-CG 3.28Å; D342-M346 WeakPolarHBondContact O-CG 3.4Å; D342-M346 PolarHBondContact O-N 3.43Å |
| 343 | E | 90 | Very high | 89.7 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.023 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -38.5 | 176.8 | -76.1 | -66.4 | 159.2 | 0 | 0 | 112.1 | L23 P26 I27 S28 E339 M346 R347 | L23-E343 HydrophobicContact CD1-CB 4.36Å; L23-E343 HydrophobicContact CG-CB 4.27Å; P26-E343 HydrophobicContact CB-CG 4.11Å; P26-E343 VanDerWaalsContact CB-OE2 3.31Å; P26-E343 WeakPolarHBondContact CB-OE2 3.5Å; I27-E343 PolarHBondContact N-OE2 2.88Å; S28-E343 WeakPolarHBondContact CB-OE1 3.31Å; S28-E343 PolarHBondContact N-OE1 2.93Å; S28-E343 PolarHBondContact OG-OE1 3.43Å; E339-E343 HydrophobicContact CG-CG 4.26Å; E339-E343 VanDerWaalsContact O-CB 3.31Å; E339-E343 WeakPolarHBondContact O-CB 3.29Å; E339-E343 WeakPolarHBondContact O-CG 3.22Å; E339-E343 PolarHBondContact O-N 3.23Å; E343-M346 HydrophobicContact CG-CE 4.34Å; E343-R347 WeakPolarHBondContact O-CB 3.44Å; E343-R347 PolarHBondContact O-N 3.13Å |
| 344 | F | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 174.3 | -168.9 | -78 | 0 | 0 | 0 | 110.8 | K18 T19 Y294 Q297 Y298 L301 I340 D342 R347 Y348 | K18-F344 HydrophobicContact CB-CE2 4.27Å; T19-F344 HydrophobicContact CG2-CD2 4.31Å; T19-F344 WeakPolarHBondContact OG1-CE2 3.42Å; Y294-F344 HydrophobicContact CD1-CZ 4.44Å; Q297-F344 HydrophobicContact CB-CE1 4.37Å; Q297-F344 HydrophobicContact CB-CZ 3.93Å; Y298-F344 AromaticContact CD2-CD1 3.94Å; Y298-F344 HydrophobicContact CD2-CD1 3.94Å; L301-F344 HydrophobicContact CD2-CB 3.75Å; L301-F344 HydrophobicContact CD2-CD1 4.22Å; L301-F344 HydrophobicContact CD2-CD2 3.62Å; L301-F344 HydrophobicContact CD2-CE2 4.28Å; L301-F344 HydrophobicContact CD2-CG 3.59Å; I340-F344 VanDerWaalsContact O-CB 3.31Å; I340-F344 WeakPolarHBondContact O-CB 3.37Å; I340-F344 PolarHBondContact O-N 3.42Å; I340-F344 VanDerWaalsContact O-N 3.16Å; D342-F344 VanDerWaalsContact C-N 3.34Å; D342-F344 PolarHBondContact O-N 2.99Å; F344-R347 PolarHBondContact O-N 2.85Å; F344-Y348 AromaticContact CD1-CD2 3.71Å; F344-Y348 HydrophobicContact CD1-CD2 3.71Å; F344-Y348 HydrophobicContact CD1-CE2 4.38Å; F344-Y348 AromaticContact CD2-CD2 3.9Å; F344-Y348 HydrophobicContact CD2-CD2 3.9Å; F344-Y348 AromaticContact CD2-CE2 3.73Å; F344-Y348 HydrophobicContact CD2-CE2 3.73Å; F344-Y348 AromaticContact CE1-CD2 3.59Å; F344-Y348 HydrophobicContact CE1-CD2 3.59Å; F344-Y348 HydrophobicContact CE1-CE2 4.24Å; F344-Y348 HydrophobicContact CE1-CG 4.47Å; F344-Y348 AromaticContact CE2-CD2 3.79Å; F344-Y348 HydrophobicContact CE2-CD2 3.79Å; F344-Y348 AromaticContact CE2-CE2 3.56Å; F344-Y348 HydrophobicContact CE2-CE2 3.56Å; F344-Y348 AromaticContact CG-CD2 3.86Å; F344-Y348 HydrophobicContact CG-CD2 3.86Å; F344-Y348 HydrophobicContact CG-CE2 4.14Å; F344-Y348 AromaticContact CZ-CD2 3.62Å; F344-Y348 HydrophobicContact CZ-CD2 3.62Å; F344-Y348 AromaticContact CZ-CE2 3.83Å; F344-Y348 HydrophobicContact CZ-CE2 3.83Å; F344-Y348 VanDerWaalsContact O-CD2 3.26Å; F344-Y348 WeakPolarHBondContact O-CD2 3.38Å; F344-Y348 PolarHBondContact O-N 3.03Å; F344-Y348 VanDerWaalsContact O-N 3.08Å |
| 345 | A | 90.8 | Very high | 90 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.3 | -45.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y298 V341 D342 R347 G349 V350 Q355 | Y298-A345 HydrophobicContact CD2-CB 4.22Å; Y298-A345 HydrophobicContact CE2-CB 3.92Å; V341-A345 VanDerWaalsContact O-CB 3.23Å; V341-A345 WeakPolarHBondContact O-CB 3.47Å; V341-A345 PolarHBondContact O-N 2.98Å; D342-A345 PolarHBondContact O-N 3.21Å; A345-R347 VanDerWaalsContact C-N 3.34Å; A345-R347 PolarHBondContact O-N 3.19Å; A345-G349 WeakPolarHBondContact O-CA 3.49Å; A345-G349 PolarHBondContact O-N 3.5Å; A345-V350 HydrophobicContact CB-CB 3.97Å; A345-V350 PolarHBondContact O-N 3.36Å; A345-Q355 HydrophobicContact CB-CG 4.36Å |
| 346 | M | 85.2 | Confident | 90.2 | Very high | 104 Ų | 104 | 22.4 Ų | 22.4 | 51% | 0.512 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.1 | -74.5 | -172 | -69.1 | 0 | 0 | 112 | D342 E343 | D342-M346 HydrophobicContact CB-CE 4.34Å; D342-M346 WeakPolarHBondContact O-CB 3.33Å; D342-M346 VanDerWaalsContact O-CG 3.28Å; D342-M346 WeakPolarHBondContact O-CG 3.4Å; D342-M346 PolarHBondContact O-N 3.43Å; E343-M346 HydrophobicContact CG-CE 4.34Å |
| 347 | R | 84.4 | Confident | 90.4 | Very high | 29 Ų | 29 | 20.4 Ų | 20.4 | 11% | 0.109 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -72 | -35.8 | -176.6 | -172.5 | 169.9 | -161.3 | -113.1 | 8.5 | 114 | Q21 A22 I27 E343 F344 A345 | Q21-R347 PolarHBondContact O-NH1 3.46Å; A22-R347 VanDerWaalsContact CA-CD 3.45Å; I27-R347 VanDerWaalsContact CD1-CA 3.48Å; I27-R347 HydrophobicContact CD1-CB 3.79Å; I27-R347 HydrophobicContact CD1-CG 3.9Å; I27-R347 HydrophobicContact CG1-CB 4.25Å; I27-R347 HydrophobicContact CG1-CG 4.27Å; E343-R347 WeakPolarHBondContact O-CB 3.44Å; E343-R347 PolarHBondContact O-N 3.13Å; F344-R347 PolarHBondContact O-N 2.85Å; A345-R347 VanDerWaalsContact C-N 3.34Å; A345-R347 PolarHBondContact O-N 3.19Å |
| 348 | Y | 86.2 | Confident | 90.4 | Very high | 10 Ų | 10 | 20.2 Ų | 20.2 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -105.6 | 4 | -176.1 | -58.7 | -57.6 | 0 | 0 | 0 | 113.9 | K18 A22 T253 Y294 F344 | K18-Y348 HydrophobicContact CB-CE2 4.39Å; K18-Y348 PolarHBondContact O-OH 3.37Å; A22-Y348 HydrophobicContact CB-CE2 3.79Å; T253-Y348 VanDerWaalsContact CB-O 3.27Å; T253-Y348 WeakPolarHBondContact CB-O 3.16Å; Y294-Y348 AromaticContact CD1-CD1 3.82Å; Y294-Y348 HydrophobicContact CD1-CD1 3.82Å; Y294-Y348 HydrophobicContact CD1-CD2 4.03Å; Y294-Y348 HydrophobicContact CD1-CE1 4.46Å; Y294-Y348 AromaticContact CD1-CG 3.57Å; Y294-Y348 HydrophobicContact CD1-CG 3.57Å; Y294-Y348 HydrophobicContact CD2-CD1 4.36Å; Y294-Y348 HydrophobicContact CD2-CG 4.44Å; Y294-Y348 AromaticContact CE1-CD1 3.3Å; Y294-Y348 HydrophobicContact CE1-CD1 3.3Å; Y294-Y348 HydrophobicContact CE1-CD2 4.07Å; Y294-Y348 AromaticContact CE1-CE1 3.62Å; Y294-Y348 HydrophobicContact CE1-CE1 3.62Å; Y294-Y348 HydrophobicContact CE1-CE2 4.32Å; Y294-Y348 AromaticContact CE1-CG 3.56Å; Y294-Y348 HydrophobicContact CE1-CG 3.56Å; Y294-Y348 AromaticContact CE2-CD1 3.89Å; Y294-Y348 HydrophobicContact CE2-CD1 3.89Å; Y294-Y348 HydrophobicContact CE2-CG 4.41Å; Y294-Y348 HydrophobicContact CG-CD1 4.33Å; Y294-Y348 HydrophobicContact CG-CG 4.05Å; Y294-Y348 AromaticContact CZ-CD1 3.34Å; Y294-Y348 AromaticContact CZ-CE1 3.72Å; Y294-Y348 AromaticContact CZ-CG 4Å; F344-Y348 AromaticContact CD1-CD2 3.71Å; F344-Y348 HydrophobicContact CD1-CD2 3.71Å; F344-Y348 HydrophobicContact CD1-CE2 4.38Å; F344-Y348 AromaticContact CD2-CD2 3.9Å; F344-Y348 HydrophobicContact CD2-CD2 3.9Å; F344-Y348 AromaticContact CD2-CE2 3.73Å; F344-Y348 HydrophobicContact CD2-CE2 3.73Å; F344-Y348 AromaticContact CE1-CD2 3.59Å; F344-Y348 HydrophobicContact CE1-CD2 3.59Å; F344-Y348 HydrophobicContact CE1-CE2 4.24Å; F344-Y348 HydrophobicContact CE1-CG 4.47Å; F344-Y348 AromaticContact CE2-CD2 3.79Å; F344-Y348 HydrophobicContact CE2-CD2 3.79Å; F344-Y348 AromaticContact CE2-CE2 3.56Å; F344-Y348 HydrophobicContact CE2-CE2 3.56Å; F344-Y348 AromaticContact CG-CD2 3.86Å; F344-Y348 HydrophobicContact CG-CD2 3.86Å; F344-Y348 HydrophobicContact CG-CE2 4.14Å; F344-Y348 AromaticContact CZ-CD2 3.62Å; F344-Y348 HydrophobicContact CZ-CD2 3.62Å; F344-Y348 AromaticContact CZ-CE2 3.83Å; F344-Y348 HydrophobicContact CZ-CE2 3.83Å; F344-Y348 VanDerWaalsContact O-CD2 3.26Å; F344-Y348 WeakPolarHBondContact O-CD2 3.38Å; F344-Y348 PolarHBondContact O-N 3.03Å; F344-Y348 VanDerWaalsContact O-N 3.08Å |
| 349 | G | 81.6 | Confident | 90.5 | Very high | 39 Ų | 39 | 20 Ų | 20 | 40% | 0.402 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 39.9 | 171 | 0 | 0 | 0 | 0 | 0 | 114.5 | A345 | A345-G349 WeakPolarHBondContact O-CA 3.49Å; A345-G349 PolarHBondContact O-N 3.5Å |
| 350 | V | 88.6 | Confident | 90.6 | Very high | 8 Ų | 8 | 18.6 Ų | 18.6 | 5% | 0.048 | 11% | 0.105 | C | C | . | . | trans | -93.2 | 119.9 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 110 | Y298 A345 Y354 Q355 | Y298-V350 HydrophobicContact CD1-CG1 4.23Å; Y298-V350 HydrophobicContact CD2-CG1 4.3Å; Y298-V350 HydrophobicContact CG-CG1 4.01Å; Y298-V350 HydrophobicContact CG-CG2 4.42Å; A345-V350 HydrophobicContact CB-CB 3.97Å; A345-V350 PolarHBondContact O-N 3.36Å; V350-Y354 HydrophobicContact CG1-CD1 3.66Å; V350-Y354 HydrophobicContact CG1-CE1 4.49Å; V350-Y354 HydrophobicContact CG1-CG 4.11Å; V350-Q355 HydrophobicContact CG1-CG 4.26Å | ||
| 351 | E | 85.5 | Confident | 90.6 | Very high | 54 Ų | 54 | 19.7 Ų | 19.7 | 25% | 0.252 | 11% | 0.114 | S | C | . | . | trans | -68.7 | 146.3 | -176.1 | 62.9 | -83.7 | -166.3 | 0 | 0 | 113.7 | H295 I353 Y354 Q355 N407 | H295-E351 IonicContact CD2-OE2 3.08Å; H295-E351 IonicContact CE1-OE2 2.79Å; H295-E351 IonicContact NE2-OE1 3.95Å; H295-E351 IonicContact NE2-OE2 3.23Å; H295-E351 PolarHBondContact NE2-OE2 3Å; E351-I353 HydrophobicContact CB-CG2 4.37Å; E351-I353 HydrophobicContact CG-CG2 3.62Å; E351-I353 PolarHBondContact O-N 3.09Å; E351-I353 VanDerWaalsContact O-N 3.16Å; E351-Y354 VanDerWaalsContact O-CB 3.31Å; E351-Y354 WeakPolarHBondContact O-CB 3.49Å; E351-Y354 PolarHBondContact O-N 3.01Å; E351-Q355 PolarHBondContact O-N 3.47Å; E351-N407 WeakPolarHBondContact OE1-CB 3.18Å; E351-N407 PolarHBondContact OE1-ND2 2.98Å | ||
| 352 | S | 89.8 | Confident | 90.5 | Very high | 48 Ų | 48 | 20.1 Ų | 20.1 | 34% | 0.336 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -59.1 | -31.5 | -176.5 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | Y354 Q355 A356 | S352-Y354 VanDerWaalsContact C-N 3.33Å; S352-Q355 WeakPolarHBondContact O-CB 3.49Å; S352-Q355 PolarHBondContact O-N 3.07Å; S352-A356 PolarHBondContact O-N 3.34Å |
| 353 | I | 90 | Very high | 90.6 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.9 | -34.2 | 176.2 | -170.5 | 61.9 | 0 | 0 | 0 | 111.8 | W329 E351 A356 M357 I383 Y386 Y387 | W329-I353 HydrophobicContact CZ3-CD1 4.48Å; E351-I353 HydrophobicContact CB-CG2 4.37Å; E351-I353 HydrophobicContact CG-CG2 3.62Å; E351-I353 PolarHBondContact O-N 3.09Å; E351-I353 VanDerWaalsContact O-N 3.16Å; I353-A356 PolarHBondContact O-N 3.47Å; I353-M357 HydrophobicContact CG1-CG 4.48Å; I353-M357 HydrophobicContact CG1-SD 4.12Å; I353-M357 WeakPolarHBondContact O-CB 3.48Å; I353-M357 VanDerWaalsContact O-CG 3.25Å; I353-M357 WeakPolarHBondContact O-CG 3.43Å; I353-M357 PolarHBondContact O-N 3.27Å; I353-I383 HydrophobicContact CD1-CB 4.36Å; I353-I383 HydrophobicContact CD1-CG1 4.04Å; I353-I383 HydrophobicContact CD1-CG2 4.24Å; I353-Y386 HydrophobicContact CB-CD1 4.18Å; I353-Y386 HydrophobicContact CB-CE1 3.89Å; I353-Y386 HydrophobicContact CB-CE2 4.41Å; I353-Y386 HydrophobicContact CD1-CD1 3.75Å; I353-Y386 HydrophobicContact CD1-CD2 4.5Å; I353-Y386 HydrophobicContact CD1-CE1 4.35Å; I353-Y386 HydrophobicContact CD1-CG 3.84Å; I353-Y386 HydrophobicContact CG1-CD1 3.65Å; I353-Y386 HydrophobicContact CG1-CE1 3.76Å; I353-Y386 HydrophobicContact CG1-CG 4.18Å; I353-Y386 HydrophobicContact CG2-CE1 3.91Å; I353-Y387 HydrophobicContact CD1-CE2 4.01Å; I353-Y387 HydrophobicContact CG1-CE2 3.82Å; I353-Y387 WeakPolarHBondContact CG1-OH 3.41Å |
| 354 | Y | 91.7 | Very high | 90.8 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 174.4 | -171 | -85.3 | 0 | 0 | 0 | 110.8 | H295 Y298 T299 V350 E351 S352 M357 T358 N407 F408 | H295-Y354 HydrophobicContact CB-CE1 4.15Å; H295-Y354 HydrophobicContact CB-CE2 3.97Å; H295-Y354 AromaticContact CD2-CD2 3.6Å; H295-Y354 AromaticContact CD2-CE2 3.65Å; H295-Y354 AromaticContact CD2-CG 3.86Å; H295-Y354 WeakPolarHBondContact O-CE1 3.43Å; H295-Y354 PolarHBondContact O-OH 2.83Å; H295-Y354 VanDerWaalsContact O-OH 3.13Å; Y298-Y354 HydrophobicContact CD1-CD1 4.09Å; Y298-Y354 HydrophobicContact CD1-CE1 4.12Å; T299-Y354 PolarHBondContact OG1-OH 2.95Å; V350-Y354 HydrophobicContact CG1-CD1 3.66Å; V350-Y354 HydrophobicContact CG1-CE1 4.49Å; V350-Y354 HydrophobicContact CG1-CG 4.11Å; E351-Y354 VanDerWaalsContact O-CB 3.31Å; E351-Y354 WeakPolarHBondContact O-CB 3.49Å; E351-Y354 PolarHBondContact O-N 3.01Å; S352-Y354 VanDerWaalsContact C-N 3.33Å; Y354-M357 PolarHBondContact O-N 2.92Å; Y354-T358 WeakPolarHBondContact CE1-OG1 3.48Å; Y354-T358 WeakPolarHBondContact O-CB 3.22Å; Y354-T358 PolarHBondContact O-N 2.99Å; Y354-T358 PolarHBondContact O-OG1 3.21Å; Y354-N407 HydrophobicContact CD2-CB 4.18Å; Y354-N407 HydrophobicContact CE2-CB 4.45Å; Y354-F408 HydrophobicContact CD2-CB 4.04Å; Y354-F408 HydrophobicContact CE2-CB 4.09Å; Y354-F408 HydrophobicContact CE2-CD2 4.26Å |
| 355 | Q | 93.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 22.4 Ų | 22.4 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 174.8 | -54.9 | -168.2 | 54.6 | 0 | 0 | 111.3 | Y298 Y332 A345 V350 E351 S352 M357 T358 H359 | Y298-Q355 HydrophobicContact CE1-CB 4.12Å; Y298-Q355 HydrophobicContact CE1-CG 3.92Å; Y298-Q355 HydrophobicContact CE2-CG 3.99Å; Y298-Q355 VanDerWaalsContact CZ-CG 3.47Å; Y298-Q355 VanDerWaalsContact OH-CB 3.27Å; Y298-Q355 WeakPolarHBondContact OH-CB 3.39Å; Y298-Q355 VanDerWaalsContact OH-CG 3.26Å; Y298-Q355 WeakPolarHBondContact OH-CG 3.25Å; Y298-Q355 PolarHBondContact OH-OE1 3.06Å; Y332-Q355 HydrophobicContact CE2-CB 3.86Å; A345-Q355 HydrophobicContact CB-CG 4.36Å; V350-Q355 HydrophobicContact CG1-CG 4.26Å; E351-Q355 PolarHBondContact O-N 3.47Å; S352-Q355 WeakPolarHBondContact O-CB 3.49Å; S352-Q355 PolarHBondContact O-N 3.07Å; Q355-M357 PolarHBondContact O-N 3.01Å; Q355-T358 WeakPolarHBondContact O-CB 3.25Å; Q355-T358 PolarHBondContact O-N 3.07Å; Q355-H359 WeakPolarHBondContact O-CB 3.33Å; Q355-H359 PolarHBondContact O-N 2.82Å |
| 356 | A | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W329 Y332 S352 I353 T358 H359 F360 L379 I383 | W329-A356 HydrophobicContact CE3-CB 3.77Å; W329-A356 HydrophobicContact CZ3-CB 3.52Å; Y332-A356 WeakPolarHBondContact OH-CA 3.5Å; Y332-A356 PolarHBondContact OH-N 3.33Å; S352-A356 PolarHBondContact O-N 3.34Å; I353-A356 PolarHBondContact O-N 3.47Å; A356-T358 VanDerWaalsContact C-N 3.33Å; A356-H359 PolarHBondContact O-N 3.02Å; A356-F360 WeakPolarHBondContact O-CB 3.39Å; A356-F360 PolarHBondContact O-N 3.11Å; A356-L379 HydrophobicContact CB-CD1 3.94Å; A356-I383 HydrophobicContact CB-CD1 4.49Å; A356-I383 HydrophobicContact CB-CG1 4.35Å |
| 357 | M | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.3 | -34.6 | 177.4 | -70.6 | 175.8 | 73.6 | 0 | 0 | 112.3 | I353 Y354 Q355 A361 I383 Y387 F403 F408 F413 | I353-M357 HydrophobicContact CG1-CG 4.48Å; I353-M357 HydrophobicContact CG1-SD 4.12Å; I353-M357 WeakPolarHBondContact O-CB 3.48Å; I353-M357 VanDerWaalsContact O-CG 3.25Å; I353-M357 WeakPolarHBondContact O-CG 3.43Å; I353-M357 PolarHBondContact O-N 3.27Å; Y354-M357 PolarHBondContact O-N 2.92Å; Q355-M357 PolarHBondContact O-N 3.01Å; M357-A361 PolarHBondContact O-N 3.12Å; M357-A361 VanDerWaalsContact O-N 3.07Å; M357-I383 HydrophobicContact CG-CD1 4.02Å; M357-I383 HydrophobicContact CG-CG1 4.39Å; M357-I383 HydrophobicContact CG-CG2 4.24Å; M357-Y387 HydrophobicContact SD-CE2 4.08Å; M357-Y387 PolarHBondContact SD-OH 3.48Å; M357-Y387 VanDerWaalsContact SD-OH 3.39Å; M357-F403 HydrophobicContact CE-CE2 3.84Å; M357-F403 HydrophobicContact CE-CZ 4.49Å; M357-F408 HydrophobicContact CB-CB 4.29Å; M357-F408 HydrophobicContact CB-CD1 4.49Å; M357-F408 HydrophobicContact CB-CD2 3.89Å; M357-F408 HydrophobicContact CB-CE2 4.35Å; M357-F408 HydrophobicContact CB-CG 3.96Å; M357-F408 HydrophobicContact CE-CB 3.66Å; M357-F408 HydrophobicContact CE-CD1 3.76Å; M357-F408 HydrophobicContact CE-CG 3.86Å; M357-F408 HydrophobicContact SD-CB 4Å; M357-F413 HydrophobicContact CB-CD2 4.32Å; M357-F413 HydrophobicContact CB-CE2 4.09Å; M357-F413 HydrophobicContact CE-CB 3.76Å; M357-F413 HydrophobicContact CE-CD1 3.92Å; M357-F413 HydrophobicContact CE-CD2 3.48Å; M357-F413 VanDerWaalsContact CE-CD2 3.48Å; M357-F413 HydrophobicContact CE-CE1 4.35Å; M357-F413 HydrophobicContact CE-CE2 3.98Å; M357-F413 HydrophobicContact CE-CG 3.45Å; M357-F413 VanDerWaalsContact CE-CG 3.45Å; M357-F413 HydrophobicContact CE-CZ 4.38Å; M357-F413 HydrophobicContact CG-CD2 4.42Å; M357-F413 HydrophobicContact CG-CE2 4.07Å; M357-F413 HydrophobicContact CG-CZ 4.45Å |
| 358 | T | 94.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.5 | -47.3 | 173.9 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | Y298 T299 H302 Y354 Q355 A356 F360 A361 C362 | Y298-T358 HydrophobicContact CE1-CG2 4.4Å; T299-T358 HydrophobicContact CG2-CG2 4.25Å; H302-T358 HydrophobicContact CB-CG2 3.97Å; Y354-T358 WeakPolarHBondContact CE1-OG1 3.48Å; Y354-T358 WeakPolarHBondContact O-CB 3.22Å; Y354-T358 PolarHBondContact O-N 2.99Å; Y354-T358 PolarHBondContact O-OG1 3.21Å; Q355-T358 WeakPolarHBondContact O-CB 3.25Å; Q355-T358 PolarHBondContact O-N 3.07Å; A356-T358 VanDerWaalsContact C-N 3.33Å; T358-F360 VanDerWaalsContact C-N 3.32Å; T358-F360 PolarHBondContact O-N 3.45Å; T358-A361 WeakPolarHBondContact O-CA 3.39Å; T358-A361 WeakPolarHBondContact O-CB 3.32Å; T358-A361 PolarHBondContact O-N 3Å; T358-A361 VanDerWaalsContact O-N 3.07Å; T358-C362 PolarHBondContact O-N 2.78Å |
| 359 | H | 94.9 | Very high | 91.2 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 176.1 | -169.5 | 67.9 | 0 | 0 | 0 | 111.9 | H302 Y332 Q355 A356 A361 C362 L363 | H302-H359 AromaticContact CE1-ND1 3.75Å; H302-H359 WeakPolarHBondContact NE2-CB 3.29Å; H302-H359 AromaticContact NE2-CG 3.57Å; H302-H359 AromaticContact NE2-ND1 2.97Å; H302-H359 PolarHBondContact NE2-ND1 3.36Å; Y332-H359 HydrophobicContact CD1-CB 3.72Å; Y332-H359 AromaticContact CD1-CD2 3.49Å; Y332-H359 VanDerWaalsContact CD1-CD2 3.49Å; Y332-H359 WeakPolarHBondContact CD1-CD2 3.3Å; Y332-H359 AromaticContact CD1-CG 3.45Å; Y332-H359 VanDerWaalsContact CD1-CG 3.45Å; Y332-H359 AromaticContact CD1-ND1 3.99Å; Y332-H359 HydrophobicContact CE1-CB 3.97Å; Y332-H359 HydrophobicContact CG-CB 4.25Å; Y332-H359 AromaticContact CG-CG 3.92Å; Q355-H359 WeakPolarHBondContact O-CB 3.33Å; Q355-H359 PolarHBondContact O-N 2.82Å; A356-H359 PolarHBondContact O-N 3.02Å; H359-A361 VanDerWaalsContact C-N 3.28Å; H359-A361 PolarHBondContact O-N 2.95Å; H359-C362 WeakPolarHBondContact O-CB 3.28Å; H359-C362 PolarHBondContact O-N 3.06Å; H359-C362 VanDerWaalsContact O-N 3.13Å; H359-L363 WeakPolarHBondContact O-CG 3.44Å; H359-L363 PolarHBondContact O-N 3.38Å |
| 360 | F | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.4 | -40.5 | 173.5 | -175.9 | -89 | 0 | 0 | 0 | 111.9 | A356 T358 L363 S364 M376 L379 L380 I383 F413 L416 L417 L420 L452 | A356-F360 WeakPolarHBondContact O-CB 3.39Å; A356-F360 PolarHBondContact O-N 3.11Å; T358-F360 VanDerWaalsContact C-N 3.32Å; T358-F360 PolarHBondContact O-N 3.45Å; F360-L363 PolarHBondContact O-N 3.28Å; F360-S364 WeakPolarHBondContact O-CB 3.43Å; F360-S364 PolarHBondContact O-N 3.44Å; F360-M376 HydrophobicContact CD2-CE 4.13Å; F360-M376 HydrophobicContact CE1-CE 4.11Å; F360-M376 HydrophobicContact CE2-CB 4.06Å; F360-M376 HydrophobicContact CE2-CE 3.66Å; F360-M376 HydrophobicContact CE2-CG 4.48Å; F360-M376 HydrophobicContact CZ-CE 3.66Å; F360-L379 HydrophobicContact CB-CD2 3.78Å; F360-L379 HydrophobicContact CB-CG 4.4Å; F360-L379 HydrophobicContact CD2-CB 4.5Å; F360-L379 HydrophobicContact CD2-CD2 4.17Å; F360-L379 HydrophobicContact CD2-CG 4.34Å; F360-L380 HydrophobicContact CD2-CB 4.34Å; F360-L380 HydrophobicContact CE2-CB 3.73Å; F360-L380 HydrophobicContact CE2-CD1 4.26Å; F360-L380 HydrophobicContact CE2-CD2 4.31Å; F360-L380 HydrophobicContact CE2-CG 4.32Å; F360-L380 HydrophobicContact CZ-CB 4.34Å; F360-L380 HydrophobicContact CZ-CD1 4.19Å; F360-L380 HydrophobicContact CZ-CD2 4.11Å; F360-L380 HydrophobicContact CZ-CG 4.45Å; F360-I383 HydrophobicContact CB-CD1 4.21Å; F360-I383 HydrophobicContact CG-CD1 4.49Å; F360-F413 AromaticContact CD1-CE2 3.71Å; F360-F413 HydrophobicContact CD1-CE2 3.71Å; F360-F413 AromaticContact CD1-CZ 3.89Å; F360-F413 HydrophobicContact CD1-CZ 3.89Å; F360-F413 HydrophobicContact CE1-CE2 4.34Å; F360-F413 HydrophobicContact CE1-CZ 4.21Å; F360-F413 HydrophobicContact CG-CE2 4.35Å; F360-F413 HydrophobicContact CG-CZ 4.42Å; F360-L416 HydrophobicContact CD1-CD2 4.08Å; F360-L416 HydrophobicContact CE1-CD2 4.39Å; F360-L417 HydrophobicContact CE1-CD2 3.63Å; F360-L417 HydrophobicContact CZ-CD2 3.81Å; F360-L420 HydrophobicContact CE1-CD2 4.02Å; F360-L420 HydrophobicContact CZ-CD2 3.7Å; F360-L452 HydrophobicContact CE2-CD1 4.39Å |
| 361 | A | 93.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 20% | 0.198 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M357 T358 H359 S364 F408 L416 | M357-A361 PolarHBondContact O-N 3.12Å; M357-A361 VanDerWaalsContact O-N 3.07Å; T358-A361 WeakPolarHBondContact O-CA 3.39Å; T358-A361 WeakPolarHBondContact O-CB 3.32Å; T358-A361 PolarHBondContact O-N 3Å; T358-A361 VanDerWaalsContact O-N 3.07Å; H359-A361 VanDerWaalsContact C-N 3.28Å; H359-A361 PolarHBondContact O-N 2.95Å; A361-S364 WeakPolarHBondContact O-CB 3.3Å; A361-S364 PolarHBondContact O-N 3.22Å; A361-S364 PolarHBondContact O-OG 3.03Å; A361-F408 HydrophobicContact CB-CZ 4.02Å; A361-L416 HydrophobicContact CB-CD1 4.45Å; A361-L416 HydrophobicContact CB-CD2 3.61Å |
| 362 | C | 93.2 | Very high | 91.8 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 7% | 0.068 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.5 | -49.9 | 173.5 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | F306 T358 H359 S364 S365 | F306-C362 HydrophobicContact CB-CB 4.2Å; F306-C362 HydrophobicContact CD1-CB 3.73Å; F306-C362 HydrophobicContact CD2-CB 3.94Å; F306-C362 HydrophobicContact CE1-CB 4.02Å; F306-C362 WeakPolarHBondContact CE1-O 3.42Å; F306-C362 HydrophobicContact CE2-CB 4.23Å; F306-C362 HydrophobicContact CG-CB 3.68Å; F306-C362 HydrophobicContact CZ-CB 4.26Å; T358-C362 PolarHBondContact O-N 2.78Å; H359-C362 WeakPolarHBondContact O-CB 3.28Å; H359-C362 PolarHBondContact O-N 3.06Å; H359-C362 VanDerWaalsContact O-N 3.13Å; C362-S364 PolarHBondContact O-N 3.44Å; C362-S365 WeakPolarHBondContact O-CB 3.43Å; C362-S365 PolarHBondContact O-N 3.48Å; C362-S365 PolarHBondContact O-OG 2.66Å |
| 363 | L | 93.8 | Very high | 92 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.5 | -33.7 | 177.5 | -68.7 | 176.1 | 0 | 0 | 0 | 112.4 | F306 V318 H359 F360 S365 K366 Y367 V372 V375 M376 L379 | F306-L363 HydrophobicContact CE2-CD2 3.77Å; F306-L363 HydrophobicContact CE2-CG 4.47Å; F306-L363 HydrophobicContact CZ-CD2 4.06Å; V318-L363 HydrophobicContact CG1-CD2 3.99Å; H359-L363 WeakPolarHBondContact O-CG 3.44Å; H359-L363 PolarHBondContact O-N 3.38Å; F360-L363 PolarHBondContact O-N 3.28Å; L363-S365 PolarHBondContact O-N 3.26Å; L363-S365 VanDerWaalsContact O-N 3.14Å; L363-K366 CarbonylContact O-C 3.52Å; L363-K366 VanDerWaalsContact O-C 3.29Å; L363-K366 WeakPolarHBondContact O-CA 3.43Å; L363-K366 PolarHBondContact O-N 2.95Å; L363-Y367 PolarHBondContact O-N 3.12Å; L363-V372 HydrophobicContact CB-CG1 4.17Å; L363-V372 HydrophobicContact CD2-CG1 4.09Å; L363-V375 HydrophobicContact CD1-CG1 4.13Å; L363-M376 HydrophobicContact CB-CE 4.26Å; L363-M376 HydrophobicContact CB-CG 3.63Å; L363-M376 HydrophobicContact CB-SD 3.81Å; L363-M376 HydrophobicContact CD1-CG 3.85Å; L363-M376 HydrophobicContact CG-CG 4.37Å; L363-L379 HydrophobicContact CD1-CD2 4.16Å |
| 364 | S | 93.4 | Very high | 92 | Very high | 21 Ų | 21 | 21.6 Ų | 21.6 | 15% | 0.147 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -21.3 | 177.2 | 81.7 | 0 | 0 | 0 | 0 | 114 | F360 A361 C362 K366 Y367 L416 | F360-S364 WeakPolarHBondContact O-CB 3.43Å; F360-S364 PolarHBondContact O-N 3.44Å; A361-S364 WeakPolarHBondContact O-CB 3.3Å; A361-S364 PolarHBondContact O-N 3.22Å; A361-S364 PolarHBondContact O-OG 3.03Å; C362-S364 PolarHBondContact O-N 3.44Å; S364-K366 VanDerWaalsContact C-N 3.31Å; S364-Y367 VanDerWaalsContact O-CD1 3.24Å; S364-Y367 WeakPolarHBondContact O-CD1 3.48Å; S364-L416 WeakPolarHBondContact OG-CD1 3.45Å |
| 365 | S | 90.7 | Very high | 92 | Very high | 81 Ų | 81 | 23.5 Ų | 23.5 | 57% | 0.566 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -15.9 | 173.3 | 72.2 | 0 | 0 | 0 | 0 | 113.4 | C362 L363 | C362-S365 WeakPolarHBondContact O-CB 3.43Å; C362-S365 PolarHBondContact O-N 3.48Å; C362-S365 PolarHBondContact O-OG 2.66Å; L363-S365 PolarHBondContact O-N 3.26Å; L363-S365 VanDerWaalsContact O-N 3.14Å |
| 366 | K | 91.6 | Very high | 92 | Very high | 45 Ų | 45 | 22.8 Ų | 22.8 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -128.7 | 25.4 | -175.6 | -64.5 | -66.2 | -174 | 170.1 | 0 | 112.6 | F306 E311 V318 L363 S364 M368 C369 | F306-K366 HydrophobicContact CE1-CG 3.99Å; F306-K366 HydrophobicContact CZ-CB 4.42Å; F306-K366 HydrophobicContact CZ-CG 4.25Å; E311-K366 WeakPolarHBondContact OE1-CE 3.27Å; E311-K366 IonicContact OE1-NZ 3.99Å; E311-K366 PolarHBondContact OE1-NZ 3.21Å; E311-K366 IonicContact OE2-NZ 3.9Å; V318-K366 HydrophobicContact CG2-CB 3.59Å; V318-K366 HydrophobicContact CG2-CG 4.04Å; L363-K366 CarbonylContact O-C 3.52Å; L363-K366 VanDerWaalsContact O-C 3.29Å; L363-K366 WeakPolarHBondContact O-CA 3.43Å; L363-K366 PolarHBondContact O-N 2.95Å; S364-K366 VanDerWaalsContact C-N 3.31Å; K366-M368 PolarHBondContact O-N 2.9Å; K366-M368 VanDerWaalsContact O-N 3.07Å; K366-C369 WeakPolarHBondContact O-CB 3.4Å; K366-C369 PolarHBondContact O-N 3.45Å |
| 367 | Y | 90.4 | Very high | 91.9 | Very high | 36 Ų | 36 | 23.5 Ų | 23.5 | 14% | 0.141 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.9 | -175.3 | 72.9 | -77.4 | 0 | 0 | 0 | 114.6 | L363 S364 P373 L420 S423 L424 D427 | L363-Y367 PolarHBondContact O-N 3.12Å; S364-Y367 VanDerWaalsContact O-CD1 3.24Å; S364-Y367 WeakPolarHBondContact O-CD1 3.48Å; Y367-P373 WeakPolarHBondContact O-CD 3.5Å; Y367-P373 VanDerWaalsContact O-CG 3.26Å; Y367-P373 WeakPolarHBondContact O-CG 3.47Å; Y367-L420 HydrophobicContact CD1-CD1 4.21Å; Y367-L420 HydrophobicContact CD2-CD1 4.2Å; Y367-L420 HydrophobicContact CG-CD1 3.88Å; Y367-S423 WeakPolarHBondContact OH-CB 3.11Å; Y367-L424 HydrophobicContact CD2-CD2 3.49Å; Y367-L424 VanDerWaalsContact CD2-CD2 3.49Å; Y367-L424 HydrophobicContact CD2-CG 4.37Å; Y367-L424 HydrophobicContact CE2-CD2 3.82Å; Y367-L424 HydrophobicContact CE2-CG 4.44Å; Y367-D427 WeakPolarHBondContact CE2-OD2 3.34Å; Y367-D427 PolarHBondContact OH-OD2 2.9Å |
| 368 | M | 86.4 | Confident | 91.8 | Very high | 58 Ų | 58 | 27.4 Ų | 27.4 | 29% | 0.286 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -8.9 | 176.4 | -75.4 | -71.5 | 107.4 | 0 | 0 | 114.3 | K366 D427 F435 R442 | K366-M368 PolarHBondContact O-N 2.9Å; K366-M368 VanDerWaalsContact O-N 3.07Å; M368-D427 HydrophobicContact CE-CB 3.88Å; M368-D427 VanDerWaalsContact CE-OD2 3.31Å; M368-D427 WeakPolarHBondContact CE-OD2 3.4Å; M368-D427 HydrophobicContact SD-CB 4.13Å; M368-F435 HydrophobicContact CE-CZ 4.19Å; M368-R442 PolarHBondContact O-NH1 3.21Å |
| 369 | C | 89 | Confident | 91.7 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -70.3 | 142.7 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 110.2 | V318 K366 G371 V372 | V318-C369 HydrophobicContact CB-CB 4.47Å; V318-C369 HydrophobicContact CG2-CB 4.11Å; K366-C369 WeakPolarHBondContact O-CB 3.4Å; K366-C369 PolarHBondContact O-N 3.45Å; C369-G371 PolarHBondContact O-N 2.88Å; C369-V372 HydrophobicContact CB-CG2 3.71Å; C369-V372 WeakPolarHBondContact O-CB 3.19Å; C369-V372 PolarHBondContact O-N 3.15Å |
| 370 | P | 87.7 | Confident | 91.6 | Very high | 60 Ų | 60 | 27.1 Ų | 27.1 | 39% | 0.39 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 137.5 | -178.7 | -26 | 34.6 | 0 | 0 | 0 | 113.1 | V372 D445 | P370-V372 PolarHBondContact O-N 3.3Å; P370-V372 VanDerWaalsContact O-N 3.08Å; P370-D445 WeakPolarHBondContact CA-OD2 3.42Å |
| 371 | G | 88.1 | Confident | 91.4 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -17 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | I320 C369 A374 V375 D445 | I320-G371 VanDerWaalsContact CD1-C 3.42Å; C369-G371 PolarHBondContact O-N 2.88Å; G371-A374 PolarHBondContact O-N 3.43Å; G371-V375 PolarHBondContact O-N 2.97Å; G371-D445 PolarHBondContact N-OD1 3.25Å |
| 372 | V | 92.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 178.6 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | V318 L363 C369 P370 A374 V375 M376 | V318-V372 HydrophobicContact CB-CG2 3.67Å; V318-V372 HydrophobicContact CG1-CG2 3.97Å; V318-V372 HydrophobicContact CG2-CG2 3.93Å; L363-V372 HydrophobicContact CB-CG1 4.17Å; L363-V372 HydrophobicContact CD2-CG1 4.09Å; C369-V372 HydrophobicContact CB-CG2 3.71Å; C369-V372 WeakPolarHBondContact O-CB 3.19Å; C369-V372 PolarHBondContact O-N 3.15Å; P370-V372 PolarHBondContact O-N 3.3Å; P370-V372 VanDerWaalsContact O-N 3.08Å; V372-A374 PolarHBondContact O-N 2.88Å; V372-V375 PolarHBondContact O-N 2.88Å; V372-M376 HydrophobicContact CG1-CG 3.87Å; V372-M376 HydrophobicContact CG1-SD 3.77Å; V372-M376 WeakPolarHBondContact O-CB 3.36Å; V372-M376 WeakPolarHBondContact O-CG 3.3Å; V372-M376 PolarHBondContact O-N 3.13Å |
| 373 | P | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -35.7 | 178.8 | -26.8 | 34.5 | 0 | 0 | 0 | 113.9 | Y367 S377 | Y367-P373 WeakPolarHBondContact O-CD 3.5Å; Y367-P373 VanDerWaalsContact O-CG 3.26Å; Y367-P373 WeakPolarHBondContact O-CG 3.47Å; P373-S377 WeakPolarHBondContact O-CB 3.29Å; P373-S377 PolarHBondContact O-N 3.36Å |
| 374 | A | 90.8 | Very high | 90.9 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 31% | 0.306 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68 | -45.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G371 V372 S377 T378 | G371-A374 PolarHBondContact O-N 3.43Å; V372-A374 PolarHBondContact O-N 2.88Å; A374-S377 PolarHBondContact O-N 2.89Å; A374-T378 PolarHBondContact O-N 3.42Å; A374-T378 PolarHBondContact O-OG1 2.85Å |
| 375 | V | 91.2 | Very high | 90.6 | Very high | 44 Ų | 44 | 31 Ų | 31 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 176.4 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | I320 L363 G371 V372 S377 T378 L379 | I320-V375 HydrophobicContact CB-CG2 4.49Å; I320-V375 HydrophobicContact CD1-CG2 3.96Å; I320-V375 HydrophobicContact CG1-CG2 4.12Å; I320-V375 HydrophobicContact CG2-CG2 3.57Å; L363-V375 HydrophobicContact CD1-CG1 4.13Å; G371-V375 PolarHBondContact O-N 2.97Å; V372-V375 PolarHBondContact O-N 2.88Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 2.91Å; V375-T378 PolarHBondContact O-N 3.43Å; V375-L379 VanDerWaalsContact O-CB 3.24Å; V375-L379 WeakPolarHBondContact O-CB 3.33Å; V375-L379 PolarHBondContact O-N 2.95Å |
| 376 | M | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 176.5 | -73.3 | -172.1 | 76.4 | 0 | 0 | 112.2 | F360 L363 V372 L379 L380 L420 L452 | F360-M376 HydrophobicContact CD2-CE 4.13Å; F360-M376 HydrophobicContact CE1-CE 4.11Å; F360-M376 HydrophobicContact CE2-CB 4.06Å; F360-M376 HydrophobicContact CE2-CE 3.66Å; F360-M376 HydrophobicContact CE2-CG 4.48Å; F360-M376 HydrophobicContact CZ-CE 3.66Å; L363-M376 HydrophobicContact CB-CE 4.26Å; L363-M376 HydrophobicContact CB-CG 3.63Å; L363-M376 HydrophobicContact CB-SD 3.81Å; L363-M376 HydrophobicContact CD1-CG 3.85Å; L363-M376 HydrophobicContact CG-CG 4.37Å; V372-M376 HydrophobicContact CG1-CG 3.87Å; V372-M376 HydrophobicContact CG1-SD 3.77Å; V372-M376 WeakPolarHBondContact O-CB 3.36Å; V372-M376 WeakPolarHBondContact O-CG 3.3Å; V372-M376 PolarHBondContact O-N 3.13Å; M376-L379 PolarHBondContact O-N 3.45Å; M376-L380 VanDerWaalsContact O-CB 3.3Å; M376-L380 WeakPolarHBondContact O-CB 3.48Å; M376-L380 PolarHBondContact O-N 2.93Å; M376-L420 HydrophobicContact CE-CD1 4.33Å; M376-L420 HydrophobicContact CE-CD2 3.48Å; M376-L420 VanDerWaalsContact CE-CD2 3.48Å; M376-L452 HydrophobicContact CB-CD1 3.87Å; M376-L452 HydrophobicContact CB-CD2 3.94Å; M376-L452 HydrophobicContact CE-CD2 4.39Å; M376-L452 HydrophobicContact SD-CD2 4.15Å |
| 377 | S | 92.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 178 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | P373 A374 V375 L380 A381 S455 | P373-S377 WeakPolarHBondContact O-CB 3.29Å; P373-S377 PolarHBondContact O-N 3.36Å; A374-S377 PolarHBondContact O-N 2.89Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 2.91Å; S377-L380 PolarHBondContact O-N 2.6Å; S377-A381 WeakPolarHBondContact O-CB 3.18Å; S377-A381 PolarHBondContact O-N 3.24Å; S377-S455 PolarHBondContact OG-OG 3.3Å |
| 378 | T | 91.2 | Very high | 89.5 | Confident | 82 Ų | 82 | 28.5 Ų | 28.5 | 50% | 0.503 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65 | -43.3 | 178 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | A374 V375 A381 N382 | A374-T378 PolarHBondContact O-N 3.42Å; A374-T378 PolarHBondContact O-OG1 2.85Å; V375-T378 PolarHBondContact O-N 3.43Å; T378-A381 PolarHBondContact O-N 3.47Å; T378-N382 PolarHBondContact O-N 3.41Å; T378-N382 PolarHBondContact O-ND2 3.05Å |
| 379 | L | 92.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 177.9 | -176.4 | 58.9 | 0 | 0 | 0 | 111.1 | W329 A356 F360 L363 V375 M376 A381 N382 I383 | W329-L379 HydrophobicContact CB-CD1 4.07Å; W329-L379 HydrophobicContact CE3-CD1 4.05Å; A356-L379 HydrophobicContact CB-CD1 3.94Å; F360-L379 HydrophobicContact CB-CD2 3.78Å; F360-L379 HydrophobicContact CB-CG 4.4Å; F360-L379 HydrophobicContact CD2-CB 4.5Å; F360-L379 HydrophobicContact CD2-CD2 4.17Å; F360-L379 HydrophobicContact CD2-CG 4.34Å; L363-L379 HydrophobicContact CD1-CD2 4.16Å; V375-L379 VanDerWaalsContact O-CB 3.24Å; V375-L379 WeakPolarHBondContact O-CB 3.33Å; V375-L379 PolarHBondContact O-N 2.95Å; M376-L379 PolarHBondContact O-N 3.45Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 2.9Å; L379-N382 PolarHBondContact O-N 2.9Å; L379-I383 HydrophobicContact CG-CD1 4.14Å; L379-I383 VanDerWaalsContact O-CG1 3.3Å; L379-I383 WeakPolarHBondContact O-CG1 3.44Å; L379-I383 PolarHBondContact O-N 3.29Å |
| 380 | L | 93.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -36 | 176.8 | -171.3 | 60.4 | 0 | 0 | 0 | 112.2 | F360 M376 S377 N382 I383 N384 F413 L417 L452 I456 F459 | F360-L380 HydrophobicContact CD2-CB 4.34Å; F360-L380 HydrophobicContact CE2-CB 3.73Å; F360-L380 HydrophobicContact CE2-CD1 4.26Å; F360-L380 HydrophobicContact CE2-CD2 4.31Å; F360-L380 HydrophobicContact CE2-CG 4.32Å; F360-L380 HydrophobicContact CZ-CB 4.34Å; F360-L380 HydrophobicContact CZ-CD1 4.19Å; F360-L380 HydrophobicContact CZ-CD2 4.11Å; F360-L380 HydrophobicContact CZ-CG 4.45Å; M376-L380 VanDerWaalsContact O-CB 3.3Å; M376-L380 WeakPolarHBondContact O-CB 3.48Å; M376-L380 PolarHBondContact O-N 2.93Å; S377-L380 PolarHBondContact O-N 2.6Å; L380-N382 VanDerWaalsContact C-N 3.34Å; L380-I383 PolarHBondContact O-N 2.97Å; L380-N384 VanDerWaalsContact O-CB 3.25Å; L380-N384 WeakPolarHBondContact O-CB 3.49Å; L380-N384 PolarHBondContact O-N 2.99Å; L380-F413 HydrophobicContact CD1-CE1 4.07Å; L380-F413 HydrophobicContact CD1-CZ 3.98Å; L380-L417 HydrophobicContact CD1-CD2 4.05Å; L380-L417 HydrophobicContact CD2-CD2 4.03Å; L380-L452 HydrophobicContact CD2-CD1 4.38Å; L380-I456 HydrophobicContact CD2-CB 4.33Å; L380-I456 HydrophobicContact CD2-CG1 3.61Å; L380-F459 HydrophobicContact CD1-CD2 4Å; L380-F459 HydrophobicContact CD1-CG 4.35Å |
| 381 | A | 90.7 | Very high | 84.8 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 37% | 0.372 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S377 T378 L379 N384 A385 | S377-A381 WeakPolarHBondContact O-CB 3.18Å; S377-A381 PolarHBondContact O-N 3.24Å; T378-A381 PolarHBondContact O-N 3.47Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 2.9Å; A381-N384 WeakPolarHBondContact O-CB 3.29Å; A381-N384 PolarHBondContact O-N 3.4Å; A381-A385 WeakPolarHBondContact O-CB 3.42Å; A381-A385 PolarHBondContact O-N 3.07Å |
| 382 | N | 90.8 | Very high | 82.4 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 174.9 | -76.5 | -68.7 | 0 | 0 | 0 | 112.5 | W329 T378 L379 L380 N384 A385 Y386 | W329-N382 HydrophobicContact CB-CB 4.14Å; W329-N382 HydrophobicContact CD2-CB 3.68Å; W329-N382 HydrophobicContact CE3-CB 4.07Å; W329-N382 HydrophobicContact CG-CB 3.7Å; T378-N382 PolarHBondContact O-N 3.41Å; T378-N382 PolarHBondContact O-ND2 3.05Å; L379-N382 PolarHBondContact O-N 2.9Å; L380-N382 VanDerWaalsContact C-N 3.34Å; N382-N384 VanDerWaalsContact C-N 3.3Å; N382-N384 PolarHBondContact O-N 3.18Å; N382-A385 PolarHBondContact O-N 2.88Å; N382-Y386 WeakPolarHBondContact O-CB 3.34Å; N382-Y386 PolarHBondContact O-N 3.13Å |
| 383 | I | 91.2 | Very high | 80 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 172.1 | -67.8 | 166.8 | 0 | 0 | 0 | 109.9 | I353 A356 M357 F360 L379 L380 Y386 Y387 F413 F459 | I353-I383 HydrophobicContact CD1-CB 4.36Å; I353-I383 HydrophobicContact CD1-CG1 4.04Å; I353-I383 HydrophobicContact CD1-CG2 4.24Å; A356-I383 HydrophobicContact CB-CD1 4.49Å; A356-I383 HydrophobicContact CB-CG1 4.35Å; M357-I383 HydrophobicContact CG-CD1 4.02Å; M357-I383 HydrophobicContact CG-CG1 4.39Å; M357-I383 HydrophobicContact CG-CG2 4.24Å; F360-I383 HydrophobicContact CB-CD1 4.21Å; F360-I383 HydrophobicContact CG-CD1 4.49Å; L379-I383 HydrophobicContact CG-CD1 4.14Å; L379-I383 VanDerWaalsContact O-CG1 3.3Å; L379-I383 WeakPolarHBondContact O-CG1 3.44Å; L379-I383 PolarHBondContact O-N 3.29Å; L380-I383 PolarHBondContact O-N 2.97Å; I383-Y386 WeakPolarHBondContact O-CB 3.4Å; I383-Y386 PolarHBondContact O-N 3.4Å; I383-Y387 HydrophobicContact CG2-CD2 4.12Å; I383-Y387 HydrophobicContact CG2-CE2 3.98Å; I383-Y387 VanDerWaalsContact O-CD2 3.23Å; I383-Y387 WeakPolarHBondContact O-CD2 3.2Å; I383-Y387 PolarHBondContact O-N 3.06Å; I383-F413 HydrophobicContact CD1-CZ 4.2Å; I383-F413 HydrophobicContact CG2-CE1 4.45Å; I383-F413 HydrophobicContact CG2-CZ 4.36Å; I383-F459 HydrophobicContact CG2-CE2 4.15Å |
| 384 | N | 89.1 | Confident | 77.8 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 175 | 176.9 | 43.9 | 0 | 0 | 0 | 111.6 | L380 A381 N382 Y386 Y387 A388 F458 F459 V463 | L380-N384 VanDerWaalsContact O-CB 3.25Å; L380-N384 WeakPolarHBondContact O-CB 3.49Å; L380-N384 PolarHBondContact O-N 2.99Å; A381-N384 WeakPolarHBondContact O-CB 3.29Å; A381-N384 PolarHBondContact O-N 3.4Å; N382-N384 VanDerWaalsContact C-N 3.3Å; N382-N384 PolarHBondContact O-N 3.18Å; N384-Y386 VanDerWaalsContact C-N 3.29Å; N384-Y386 PolarHBondContact O-N 3.45Å; N384-Y387 PolarHBondContact O-N 3.45Å; N384-A388 WeakPolarHBondContact O-CB 3.45Å; N384-A388 PolarHBondContact O-N 3.27Å; N384-F458 WeakPolarHBondContact ND2-CD1 3.4Å; N384-F458 WeakPolarHBondContact ND2-CE1 3.48Å; N384-F459 HydrophobicContact CB-CD2 4.05Å; N384-V463 HydrophobicContact CB-CG2 4.45Å; N384-V463 WeakPolarHBondContact OD1-CG2 3.37Å |
| 385 | A | 87.6 | Confident | 76 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A381 N382 Y387 A388 H389 | A381-A385 WeakPolarHBondContact O-CB 3.42Å; A381-A385 PolarHBondContact O-N 3.07Å; N382-A385 PolarHBondContact O-N 2.88Å; A385-Y387 PolarHBondContact O-N 2.8Å; A385-A388 PolarHBondContact O-N 3.09Å; A385-H389 WeakPolarHBondContact O-CA 3.41Å; A385-H389 WeakPolarHBondContact O-CB 3.41Å; A385-H389 PolarHBondContact O-N 3Å |
| 386 | Y | 85.4 | Confident | 74.4 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175.7 | -177.1 | -91.2 | 0 | 0 | 0 | 111.9 | I353 N382 I383 N384 T390 | I353-Y386 HydrophobicContact CB-CD1 4.18Å; I353-Y386 HydrophobicContact CB-CE1 3.89Å; I353-Y386 HydrophobicContact CB-CE2 4.41Å; I353-Y386 HydrophobicContact CD1-CD1 3.75Å; I353-Y386 HydrophobicContact CD1-CD2 4.5Å; I353-Y386 HydrophobicContact CD1-CE1 4.35Å; I353-Y386 HydrophobicContact CD1-CG 3.84Å; I353-Y386 HydrophobicContact CG1-CD1 3.65Å; I353-Y386 HydrophobicContact CG1-CE1 3.76Å; I353-Y386 HydrophobicContact CG1-CG 4.18Å; I353-Y386 HydrophobicContact CG2-CE1 3.91Å; N382-Y386 WeakPolarHBondContact O-CB 3.34Å; N382-Y386 PolarHBondContact O-N 3.13Å; I383-Y386 WeakPolarHBondContact O-CB 3.4Å; I383-Y386 PolarHBondContact O-N 3.4Å; N384-Y386 VanDerWaalsContact C-N 3.29Å; N384-Y386 PolarHBondContact O-N 3.45Å; Y386-T390 HydrophobicContact CD2-CG2 4.36Å; Y386-T390 HydrophobicContact CE2-CG2 4.39Å; Y386-T390 WeakPolarHBondContact O-CB 3.29Å; Y386-T390 WeakPolarHBondContact O-CG2 3.49Å; Y386-T390 PolarHBondContact O-OG1 3.5Å |
| 387 | Y | 84.9 | Confident | 73.2 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -80.6 | -29 | -179.9 | -67.7 | -72.7 | 0 | 0 | 0 | 113.4 | I353 M357 I383 N384 A385 R402 F403 S406 | I353-Y387 HydrophobicContact CD1-CE2 4.01Å; I353-Y387 HydrophobicContact CG1-CE2 3.82Å; I353-Y387 WeakPolarHBondContact CG1-OH 3.41Å; M357-Y387 HydrophobicContact SD-CE2 4.08Å; M357-Y387 PolarHBondContact SD-OH 3.48Å; M357-Y387 VanDerWaalsContact SD-OH 3.39Å; I383-Y387 HydrophobicContact CG2-CD2 4.12Å; I383-Y387 HydrophobicContact CG2-CE2 3.98Å; I383-Y387 VanDerWaalsContact O-CD2 3.23Å; I383-Y387 WeakPolarHBondContact O-CD2 3.2Å; I383-Y387 PolarHBondContact O-N 3.06Å; N384-Y387 PolarHBondContact O-N 3.45Å; A385-Y387 PolarHBondContact O-N 2.8Å; Y387-R402 HydrophobicContact CD1-CB 4.45Å; Y387-R402 VanDerWaalsContact O-CZ 3.24Å; Y387-R402 PolarHBondContact O-NE 3Å; Y387-R402 PolarHBondContact O-NH2 2.89Å; Y387-F403 HydrophobicContact CD1-CB 4.13Å; Y387-F403 HydrophobicContact CD1-CD2 4.28Å; Y387-F403 AromaticContact CD2-CD2 3.89Å; Y387-F403 HydrophobicContact CD2-CD2 3.89Å; Y387-F403 HydrophobicContact CE1-CD2 4.19Å; Y387-F403 AromaticContact CE2-CD2 3.8Å; Y387-F403 HydrophobicContact CE2-CD2 3.8Å; Y387-F403 HydrophobicContact CE2-CE2 4.26Å; Y387-F403 HydrophobicContact CG-CB 4.3Å; Y387-F403 HydrophobicContact CG-CD2 4.14Å; Y387-F403 AromaticContact CZ-CD2 3.95Å; Y387-S406 WeakPolarHBondContact OH-CB 3.38Å; Y387-S406 PolarHBondContact OH-OG 2.89Å |
| 388 | A | 78.3 | Confident | 72.3 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -85.9 | -32.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N384 A385 | N384-A388 WeakPolarHBondContact O-CB 3.45Å; N384-A388 PolarHBondContact O-N 3.27Å; A385-A388 PolarHBondContact O-N 3.09Å |
| 389 | H | 67.4 | Low | 71.8 | Confident | 151 Ų | 151 | 56.9 Ų | 56.9 | 70% | 0.699 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -125.6 | 15.9 | -166.5 | -66.4 | -61.1 | 0 | 0 | 0 | 115.4 | A385 T391 | A385-H389 WeakPolarHBondContact O-CA 3.41Å; A385-H389 WeakPolarHBondContact O-CB 3.41Å; A385-H389 PolarHBondContact O-N 3Å; H389-T391 PolarHBondContact O-N 2.83Å |
| 390 | T | 54.3 | Low | 71.4 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | trans | -59.9 | 99.2 | 178.6 | 16.2 | 0 | 0 | 0 | 0 | 112.3 | Y386 | Y386-T390 HydrophobicContact CD2-CG2 4.36Å; Y386-T390 HydrophobicContact CE2-CG2 4.39Å; Y386-T390 WeakPolarHBondContact O-CB 3.29Å; Y386-T390 WeakPolarHBondContact O-CG2 3.49Å; Y386-T390 PolarHBondContact O-OG1 3.5Å | ||
| 391 | T | 42.7 | Very low | 70.6 | Confident | 106 Ų | 106 | 60.3 Ų | 60.3 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | trans | 22.4 | 107.4 | 163.3 | 49.1 | 0 | 0 | 0 | 0 | 119.7 | H389 S393 | H389-T391 PolarHBondContact O-N 2.83Å; T391-S393 PolarHBondContact O-N 3.16Å | ||
| 392 | Q | 38.1 | Very low | 70.1 | Confident | 203 Ų | 203 | 61.2 Ų | 61.2 | 95% | 0.949 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 31 | -3.1 | 139.5 | -73.5 | -177.8 | -9.8 | 0 | 0 | 123.4 | ||
| 393 | S | 40.7 | Very low | 69.8 | Low | 67 Ų | 67 | 59 Ų | 59 | 47% | 0.469 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -125 | 1.5 | -179.2 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | T391 | T391-S393 PolarHBondContact O-N 3.16Š|
| 394 | S | 48 | Very low | 69.4 | Low | 37 Ų | 37 | 60.6 Ų | 60.6 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | trans | -137.4 | 50.7 | -170.4 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | N396 | S394-N396 PolarHBondContact O-N 2.94Š| ||
| 395 | N | 52 | Low | 68.9 | Low | 153 Ų | 153 | 60.8 Ų | 60.8 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 12.6 | -176.9 | -87.6 | -2.4 | 0 | 0 | 0 | 116.6 | ||
| 396 | N | 58 | Low | 68.8 | Low | 100 Ų | 100 | 59.5 Ų | 59.5 | 54% | 0.535 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 3.8 | -168.6 | -69.6 | -2.3 | 0 | 0 | 0 | 115.8 | S394 | S394-N396 PolarHBondContact O-N 2.94Š|
| 397 | V | 67.9 | Low | 68.7 | Low | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -127.3 | 141.7 | -177.3 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | D401 R402 | V397-D401 HydrophobicContact CG1-CB 3.52Å; V397-R402 HydrophobicContact CB-CG 4.38Å; V397-R402 HydrophobicContact CG1-CG 4.09Å; V397-R402 PolarHBondContact O-NH1 3.49Å |
| 398 | S | 75.3 | Confident | 68.9 | Low | 32 Ų | 32 | 57.6 Ų | 57.6 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | trans | -66.1 | 158.7 | 175.6 | 80 | 0 | 0 | 0 | 0 | 111.6 | S400 D401 R402 E465 | S398-S400 VanDerWaalsContact C-N 3.29Å; S398-D401 PolarHBondContact O-N 2.92Å; S398-D401 WeakPolarHBondContact OG-CB 3.35Å; S398-D401 PolarHBondContact OG-N 3.43Å; S398-D401 PolarHBondContact OG-OD2 3.35Å; S398-R402 PolarHBondContact O-N 3.33Å; S398-E465 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 399 | A | 79.7 | Confident | 69.1 | Low | 7 Ų | 7 | 57.5 Ų | 57.5 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D401 R402 F403 K462 V463 E465 | A399-D401 VanDerWaalsContact C-N 3.32Å; A399-D401 PolarHBondContact O-N 2.58Å; A399-R402 PolarHBondContact O-N 3.17Å; A399-F403 WeakPolarHBondContact O-CB 3.36Å; A399-F403 PolarHBondContact O-N 3.5Å; A399-K462 WeakPolarHBondContact CB-O 3.27Å; A399-V463 CarbonylContact C-O 3.51Å; A399-E465 PolarHBondContact N-OE1 3.3Å |
| 400 | S | 83.4 | Confident | 69.9 | Low | 18 Ų | 18 | 54.1 Ų | 54.1 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 178.2 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | S398 F403 A404 K410 V463 | S398-S400 VanDerWaalsContact C-N 3.29Å; S400-F403 PolarHBondContact O-N 3.31Å; S400-A404 WeakPolarHBondContact O-CB 3.09Å; S400-A404 PolarHBondContact O-N 2.92Å; S400-K410 PolarHBondContact OG-NZ 3.39Å; S400-V463 WeakPolarHBondContact CA-O 3.31Å; S400-V463 VanDerWaalsContact CB-O 3.31Å; S400-V463 WeakPolarHBondContact CB-O 3.16Å; S400-V463 PolarHBondContact N-O 2.89Å; S400-V463 VanDerWaalsContact N-O 3.08Å |
| 401 | D | 77.2 | Confident | 71.5 | Confident | 61 Ų | 61 | 58 Ų | 58 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.9 | -45.2 | 175.8 | -75.3 | -35.6 | 0 | 0 | 0 | 111.9 | Q165 V397 S398 A399 F403 A404 A405 | Q165-D401 PolarHBondContact NE2-OD1 3.44Å; Q165-D401 VanDerWaalsContact NE2-OD1 3.1Å; V397-D401 HydrophobicContact CG1-CB 3.52Å; S398-D401 PolarHBondContact O-N 2.92Å; S398-D401 WeakPolarHBondContact OG-CB 3.35Å; S398-D401 PolarHBondContact OG-N 3.43Å; S398-D401 PolarHBondContact OG-OD2 3.35Å; A399-D401 VanDerWaalsContact C-N 3.32Å; A399-D401 PolarHBondContact O-N 2.58Å; D401-F403 PolarHBondContact O-N 3.09Å; D401-A404 WeakPolarHBondContact O-CA 3.38Å; D401-A404 WeakPolarHBondContact O-CB 3.39Å; D401-A404 PolarHBondContact O-N 3.41Å; D401-A405 PolarHBondContact O-N 3.02Å; D401-A405 VanDerWaalsContact O-N 3.16Å |
| 402 | R | 79.6 | Confident | 73.6 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 24% | 0.242 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -38.9 | 172.6 | -72.9 | -166.8 | -63.7 | -84.2 | -1.2 | 112 | Y387 V397 S398 A399 A405 | Y387-R402 HydrophobicContact CD1-CB 4.45Å; Y387-R402 VanDerWaalsContact O-CZ 3.24Å; Y387-R402 PolarHBondContact O-NE 3Å; Y387-R402 PolarHBondContact O-NH2 2.89Å; V397-R402 HydrophobicContact CB-CG 4.38Å; V397-R402 HydrophobicContact CG1-CG 4.09Å; V397-R402 PolarHBondContact O-NH1 3.49Å; S398-R402 PolarHBondContact O-N 3.33Å; A399-R402 PolarHBondContact O-N 3.17Å; R402-A405 PolarHBondContact O-N 2.65Å |
| 403 | F | 85.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.3 | -31.4 | 175.9 | 179.5 | -113.5 | 0 | 0 | 0 | 112.8 | M357 Y387 A399 S400 D401 A405 S406 K410 F413 V414 F459 V463 | M357-F403 HydrophobicContact CE-CE2 3.84Å; M357-F403 HydrophobicContact CE-CZ 4.49Å; Y387-F403 HydrophobicContact CD1-CB 4.13Å; Y387-F403 HydrophobicContact CD1-CD2 4.28Å; Y387-F403 AromaticContact CD2-CD2 3.89Å; Y387-F403 HydrophobicContact CD2-CD2 3.89Å; Y387-F403 HydrophobicContact CE1-CD2 4.19Å; Y387-F403 AromaticContact CE2-CD2 3.8Å; Y387-F403 HydrophobicContact CE2-CD2 3.8Å; Y387-F403 HydrophobicContact CE2-CE2 4.26Å; Y387-F403 HydrophobicContact CG-CB 4.3Å; Y387-F403 HydrophobicContact CG-CD2 4.14Å; Y387-F403 AromaticContact CZ-CD2 3.95Å; A399-F403 WeakPolarHBondContact O-CB 3.36Å; A399-F403 PolarHBondContact O-N 3.5Å; S400-F403 PolarHBondContact O-N 3.31Å; D401-F403 PolarHBondContact O-N 3.09Å; F403-A405 PolarHBondContact O-N 3.03Å; F403-S406 WeakPolarHBondContact O-CB 3.36Å; F403-S406 PolarHBondContact O-N 3.48Å; F403-K410 HydrophobicContact CD1-CG 4.01Å; F403-K410 HydrophobicContact CE1-CB 4.3Å; F403-K410 HydrophobicContact CE1-CG 3.83Å; F403-F413 HydrophobicContact CE2-CD1 4.01Å; F403-F413 HydrophobicContact CZ-CB 3.99Å; F403-F413 AromaticContact CZ-CD1 3.71Å; F403-F413 HydrophobicContact CZ-CD1 3.71Å; F403-F413 HydrophobicContact CZ-CG 4.23Å; F403-V414 HydrophobicContact CE1-CG2 3.92Å; F403-V414 HydrophobicContact CZ-CG2 4.46Å; F403-F459 HydrophobicContact CD2-CZ 4.11Å; F403-F459 HydrophobicContact CE1-CE1 4.35Å; F403-F459 HydrophobicContact CE1-CZ 4.18Å; F403-F459 AromaticContact CE2-CZ 3.71Å; F403-F459 HydrophobicContact CE2-CZ 3.71Å; F403-F459 HydrophobicContact CZ-CE1 4.19Å; F403-F459 AromaticContact CZ-CZ 3.75Å; F403-F459 HydrophobicContact CZ-CZ 3.75Å; F403-V463 HydrophobicContact CB-CG1 3.49Å; F403-V463 VanDerWaalsContact CB-CG1 3.49Å; F403-V463 HydrophobicContact CD1-CG1 4.02Å; F403-V463 HydrophobicContact CD2-CG1 4.03Å; F403-V463 HydrophobicContact CG-CG1 3.57Å |
| 404 | A | 82.4 | Confident | 78.5 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -28.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S400 D401 S406 K410 | S400-A404 WeakPolarHBondContact O-CB 3.09Å; S400-A404 PolarHBondContact O-N 2.92Å; D401-A404 WeakPolarHBondContact O-CA 3.38Å; D401-A404 WeakPolarHBondContact O-CB 3.39Å; D401-A404 PolarHBondContact O-N 3.41Å; A404-S406 PolarHBondContact O-N 2.68Å; A404-K410 HydrophobicContact CB-CD 3.9Å |
| 405 | A | 78.7 | Confident | 80.6 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 9.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | W261 D401 R402 F403 | W261-A405 HydrophobicContact CB-CB 4.06Å; W261-A405 WeakPolarHBondContact CB-O 3.42Å; W261-A405 HydrophobicContact CD2-CB 3.63Å; W261-A405 HydrophobicContact CE3-CB 3.96Å; W261-A405 HydrophobicContact CG-CB 3.7Å; D401-A405 PolarHBondContact O-N 3.02Å; D401-A405 VanDerWaalsContact O-N 3.16Å; R402-A405 PolarHBondContact O-N 2.65Å; F403-A405 PolarHBondContact O-N 3.03Å |
| 406 | S | 84.9 | Confident | 82.5 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | trans | -74.6 | 128.1 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | Y387 F403 A404 F408 G409 | Y387-S406 WeakPolarHBondContact OH-CB 3.38Å; Y387-S406 PolarHBondContact OH-OG 2.89Å; F403-S406 WeakPolarHBondContact O-CB 3.36Å; F403-S406 PolarHBondContact O-N 3.48Å; A404-S406 PolarHBondContact O-N 2.68Å; S406-F408 PolarHBondContact O-N 3.49Å; S406-F408 PolarHBondContact OG-N 3.23Å; S406-G409 PolarHBondContact O-N 2.57Å | ||
| 407 | N | 84.6 | Confident | 84.1 | Confident | 34 Ų | 34 | 38 Ų | 38 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.4 | 176.9 | -61.1 | -48.3 | 0 | 0 | 0 | 113.7 | V260 W261 E351 Y354 G409 | V260-N407 WeakPolarHBondContact CA-OD1 3.32Å; V260-N407 WeakPolarHBondContact CG1-OD1 3.29Å; W261-N407 PolarHBondContact N-OD1 3.42Å; W261-N407 PolarHBondContact O-ND2 2.91Å; E351-N407 WeakPolarHBondContact OE1-CB 3.18Å; E351-N407 PolarHBondContact OE1-ND2 2.98Å; Y354-N407 HydrophobicContact CD2-CB 4.18Å; Y354-N407 HydrophobicContact CE2-CB 4.45Å; N407-G409 PolarHBondContact O-N 2.71Å |
| 408 | F | 87.5 | Confident | 85.2 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.3 | 170.4 | -172.1 | -89.5 | 0 | 0 | 0 | 111.8 | Y354 M357 A361 S406 R412 F413 | Y354-F408 HydrophobicContact CD2-CB 4.04Å; Y354-F408 HydrophobicContact CE2-CB 4.09Å; Y354-F408 HydrophobicContact CE2-CD2 4.26Å; M357-F408 HydrophobicContact CB-CB 4.29Å; M357-F408 HydrophobicContact CB-CD1 4.49Å; M357-F408 HydrophobicContact CB-CD2 3.89Å; M357-F408 HydrophobicContact CB-CE2 4.35Å; M357-F408 HydrophobicContact CB-CG 3.96Å; M357-F408 HydrophobicContact CE-CB 3.66Å; M357-F408 HydrophobicContact CE-CD1 3.76Å; M357-F408 HydrophobicContact CE-CG 3.86Å; M357-F408 HydrophobicContact SD-CB 4Å; A361-F408 HydrophobicContact CB-CZ 4.02Å; S406-F408 PolarHBondContact O-N 3.49Å; S406-F408 PolarHBondContact OG-N 3.23Å; F408-R412 HydrophobicContact CD1-CB 4.48Å; F408-R412 HydrophobicContact CD1-CG 4.44Å; F408-R412 HydrophobicContact CE1-CB 4.32Å; F408-R412 HydrophobicContact CE1-CG 3.88Å; F408-R412 HydrophobicContact CZ-CG 4.45Å; F408-R412 WeakPolarHBondContact O-CD 3.49Å; F408-F413 HydrophobicContact CD1-CB 3.78Å; F408-F413 AromaticContact CD1-CD2 3.93Å; F408-F413 HydrophobicContact CD1-CD2 3.93Å; F408-F413 HydrophobicContact CD1-CG 4.31Å; F408-F413 HydrophobicContact CE1-CB 3.88Å; F408-F413 AromaticContact CE1-CD2 3.68Å; F408-F413 HydrophobicContact CE1-CD2 3.68Å; F408-F413 HydrophobicContact CE1-CG 4.29Å; F408-F413 HydrophobicContact CZ-CD2 4.41Å |
| 409 | G | 83.9 | Confident | 85.9 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | trans | 95.2 | 118.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S406 N407 E411 R412 F413 | S406-G409 PolarHBondContact O-N 2.57Å; N407-G409 PolarHBondContact O-N 2.71Å; G409-E411 PolarHBondContact O-N 3.05Å; G409-R412 WeakPolarHBondContact O-CB 3.37Å; G409-R412 PolarHBondContact O-N 3.21Å; G409-F413 PolarHBondContact O-N 3.21Å; G409-F413 VanDerWaalsContact O-N 3.09Å | ||
| 410 | K | 84.1 | Confident | 86.6 | Confident | 79 Ų | 79 | 42.5 Ų | 42.5 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -50.9 | -58.6 | 177 | 176.8 | 175 | -179.3 | 167.7 | 0 | 111.7 | S400 F403 A404 R412 F413 V414 | S400-K410 PolarHBondContact OG-NZ 3.39Å; F403-K410 HydrophobicContact CD1-CG 4.01Å; F403-K410 HydrophobicContact CE1-CB 4.3Å; F403-K410 HydrophobicContact CE1-CG 3.83Å; A404-K410 HydrophobicContact CB-CD 3.9Å; K410-R412 VanDerWaalsContact C-N 3.26Å; K410-R412 PolarHBondContact O-N 3.29Å; K410-F413 PolarHBondContact O-N 3.15Å; K410-V414 VanDerWaalsContact O-CG2 3.25Å; K410-V414 WeakPolarHBondContact O-CG2 3.44Å; K410-V414 PolarHBondContact O-N 2.95Å |
| 411 | E | 86.8 | Confident | 87 | Confident | 132 Ų | 132 | 42.1 Ų | 42.1 | 62% | 0.617 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.1 | -36 | -177.7 | -68.1 | -167.2 | -168.6 | 0 | 0 | 113 | G409 K415 | G409-E411 PolarHBondContact O-N 3.05Å; E411-K415 WeakPolarHBondContact O-CB 3.41Å; E411-K415 VanDerWaalsContact O-CG 3.25Å; E411-K415 WeakPolarHBondContact O-CG 3.39Å; E411-K415 PolarHBondContact O-N 2.81Å; E411-K415 IonicContact OE2-NZ 3.91Å; E411-K415 PolarHBondContact OE2-NZ 3.44Å |
| 412 | R | 87.9 | Confident | 87.6 | Confident | 81 Ų | 81 | 42.9 Ų | 42.9 | 31% | 0.306 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -50.6 | -179.6 | -174.4 | -176.5 | 179.5 | -173.6 | -2 | 110.6 | F408 G409 K410 L416 | F408-R412 HydrophobicContact CD1-CB 4.48Å; F408-R412 HydrophobicContact CD1-CG 4.44Å; F408-R412 HydrophobicContact CE1-CB 4.32Å; F408-R412 HydrophobicContact CE1-CG 3.88Å; F408-R412 HydrophobicContact CZ-CG 4.45Å; F408-R412 WeakPolarHBondContact O-CD 3.49Å; G409-R412 WeakPolarHBondContact O-CB 3.37Å; G409-R412 PolarHBondContact O-N 3.21Å; K410-R412 VanDerWaalsContact C-N 3.26Å; K410-R412 PolarHBondContact O-N 3.29Å; R412-L416 WeakPolarHBondContact O-CB 3.37Å; R412-L416 PolarHBondContact O-N 3.35Å; R412-L416 VanDerWaalsContact O-N 3.09Å |
| 413 | F | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.9 | -35.3 | -179.7 | -163.7 | -106.3 | 0 | 0 | 0 | 112.5 | M357 F360 L380 I383 F403 F408 G409 K410 L416 L417 F459 | M357-F413 HydrophobicContact CB-CD2 4.32Å; M357-F413 HydrophobicContact CB-CE2 4.09Å; M357-F413 HydrophobicContact CE-CB 3.76Å; M357-F413 HydrophobicContact CE-CD1 3.92Å; M357-F413 HydrophobicContact CE-CD2 3.48Å; M357-F413 VanDerWaalsContact CE-CD2 3.48Å; M357-F413 HydrophobicContact CE-CE1 4.35Å; M357-F413 HydrophobicContact CE-CE2 3.98Å; M357-F413 HydrophobicContact CE-CG 3.45Å; M357-F413 VanDerWaalsContact CE-CG 3.45Å; M357-F413 HydrophobicContact CE-CZ 4.38Å; M357-F413 HydrophobicContact CG-CD2 4.42Å; M357-F413 HydrophobicContact CG-CE2 4.07Å; M357-F413 HydrophobicContact CG-CZ 4.45Å; F360-F413 AromaticContact CD1-CE2 3.71Å; F360-F413 HydrophobicContact CD1-CE2 3.71Å; F360-F413 AromaticContact CD1-CZ 3.89Å; F360-F413 HydrophobicContact CD1-CZ 3.89Å; F360-F413 HydrophobicContact CE1-CE2 4.34Å; F360-F413 HydrophobicContact CE1-CZ 4.21Å; F360-F413 HydrophobicContact CG-CE2 4.35Å; F360-F413 HydrophobicContact CG-CZ 4.42Å; L380-F413 HydrophobicContact CD1-CE1 4.07Å; L380-F413 HydrophobicContact CD1-CZ 3.98Å; I383-F413 HydrophobicContact CD1-CZ 4.2Å; I383-F413 HydrophobicContact CG2-CE1 4.45Å; I383-F413 HydrophobicContact CG2-CZ 4.36Å; F403-F413 HydrophobicContact CE2-CD1 4.01Å; F403-F413 HydrophobicContact CZ-CB 3.99Å; F403-F413 AromaticContact CZ-CD1 3.71Å; F403-F413 HydrophobicContact CZ-CD1 3.71Å; F403-F413 HydrophobicContact CZ-CG 4.23Å; F408-F413 HydrophobicContact CD1-CB 3.78Å; F408-F413 AromaticContact CD1-CD2 3.93Å; F408-F413 HydrophobicContact CD1-CD2 3.93Å; F408-F413 HydrophobicContact CD1-CG 4.31Å; F408-F413 HydrophobicContact CE1-CB 3.88Å; F408-F413 AromaticContact CE1-CD2 3.68Å; F408-F413 HydrophobicContact CE1-CD2 3.68Å; F408-F413 HydrophobicContact CE1-CG 4.29Å; F408-F413 HydrophobicContact CZ-CD2 4.41Å; G409-F413 PolarHBondContact O-N 3.21Å; G409-F413 VanDerWaalsContact O-N 3.09Å; K410-F413 PolarHBondContact O-N 3.15Å; F413-L416 HydrophobicContact CD2-CD2 4.08Å; F413-L416 HydrophobicContact CE2-CD2 4.27Å; F413-L416 WeakPolarHBondContact O-CB 3.42Å; F413-L416 PolarHBondContact O-N 2.72Å; F413-L417 HydrophobicContact CD1-CD1 3.76Å; F413-L417 HydrophobicContact CD1-CG 4.12Å; F413-L417 HydrophobicContact CE1-CD1 3.63Å; F413-L417 HydrophobicContact CE1-CD2 4.29Å; F413-L417 HydrophobicContact CE1-CG 3.99Å; F413-L417 HydrophobicContact CZ-CD2 4.47Å; F413-L417 WeakPolarHBondContact O-CG 3.3Å; F413-L417 PolarHBondContact O-N 3.08Å; F413-F459 HydrophobicContact CD1-CE1 4.33Å; F413-F459 HydrophobicContact CD1-CZ 4.03Å; F413-F459 HydrophobicContact CE1-CE1 4.3Å; F413-F459 HydrophobicContact CE1-CE2 4.13Å; F413-F459 AromaticContact CE1-CZ 3.86Å; F413-F459 HydrophobicContact CE1-CZ 3.86Å |
| 414 | V | 90.2 | Very high | 88.7 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | F403 K410 L416 L417 D418 | F403-V414 HydrophobicContact CE1-CG2 3.92Å; F403-V414 HydrophobicContact CZ-CG2 4.46Å; K410-V414 VanDerWaalsContact O-CG2 3.25Å; K410-V414 WeakPolarHBondContact O-CG2 3.44Å; K410-V414 PolarHBondContact O-N 2.95Å; V414-L416 PolarHBondContact O-N 2.9Å; V414-L417 PolarHBondContact O-N 2.92Å; V414-L417 VanDerWaalsContact O-N 3.16Å; V414-D418 PolarHBondContact O-N 2.92Å |
| 415 | K | 90.8 | Very high | 89.2 | Confident | 114 Ų | 114 | 46 Ų | 46 | 50% | 0.496 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59 | -37.5 | 175.4 | -75.3 | 168.1 | 179.5 | 158.5 | 0 | 111.9 | E411 D418 Q419 | E411-K415 WeakPolarHBondContact O-CB 3.41Å; E411-K415 VanDerWaalsContact O-CG 3.25Å; E411-K415 WeakPolarHBondContact O-CG 3.39Å; E411-K415 PolarHBondContact O-N 2.81Å; E411-K415 IonicContact OE2-NZ 3.91Å; E411-K415 PolarHBondContact OE2-NZ 3.44Å; K415-D418 PolarHBondContact O-N 2.56Å; K415-Q419 WeakPolarHBondContact O-CB 3.23Å; K415-Q419 VanDerWaalsContact O-CG 3.29Å; K415-Q419 WeakPolarHBondContact O-CG 3.4Å; K415-Q419 PolarHBondContact O-N 3.24Å |
| 416 | L | 92.8 | Very high | 89.9 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 174.4 | 179.8 | 74 | 0 | 0 | 0 | 111.8 | F360 A361 S364 R412 F413 V414 D418 Q419 L420 | F360-L416 HydrophobicContact CD1-CD2 4.08Å; F360-L416 HydrophobicContact CE1-CD2 4.39Å; A361-L416 HydrophobicContact CB-CD1 4.45Å; A361-L416 HydrophobicContact CB-CD2 3.61Å; S364-L416 WeakPolarHBondContact OG-CD1 3.45Å; R412-L416 WeakPolarHBondContact O-CB 3.37Å; R412-L416 PolarHBondContact O-N 3.35Å; R412-L416 VanDerWaalsContact O-N 3.09Å; F413-L416 HydrophobicContact CD2-CD2 4.08Å; F413-L416 HydrophobicContact CE2-CD2 4.27Å; F413-L416 WeakPolarHBondContact O-CB 3.42Å; F413-L416 PolarHBondContact O-N 2.72Å; V414-L416 PolarHBondContact O-N 2.9Å; L416-D418 VanDerWaalsContact C-N 3.31Å; L416-D418 PolarHBondContact O-N 2.93Å; L416-Q419 PolarHBondContact O-N 3.15Å; L416-L420 WeakPolarHBondContact O-CB 3.5Å; L416-L420 PolarHBondContact O-N 3.14Å |
| 417 | L | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 177.4 | -72 | 176.7 | 0 | 0 | 0 | 112.2 | F360 L380 F413 V414 L420 H421 I456 F459 | F360-L417 HydrophobicContact CE1-CD2 3.63Å; F360-L417 HydrophobicContact CZ-CD2 3.81Å; L380-L417 HydrophobicContact CD1-CD2 4.05Å; L380-L417 HydrophobicContact CD2-CD2 4.03Å; F413-L417 HydrophobicContact CD1-CD1 3.76Å; F413-L417 HydrophobicContact CD1-CG 4.12Å; F413-L417 HydrophobicContact CE1-CD1 3.63Å; F413-L417 HydrophobicContact CE1-CD2 4.29Å; F413-L417 HydrophobicContact CE1-CG 3.99Å; F413-L417 HydrophobicContact CZ-CD2 4.47Å; F413-L417 WeakPolarHBondContact O-CG 3.3Å; F413-L417 PolarHBondContact O-N 3.08Å; V414-L417 PolarHBondContact O-N 2.92Å; V414-L417 VanDerWaalsContact O-N 3.16Å; L417-L420 PolarHBondContact O-N 3.37Å; L417-H421 WeakPolarHBondContact O-CB 3.2Å; L417-H421 PolarHBondContact O-N 3.18Å; L417-I456 HydrophobicContact CB-CG2 4.43Å; L417-I456 HydrophobicContact CD2-CG1 4.16Å; L417-F459 HydrophobicContact CD1-CD1 3.45Å; L417-F459 VanDerWaalsContact CD1-CD1 3.45Å; L417-F459 HydrophobicContact CD1-CE1 3.56Å; L417-F459 HydrophobicContact CD1-CG 4.16Å; L417-F459 HydrophobicContact CD1-CZ 4.35Å |
| 418 | D | 90.3 | Very high | 90.7 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 177.1 | -66.2 | -18.8 | 0 | 0 | 0 | 111.9 | V414 K415 L416 N422 R460 | V414-D418 PolarHBondContact O-N 2.92Å; K415-D418 PolarHBondContact O-N 2.56Å; L416-D418 VanDerWaalsContact C-N 3.31Å; L416-D418 PolarHBondContact O-N 2.93Å; D418-N422 PolarHBondContact O-N 3.29Å; D418-N422 VanDerWaalsContact O-N 3.07Å; D418-N422 PolarHBondContact O-ND2 3.4Å; D418-R460 IonicContact OD1-CZ 3.7Å; D418-R460 IonicContact OD1-NE 2.79Å; D418-R460 PolarHBondContact OD1-NE 3.22Å; D418-R460 IonicContact OD1-NH2 2.69Å; D418-R460 PolarHBondContact OD1-NH2 3.47Å |
| 419 | Q | 90.9 | Very high | 91.1 | Very high | 98 Ų | 98 | 50.7 Ų | 50.7 | 46% | 0.458 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.1 | -50.6 | 173.7 | -75.3 | 168.4 | 7.9 | 0 | 0 | 111 | K415 L416 H421 N422 S423 | K415-Q419 WeakPolarHBondContact O-CB 3.23Å; K415-Q419 VanDerWaalsContact O-CG 3.29Å; K415-Q419 WeakPolarHBondContact O-CG 3.4Å; K415-Q419 PolarHBondContact O-N 3.24Å; L416-Q419 PolarHBondContact O-N 3.15Å; Q419-H421 PolarHBondContact O-N 3.32Å; Q419-N422 PolarHBondContact O-N 2.91Å; Q419-S423 WeakPolarHBondContact O-CB 3.39Å; Q419-S423 PolarHBondContact O-N 2.93Å; Q419-S423 PolarHBondContact O-OG 3.04Å |
| 420 | L | 93.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 178.3 | -179.1 | 62.4 | 0 | 0 | 0 | 111.7 | F360 Y367 M376 L416 L417 N422 S423 L424 L452 I456 | F360-L420 HydrophobicContact CE1-CD2 4.02Å; F360-L420 HydrophobicContact CZ-CD2 3.7Å; Y367-L420 HydrophobicContact CD1-CD1 4.21Å; Y367-L420 HydrophobicContact CD2-CD1 4.2Å; Y367-L420 HydrophobicContact CG-CD1 3.88Å; M376-L420 HydrophobicContact CE-CD1 4.33Å; M376-L420 HydrophobicContact CE-CD2 3.48Å; M376-L420 VanDerWaalsContact CE-CD2 3.48Å; L416-L420 WeakPolarHBondContact O-CB 3.5Å; L416-L420 PolarHBondContact O-N 3.14Å; L417-L420 PolarHBondContact O-N 3.37Å; L420-N422 VanDerWaalsContact C-N 3.33Å; L420-N422 PolarHBondContact O-N 3.37Å; L420-S423 PolarHBondContact O-N 2.81Å; L420-L424 HydrophobicContact CD1-CD1 4.36Å; L420-L424 HydrophobicContact CD1-CG 4.23Å; L420-L424 HydrophobicContact CG-CD1 4.06Å; L420-L424 HydrophobicContact CG-CG 4.38Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.35Å; L420-L424 PolarHBondContact O-N 2.97Å; L420-L452 HydrophobicContact CD2-CD2 4.35Å; L420-I456 HydrophobicContact CD2-CD1 3.94Å; L420-I456 HydrophobicContact CG-CD1 4.06Å |
| 421 | H | 91.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 176.7 | -177.9 | 90.5 | 0 | 0 | 0 | 112.1 | L417 Q419 R425 L453 I456 | L417-H421 WeakPolarHBondContact O-CB 3.2Å; L417-H421 PolarHBondContact O-N 3.18Å; Q419-H421 PolarHBondContact O-N 3.32Å; H421-R425 WeakPolarHBondContact O-CB 3.33Å; H421-R425 PolarHBondContact O-N 2.8Å; H421-L453 VanDerWaalsContact ND1-CD1 3.29Å; H421-L453 WeakPolarHBondContact ND1-CD1 3.49Å; H421-I456 HydrophobicContact CB-CG2 4.29Å |
| 422 | N | 91.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 177.5 | -75 | -24.7 | 0 | 0 | 0 | 112.2 | D418 Q419 L420 R425 I426 | D418-N422 PolarHBondContact O-N 3.29Å; D418-N422 VanDerWaalsContact O-N 3.07Å; D418-N422 PolarHBondContact O-ND2 3.4Å; Q419-N422 PolarHBondContact O-N 2.91Å; L420-N422 VanDerWaalsContact C-N 3.33Å; L420-N422 PolarHBondContact O-N 3.37Å; N422-R425 WeakPolarHBondContact O-CB 3.23Å; N422-R425 PolarHBondContact O-N 3.47Å; N422-I426 WeakPolarHBondContact O-CG1 3.25Å; N422-I426 PolarHBondContact O-N 3.09Å |
| 423 | S | 93.4 | Very high | 92.7 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61 | -49.9 | 175.3 | -71.8 | 0 | 0 | 0 | 0 | 112.1 | Y367 Q419 L420 R425 I426 D427 | Y367-S423 WeakPolarHBondContact OH-CB 3.11Å; Q419-S423 WeakPolarHBondContact O-CB 3.39Å; Q419-S423 PolarHBondContact O-N 2.93Å; Q419-S423 PolarHBondContact O-OG 3.04Å; L420-S423 PolarHBondContact O-N 2.81Å; S423-R425 VanDerWaalsContact C-N 3.25Å; S423-R425 PolarHBondContact O-N 3.42Å; S423-I426 WeakPolarHBondContact O-CB 3.28Å; S423-I426 PolarHBondContact O-N 3.46Å; S423-I426 VanDerWaalsContact O-N 3.08Å; S423-D427 PolarHBondContact O-N 3.19Å |
| 424 | L | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -40.1 | 175.1 | -64.4 | 168.5 | 0 | 0 | 0 | 111.5 | Y367 L420 I426 D427 L428 T449 L452 L453 I456 | Y367-L424 HydrophobicContact CD2-CD2 3.49Å; Y367-L424 VanDerWaalsContact CD2-CD2 3.49Å; Y367-L424 HydrophobicContact CD2-CG 4.37Å; Y367-L424 HydrophobicContact CE2-CD2 3.82Å; Y367-L424 HydrophobicContact CE2-CG 4.44Å; L420-L424 HydrophobicContact CD1-CD1 4.36Å; L420-L424 HydrophobicContact CD1-CG 4.23Å; L420-L424 HydrophobicContact CG-CD1 4.06Å; L420-L424 HydrophobicContact CG-CG 4.38Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.35Å; L420-L424 PolarHBondContact O-N 2.97Å; L424-I426 VanDerWaalsContact C-N 3.35Å; L424-I426 PolarHBondContact O-N 2.88Å; L424-D427 PolarHBondContact O-N 2.85Å; L424-L428 WeakPolarHBondContact O-CB 3.37Å; L424-L428 WeakPolarHBondContact O-CG 3.24Å; L424-L428 PolarHBondContact O-N 3.21Å; L424-T449 HydrophobicContact CD2-CG2 3.65Å; L424-L452 HydrophobicContact CD1-CD2 3.94Å; L424-L452 HydrophobicContact CD1-CG 3.96Å; L424-L452 HydrophobicContact CD2-CD2 4.19Å; L424-L453 HydrophobicContact CB-CD1 4.11Å; L424-L453 HydrophobicContact CD1-CD1 4.15Å; L424-I456 HydrophobicContact CD1-CD1 3.73Å |
| 425 | R | 93.8 | Very high | 93 | Very high | 122 Ų | 122 | 47 Ų | 47 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.2 | -164.4 | -173.3 | 75.3 | 177.2 | 2.6 | 112.1 | H421 N422 S423 S429 V475 C479 | H421-R425 WeakPolarHBondContact O-CB 3.33Å; H421-R425 PolarHBondContact O-N 2.8Å; N422-R425 WeakPolarHBondContact O-CB 3.23Å; N422-R425 PolarHBondContact O-N 3.47Å; S423-R425 VanDerWaalsContact C-N 3.25Å; S423-R425 PolarHBondContact O-N 3.42Å; R425-S429 PolarHBondContact O-N 3.25Å; R425-S429 VanDerWaalsContact O-N 3.08Å; R425-S429 PolarHBondContact O-OG 3.1Å; R425-V475 HydrophobicContact CG-CG1 4.04Å; R425-C479 WeakPolarHBondContact CG-SG 3.42Å; R425-C479 PolarHBondContact O-SG 3.1Å |
| 426 | I | 92.8 | Very high | 93.1 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 56% | 0.564 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.5 | -47 | 177.5 | -68.6 | 164.2 | 0 | 0 | 0 | 109.7 | N422 S423 L424 L428 S429 | N422-I426 WeakPolarHBondContact O-CG1 3.25Å; N422-I426 PolarHBondContact O-N 3.09Å; S423-I426 WeakPolarHBondContact O-CB 3.28Å; S423-I426 PolarHBondContact O-N 3.46Å; S423-I426 VanDerWaalsContact O-N 3.08Å; L424-I426 VanDerWaalsContact C-N 3.35Å; L424-I426 PolarHBondContact O-N 2.88Å; I426-L428 PolarHBondContact O-N 2.94Å; I426-S429 VanDerWaalsContact O-CB 3.32Å; I426-S429 WeakPolarHBondContact O-CB 3.49Å; I426-S429 PolarHBondContact O-N 2.82Å; I426-S429 VanDerWaalsContact O-N 3.07Å |
| 427 | D | 90.9 | Very high | 93.1 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 14% | 0.139 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.3 | -37.8 | -178.4 | -66.9 | -41.8 | 0 | 0 | 0 | 113 | Y367 M368 S423 L424 S429 M430 Y431 N434 | Y367-D427 WeakPolarHBondContact CE2-OD2 3.34Å; Y367-D427 PolarHBondContact OH-OD2 2.9Å; M368-D427 HydrophobicContact CE-CB 3.88Å; M368-D427 VanDerWaalsContact CE-OD2 3.31Å; M368-D427 WeakPolarHBondContact CE-OD2 3.4Å; M368-D427 HydrophobicContact SD-CB 4.13Å; S423-D427 PolarHBondContact O-N 3.19Å; L424-D427 PolarHBondContact O-N 2.85Å; D427-S429 PolarHBondContact O-N 3.38Å; D427-M430 CarbonylContact O-C 3.5Å; D427-M430 PolarHBondContact O-N 2.64Å; D427-M430 VanDerWaalsContact O-N 3.11Å; D427-Y431 PolarHBondContact O-N 3.43Å; D427-N434 PolarHBondContact O-ND2 3.14Å |
| 428 | L | 94.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -25.1 | 172.5 | -71.2 | 173.7 | 0 | 0 | 0 | 112.4 | L424 I426 M430 Y431 L446 T449 V450 L453 C479 | L424-L428 WeakPolarHBondContact O-CB 3.37Å; L424-L428 WeakPolarHBondContact O-CG 3.24Å; L424-L428 PolarHBondContact O-N 3.21Å; I426-L428 PolarHBondContact O-N 2.94Å; L428-M430 PolarHBondContact O-N 3.36Å; L428-Y431 WeakPolarHBondContact O-CB 3.43Å; L428-Y431 WeakPolarHBondContact O-CD1 3.49Å; L428-Y431 PolarHBondContact O-N 2.59Å; L428-L446 HydrophobicContact CD2-CD1 3.44Å; L428-L446 VanDerWaalsContact CD2-CD1 3.44Å; L428-T449 HydrophobicContact CD1-CG2 4.42Å; L428-T449 HydrophobicContact CD2-CG2 3.97Å; L428-T449 HydrophobicContact CG-CG2 4.11Å; L428-V450 HydrophobicContact CD1-CG2 4.14Å; L428-V450 HydrophobicContact CD2-CG2 3.94Å; L428-L453 HydrophobicContact CD1-CD2 4.15Å; L428-C479 HydrophobicContact CB-CB 3.79Å |
| 429 | S | 96 | Very high | 93.2 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.2 | 174 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | R425 I426 D427 C483 | R425-S429 PolarHBondContact O-N 3.25Å; R425-S429 VanDerWaalsContact O-N 3.08Å; R425-S429 PolarHBondContact O-OG 3.1Å; I426-S429 VanDerWaalsContact O-CB 3.32Å; I426-S429 WeakPolarHBondContact O-CB 3.49Å; I426-S429 PolarHBondContact O-N 2.82Å; I426-S429 VanDerWaalsContact O-N 3.07Å; D427-S429 PolarHBondContact O-N 3.38Å; S429-C483 WeakPolarHBondContact O-CA 3.44Å; S429-C483 WeakPolarHBondContact O-CB 3.31Å; S429-C483 PolarHBondContact O-N 2.53Å |
| 430 | M | 94.6 | Very high | 93.2 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 34% | 0.335 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 35.2 | 172.6 | -63.8 | -61.8 | -69.8 | 0 | 0 | 110.9 | D427 L428 R432 N433 N434 | D427-M430 CarbonylContact O-C 3.5Å; D427-M430 PolarHBondContact O-N 2.64Å; D427-M430 VanDerWaalsContact O-N 3.11Å; L428-M430 PolarHBondContact O-N 3.36Å; M430-R432 VanDerWaalsContact C-N 3.27Å; M430-R432 PolarHBondContact O-N 3.22Å; M430-R432 VanDerWaalsContact O-N 3.16Å; M430-N433 WeakPolarHBondContact CE-ND2 3.29Å; M430-N433 PolarHBondContact O-N 3.04Å; M430-N434 PolarHBondContact O-N 2.89Å |
| 431 | Y | 95.6 | Very high | 93 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.5 | -35.8 | -169.1 | 75.1 | -93.9 | 0 | 0 | 0 | 113.7 | D427 L428 N433 N434 F435 L446 V480 C483 D540 Y544 | D427-Y431 PolarHBondContact O-N 3.43Å; L428-Y431 WeakPolarHBondContact O-CB 3.43Å; L428-Y431 WeakPolarHBondContact O-CD1 3.49Å; L428-Y431 PolarHBondContact O-N 2.59Å; Y431-N433 VanDerWaalsContact C-N 3.29Å; Y431-N433 PolarHBondContact O-N 3.03Å; Y431-N434 PolarHBondContact O-N 2.62Å; Y431-F435 WeakPolarHBondContact O-CA 3.44Å; Y431-F435 WeakPolarHBondContact O-CB 3.49Å; Y431-F435 PolarHBondContact O-N 2.64Å; Y431-L446 HydrophobicContact CD2-CD2 4.35Å; Y431-V480 HydrophobicContact CD1-CG2 4.42Å; Y431-V480 HydrophobicContact CE1-CB 4.34Å; Y431-V480 HydrophobicContact CE1-CG1 4.22Å; Y431-V480 HydrophobicContact CE1-CG2 4.13Å; Y431-C483 HydrophobicContact CD1-CB 3.48Å; Y431-C483 VanDerWaalsContact CD1-CB 3.48Å; Y431-C483 WeakPolarHBondContact CD1-SG 3.28Å; Y431-C483 HydrophobicContact CE1-CB 3.5Å; Y431-C483 VanDerWaalsContact CE1-SG 3.58Å; Y431-D540 PolarHBondContact OH-OD1 3.49Å; Y431-Y544 AromaticContact CD2-CD1 3.73Å; Y431-Y544 HydrophobicContact CD2-CD1 3.73Å; Y431-Y544 AromaticContact CD2-CE1 3.69Å; Y431-Y544 HydrophobicContact CD2-CE1 3.69Å; Y431-Y544 HydrophobicContact CD2-CG 4.22Å; Y431-Y544 AromaticContact CE2-CD1 3.61Å; Y431-Y544 HydrophobicContact CE2-CD1 3.61Å; Y431-Y544 AromaticContact CE2-CD2 3.74Å; Y431-Y544 HydrophobicContact CE2-CD2 3.74Å; Y431-Y544 AromaticContact CE2-CE1 3.77Å; Y431-Y544 HydrophobicContact CE2-CE1 3.77Å; Y431-Y544 AromaticContact CE2-CE2 3.88Å; Y431-Y544 HydrophobicContact CE2-CE2 3.88Å; Y431-Y544 AromaticContact CE2-CG 3.6Å; Y431-Y544 HydrophobicContact CE2-CG 3.6Å; Y431-Y544 AromaticContact CE2-CZ 3.91Å |
| 432 | R | 94.3 | Very high | 93.1 | Very high | 23 Ų | 23 | 57.7 Ų | 57.7 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 179.8 | -168.8 | -173.5 | -54.1 | -71.7 | -8.3 | 112.1 | M430 E539 D540 Y544 | M430-R432 VanDerWaalsContact C-N 3.27Å; M430-R432 PolarHBondContact O-N 3.22Å; M430-R432 VanDerWaalsContact O-N 3.16Å; R432-E539 IonicContact CZ-OE1 3.48Å; R432-E539 IonicContact NH1-OE1 2.66Å; R432-E539 PolarHBondContact NH1-OE1 3.37Å; R432-D540 IonicContact CZ-OD1 3.98Å; R432-D540 VanDerWaalsContact CZ-OD1 3.23Å; R432-D540 IonicContact CZ-OD2 2.83Å; R432-D540 IonicContact NH1-OD1 3.07Å; R432-D540 PolarHBondContact NH1-OD1 3.3Å; R432-D540 IonicContact NH2-OD1 3.86Å; R432-D540 PolarHBondContact NH2-OD1 2.71Å; R432-D540 IonicContact NH2-OD2 3.85Å; R432-D540 PolarHBondContact NH2-OD2 2.78Å; R432-Y544 HydrophobicContact CG-CE2 4.45Å |
| 433 | N | 92.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 55.3 Ų | 55.3 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -79.6 | -42.1 | 179.3 | -72.4 | -0 | 0 | 0 | 0 | 111.4 | M430 Y431 | M430-N433 WeakPolarHBondContact CE-ND2 3.29Å; M430-N433 PolarHBondContact O-N 3.04Å; Y431-N433 VanDerWaalsContact C-N 3.29Å; Y431-N433 PolarHBondContact O-N 3.03Å |
| 434 | N | 92.6 | Very high | 93.2 | Very high | 58 Ų | 58 | 59 Ų | 59 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -77.4 | -29.4 | -176.3 | -68.6 | -14.9 | 0 | 0 | 0 | 112.7 | D427 M430 Y431 | D427-N434 PolarHBondContact O-ND2 3.14Å; M430-N434 PolarHBondContact O-N 2.89Å; Y431-N434 PolarHBondContact O-N 2.62Å |
| 435 | F | 94.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -131.2 | 71.7 | -175.9 | -51.2 | -81.1 | 0 | 0 | 0 | 110.8 | M368 Y431 A437 R442 D445 L446 T449 Y544 | M368-F435 HydrophobicContact CE-CZ 4.19Å; Y431-F435 WeakPolarHBondContact O-CA 3.44Å; Y431-F435 WeakPolarHBondContact O-CB 3.49Å; Y431-F435 PolarHBondContact O-N 2.64Å; F435-A437 PolarHBondContact O-N 3.02Å; F435-R442 VanDerWaalsContact CD1-O 3.3Å; F435-R442 WeakPolarHBondContact CD1-O 3.43Å; F435-D445 HydrophobicContact CD1-CB 4.16Å; F435-D445 HydrophobicContact CE1-CB 3.96Å; F435-L446 HydrophobicContact CB-CB 3.87Å; F435-L446 HydrophobicContact CB-CD2 4.26Å; F435-L446 HydrophobicContact CB-CG 4.48Å; F435-L446 HydrophobicContact CD1-CB 3.9Å; F435-L446 HydrophobicContact CD2-CB 4.12Å; F435-L446 HydrophobicContact CD2-CD1 3.77Å; F435-L446 HydrophobicContact CD2-CG 4.41Å; F435-L446 HydrophobicContact CE1-CB 4.45Å; F435-L446 HydrophobicContact CE2-CD1 4.06Å; F435-L446 HydrophobicContact CG-CB 3.7Å; F435-L446 HydrophobicContact CG-CD1 4.23Å; F435-L446 HydrophobicContact CG-CG 4.4Å; F435-T449 HydrophobicContact CZ-CG2 4.45Å; F435-Y544 WeakPolarHBondContact O-CE1 3.35Å; F435-Y544 PolarHBondContact O-OH 3.11Å |
| 436 | P | 94.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 29% | 0.292 | 29% | 0.292 | S | S | . | . | trans | -64.4 | 137.1 | -174.1 | 27.1 | -35.4 | 0 | 0 | 0 | 111.6 | S438 S439 | P436-S438 PolarHBondContact O-N 3.29Å; P436-S439 PolarHBondContact O-N 3.15Å | ||
| 437 | A | 92.8 | Very high | 93.3 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -18.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F435 S439 E539 Y544 | F435-A437 PolarHBondContact O-N 3.02Å; A437-S439 VanDerWaalsContact C-N 3.26Å; A437-S439 PolarHBondContact O-N 3.36Å; A437-E539 HydrophobicContact CB-CG 4.1Å; A437-Y544 HydrophobicContact CB-CE2 4.25Å; A437-Y544 PolarHBondContact N-OH 2.57Å |
| 438 | S | 91.9 | Very high | 93.5 | Very high | 108 Ų | 108 | 50.1 Ų | 50.1 | 76% | 0.755 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.9 | 175.5 | 57 | 0 | 0 | 0 | 0 | 114.1 | P436 | P436-S438 PolarHBondContact O-N 3.29Š|
| 439 | S | 92.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | trans | -113.6 | 108.3 | -179.2 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | P436 A437 E441 R442 L443 | P436-S439 PolarHBondContact O-N 3.15Å; A437-S439 VanDerWaalsContact C-N 3.26Å; A437-S439 PolarHBondContact O-N 3.36Å; S439-E441 VanDerWaalsContact C-N 3.26Å; S439-E441 PolarHBondContact O-N 2.97Å; S439-R442 PolarHBondContact O-N 3.06Å; S439-R442 PolarHBondContact OG-N 3.02Å; S439-L443 PolarHBondContact O-N 3.07Å | ||
| 440 | P | 91.4 | Very high | 93.4 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.6 | -34 | 177.3 | -25 | 34.7 | 0 | 0 | 0 | 113.5 | L443 Q444 | P440-L443 PolarHBondContact O-N 2.94Å; P440-Q444 PolarHBondContact O-N 3.23Å |
| 441 | E | 89.1 | Confident | 93.4 | Very high | 147 Ų | 147 | 47.6 Ų | 47.6 | 69% | 0.687 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64 | -45 | 177 | -65.3 | 177 | -177.3 | 0 | 0 | 110.8 | S439 L443 Q444 D445 | S439-E441 VanDerWaalsContact C-N 3.26Å; S439-E441 PolarHBondContact O-N 2.97Å; E441-L443 VanDerWaalsContact C-N 3.32Å; E441-L443 PolarHBondContact O-N 3.42Å; E441-Q444 WeakPolarHBondContact O-CB 3.44Å; E441-Q444 PolarHBondContact O-N 3.23Å; E441-Q444 VanDerWaalsContact O-N 3.12Å; E441-D445 PolarHBondContact O-N 3.49Å |
| 442 | R | 92.2 | Very high | 93.3 | Very high | 83 Ų | 83 | 47.5 Ų | 47.5 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.9 | -31.8 | 175.3 | -70.4 | -62.4 | -168 | 170.8 | 4.4 | 112.9 | M368 F435 S439 Q444 D445 L446 | M368-R442 PolarHBondContact O-NH1 3.21Å; F435-R442 VanDerWaalsContact CD1-O 3.3Å; F435-R442 WeakPolarHBondContact CD1-O 3.43Å; S439-R442 PolarHBondContact O-N 3.06Å; S439-R442 PolarHBondContact OG-N 3.02Å; R442-Q444 VanDerWaalsContact C-N 3.34Å; R442-D445 IonicContact NH1-OD2 2.91Å; R442-D445 WeakPolarHBondContact O-CB 3.45Å; R442-D445 PolarHBondContact O-N 3.09Å; R442-L446 PolarHBondContact O-N 3.4Å |
| 443 | L | 93.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 171.1 | -70.4 | 176.9 | 0 | 0 | 0 | 111.7 | S439 P440 E441 D445 L446 K447 Y544 C547 | S439-L443 PolarHBondContact O-N 3.07Å; P440-L443 PolarHBondContact O-N 2.94Å; E441-L443 VanDerWaalsContact C-N 3.32Å; E441-L443 PolarHBondContact O-N 3.42Å; L443-D445 VanDerWaalsContact C-N 3.32Å; L443-L446 HydrophobicContact CD2-CD2 4.44Å; L443-L446 WeakPolarHBondContact O-CB 3.44Å; L443-L446 PolarHBondContact O-N 2.89Å; L443-K447 PolarHBondContact O-N 3.24Å; L443-Y544 HydrophobicContact CD2-CD1 3.88Å; L443-Y544 HydrophobicContact CD2-CE1 3.69Å; L443-C547 PolarHBondContact O-SG 3.5Å |
| 444 | Q | 92.8 | Very high | 93.1 | Very high | 117 Ų | 117 | 42.9 Ų | 42.9 | 55% | 0.547 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 171.9 | -69.8 | -63.6 | -15.9 | 0 | 0 | 112.1 | P440 E441 R442 K447 S448 | P440-Q444 PolarHBondContact O-N 3.23Å; E441-Q444 WeakPolarHBondContact O-CB 3.44Å; E441-Q444 PolarHBondContact O-N 3.23Å; E441-Q444 VanDerWaalsContact O-N 3.12Å; R442-Q444 VanDerWaalsContact C-N 3.34Å; Q444-K447 WeakPolarHBondContact O-CB 3.21Å; Q444-K447 PolarHBondContact O-N 2.91Å; Q444-S448 WeakPolarHBondContact O-CB 3.5Å; Q444-S448 PolarHBondContact O-N 3.23Å; Q444-S448 PolarHBondContact O-OG 3.05Å |
| 445 | D | 92.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 172.9 | -67.7 | -29.2 | 0 | 0 | 0 | 111.6 | P370 G371 F435 E441 R442 L443 K447 S448 T449 | P370-D445 WeakPolarHBondContact CA-OD2 3.42Å; G371-D445 PolarHBondContact N-OD1 3.25Å; F435-D445 HydrophobicContact CD1-CB 4.16Å; F435-D445 HydrophobicContact CE1-CB 3.96Å; E441-D445 PolarHBondContact O-N 3.49Å; R442-D445 IonicContact NH1-OD2 2.91Å; R442-D445 WeakPolarHBondContact O-CB 3.45Å; R442-D445 PolarHBondContact O-N 3.09Å; L443-D445 VanDerWaalsContact C-N 3.32Å; D445-K447 PolarHBondContact O-N 2.84Å; D445-S448 PolarHBondContact O-N 3.29Å; D445-T449 VanDerWaalsContact O-CB 3.26Å; D445-T449 WeakPolarHBondContact O-CB 3.32Å; D445-T449 PolarHBondContact O-N 3Å; D445-T449 PolarHBondContact O-OG1 3.3Å |
| 446 | L | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 174.3 | 173 | 60 | 0 | 0 | 0 | 111.2 | L428 Y431 F435 R442 L443 S448 T449 V450 Y544 L548 | L428-L446 HydrophobicContact CD2-CD1 3.44Å; L428-L446 VanDerWaalsContact CD2-CD1 3.44Å; Y431-L446 HydrophobicContact CD2-CD2 4.35Å; F435-L446 HydrophobicContact CB-CB 3.87Å; F435-L446 HydrophobicContact CB-CD2 4.26Å; F435-L446 HydrophobicContact CB-CG 4.48Å; F435-L446 HydrophobicContact CD1-CB 3.9Å; F435-L446 HydrophobicContact CD2-CB 4.12Å; F435-L446 HydrophobicContact CD2-CD1 3.77Å; F435-L446 HydrophobicContact CD2-CG 4.41Å; F435-L446 HydrophobicContact CE1-CB 4.45Å; F435-L446 HydrophobicContact CE2-CD1 4.06Å; F435-L446 HydrophobicContact CG-CB 3.7Å; F435-L446 HydrophobicContact CG-CD1 4.23Å; F435-L446 HydrophobicContact CG-CG 4.4Å; R442-L446 PolarHBondContact O-N 3.4Å; L443-L446 HydrophobicContact CD2-CD2 4.44Å; L443-L446 WeakPolarHBondContact O-CB 3.44Å; L443-L446 PolarHBondContact O-N 2.89Å; L446-S448 VanDerWaalsContact C-N 3.34Å; L446-S448 PolarHBondContact O-N 3.45Å; L446-T449 WeakPolarHBondContact O-CB 3.38Å; L446-T449 PolarHBondContact O-N 3.37Å; L446-V450 PolarHBondContact O-N 3.27Å; L446-V450 VanDerWaalsContact O-N 3.09Å; L446-Y544 HydrophobicContact CD2-CD1 3.65Å; L446-Y544 HydrophobicContact CD2-CE1 4.04Å; L446-L548 HydrophobicContact CD1-CD2 4.33Å; L446-L548 HydrophobicContact CD2-CD2 4.41Å; L446-L548 HydrophobicContact CD2-CG 4.41Å; L446-L548 HydrophobicContact CG-CD2 3.97Å; L446-L548 HydrophobicContact CG-CG 4.49Å |
| 447 | K | 95 | Very high | 92.7 | Very high | 47 Ų | 47 | 39.6 Ų | 39.6 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -50.8 | 175.9 | -170.8 | -173.4 | -169.5 | 73.6 | 0 | 110.9 | L443 Q444 D445 T449 V450 D451 C547 N549 Q550 | L443-K447 PolarHBondContact O-N 3.24Å; Q444-K447 WeakPolarHBondContact O-CB 3.21Å; Q444-K447 PolarHBondContact O-N 2.91Å; D445-K447 PolarHBondContact O-N 2.84Å; K447-T449 VanDerWaalsContact C-N 3.3Å; K447-T449 PolarHBondContact O-N 2.74Å; K447-V450 PolarHBondContact O-N 3.15Å; K447-D451 VanDerWaalsContact O-CG 3.27Å; K447-D451 PolarHBondContact O-N 2.91Å; K447-C547 PolarHBondContact NZ-O 3.45Å; K447-N549 PolarHBondContact NZ-OD1 3.04Å; K447-Q550 VanDerWaalsContact CG-NE2 3.32Å; K447-Q550 PolarHBondContact O-NE2 3.19Å |
| 448 | S | 94.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -31 | -177.9 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | Q444 D445 L446 D451 L452 | Q444-S448 WeakPolarHBondContact O-CB 3.5Å; Q444-S448 PolarHBondContact O-N 3.23Å; Q444-S448 PolarHBondContact O-OG 3.05Å; D445-S448 PolarHBondContact O-N 3.29Å; L446-S448 VanDerWaalsContact C-N 3.34Å; L446-S448 PolarHBondContact O-N 3.45Å; S448-D451 PolarHBondContact O-N 3.34Å; S448-L452 WeakPolarHBondContact O-CB 3.32Å; S448-L452 PolarHBondContact O-N 3.08Å |
| 449 | T | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 173.5 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | L424 L428 F435 D445 L446 K447 L452 L453 | L424-T449 HydrophobicContact CD2-CG2 3.65Å; L428-T449 HydrophobicContact CD1-CG2 4.42Å; L428-T449 HydrophobicContact CD2-CG2 3.97Å; L428-T449 HydrophobicContact CG-CG2 4.11Å; F435-T449 HydrophobicContact CZ-CG2 4.45Å; D445-T449 VanDerWaalsContact O-CB 3.26Å; D445-T449 WeakPolarHBondContact O-CB 3.32Å; D445-T449 PolarHBondContact O-N 3Å; D445-T449 PolarHBondContact O-OG1 3.3Å; L446-T449 WeakPolarHBondContact O-CB 3.38Å; L446-T449 PolarHBondContact O-N 3.37Å; K447-T449 VanDerWaalsContact C-N 3.3Å; K447-T449 PolarHBondContact O-N 2.74Å; T449-L452 PolarHBondContact O-N 3.45Å; T449-L453 PolarHBondContact O-N 2.82Å |
| 450 | V | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -40.9 | 173.6 | 173 | 0 | 0 | 0 | 0 | 111 | L428 L446 K447 L452 L453 T454 V476 L548 Q550 F551 | L428-V450 HydrophobicContact CD1-CG2 4.14Å; L428-V450 HydrophobicContact CD2-CG2 3.94Å; L446-V450 PolarHBondContact O-N 3.27Å; L446-V450 VanDerWaalsContact O-N 3.09Å; K447-V450 PolarHBondContact O-N 3.15Å; V450-L452 VanDerWaalsContact C-N 3.33Å; V450-L452 PolarHBondContact O-N 3.42Å; V450-L453 WeakPolarHBondContact O-CB 3.45Å; V450-L453 PolarHBondContact O-N 2.95Å; V450-L453 VanDerWaalsContact O-N 3.1Å; V450-T454 HydrophobicContact CG1-CG2 4.4Å; V450-T454 WeakPolarHBondContact O-CG2 3.43Å; V450-T454 PolarHBondContact O-N 2.97Å; V450-V476 HydrophobicContact CG1-CG2 3.99Å; V450-V476 HydrophobicContact CG2-CG1 4.4Å; V450-V476 HydrophobicContact CG2-CG2 4.28Å; V450-L548 HydrophobicContact CB-CD2 4.11Å; V450-L548 HydrophobicContact CG2-CD2 3.54Å; V450-Q550 HydrophobicContact CG1-CG 4.26Å; V450-F551 HydrophobicContact CG1-CE2 4.33Å |
| 451 | D | 93.2 | Very high | 91.8 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.3 | -64.5 | -22.1 | 0 | 0 | 0 | 111.3 | K447 S448 L453 T454 S455 Q550 | K447-D451 VanDerWaalsContact O-CG 3.27Å; K447-D451 PolarHBondContact O-N 2.91Å; S448-D451 PolarHBondContact O-N 3.34Å; D451-L453 VanDerWaalsContact C-N 3.34Å; D451-L453 PolarHBondContact O-N 3.12Å; D451-T454 PolarHBondContact O-N 2.83Å; D451-T454 VanDerWaalsContact O-N 3.15Å; D451-T454 PolarHBondContact O-OG1 2.9Å; D451-S455 PolarHBondContact O-N 3.24Å; D451-S455 PolarHBondContact O-OG 3.46Å; D451-Q550 VanDerWaalsContact OD1-CG 3.23Å; D451-Q550 WeakPolarHBondContact OD1-CG 3.48Å; D451-Q550 PolarHBondContact OD1-NE2 3.01Å |
| 452 | L | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 173.4 | 177.1 | 58.7 | 0 | 0 | 0 | 111.7 | F360 M376 L380 L420 L424 S448 T449 V450 T454 S455 I456 | F360-L452 HydrophobicContact CE2-CD1 4.39Å; M376-L452 HydrophobicContact CB-CD1 3.87Å; M376-L452 HydrophobicContact CB-CD2 3.94Å; M376-L452 HydrophobicContact CE-CD2 4.39Å; M376-L452 HydrophobicContact SD-CD2 4.15Å; L380-L452 HydrophobicContact CD2-CD1 4.38Å; L420-L452 HydrophobicContact CD2-CD2 4.35Å; L424-L452 HydrophobicContact CD1-CD2 3.94Å; L424-L452 HydrophobicContact CD1-CG 3.96Å; L424-L452 HydrophobicContact CD2-CD2 4.19Å; S448-L452 WeakPolarHBondContact O-CB 3.32Å; S448-L452 PolarHBondContact O-N 3.08Å; T449-L452 PolarHBondContact O-N 3.45Å; V450-L452 VanDerWaalsContact C-N 3.33Å; V450-L452 PolarHBondContact O-N 3.42Å; L452-T454 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 3.37Å; L452-S455 WeakPolarHBondContact O-CB 3.26Å; L452-S455 PolarHBondContact O-N 3.48Å; L452-I456 HydrophobicContact CD1-CD1 4.41Å; L452-I456 HydrophobicContact CD1-CG1 4.37Å; L452-I456 HydrophobicContact CG-CD1 4.25Å; L452-I456 VanDerWaalsContact O-CG1 3.3Å; L452-I456 WeakPolarHBondContact O-CG1 3.26Å; L452-I456 PolarHBondContact O-N 2.67Å |
| 453 | L | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 175.2 | -164.7 | 75.8 | 0 | 0 | 0 | 111.4 | H421 L424 L428 T449 V450 D451 I456 T457 V475 V476 | H421-L453 VanDerWaalsContact ND1-CD1 3.29Å; H421-L453 WeakPolarHBondContact ND1-CD1 3.49Å; L424-L453 HydrophobicContact CB-CD1 4.11Å; L424-L453 HydrophobicContact CD1-CD1 4.15Å; L428-L453 HydrophobicContact CD1-CD2 4.15Å; T449-L453 PolarHBondContact O-N 2.82Å; V450-L453 WeakPolarHBondContact O-CB 3.45Å; V450-L453 PolarHBondContact O-N 2.95Å; V450-L453 VanDerWaalsContact O-N 3.1Å; D451-L453 VanDerWaalsContact C-N 3.34Å; D451-L453 PolarHBondContact O-N 3.12Å; L453-I456 PolarHBondContact O-N 2.77Å; L453-T457 PolarHBondContact O-N 3.42Å; L453-T457 PolarHBondContact O-OG1 3.36Å; L453-V475 HydrophobicContact CD2-CB 4.5Å; L453-V475 HydrophobicContact CD2-CG1 4.11Å; L453-V476 HydrophobicContact CD2-CG2 3.76Å |
| 454 | T | 91 | Very high | 90.8 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 24% | 0.239 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 174.9 | 75.5 | 0 | 0 | 0 | 0 | 112 | V450 D451 L452 I456 T457 F458 A472 F551 | V450-T454 HydrophobicContact CG1-CG2 4.4Å; V450-T454 WeakPolarHBondContact O-CG2 3.43Å; V450-T454 PolarHBondContact O-N 2.97Å; D451-T454 PolarHBondContact O-N 2.83Å; D451-T454 VanDerWaalsContact O-N 3.15Å; D451-T454 PolarHBondContact O-OG1 2.9Å; L452-T454 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 3.37Å; T454-I456 VanDerWaalsContact C-N 3.34Å; T454-I456 PolarHBondContact O-N 2.99Å; T454-T457 PolarHBondContact O-N 3.16Å; T454-F458 WeakPolarHBondContact O-CB 3.33Å; T454-F458 PolarHBondContact O-N 3.01Å; T454-A472 HydrophobicContact CG2-CB 4.14Å; T454-F551 HydrophobicContact CG2-CE1 4.38Å; T454-F551 HydrophobicContact CG2-CE2 4.16Å; T454-F551 HydrophobicContact CG2-CZ 3.5Å; T454-F551 VanDerWaalsContact CG2-CZ 3.5Å |
| 455 | S | 92 | Very high | 90.2 | Very high | 22 Ų | 22 | 30 Ų | 30 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 176.7 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | S377 D451 L452 F458 F459 | S377-S455 PolarHBondContact OG-OG 3.3Å; D451-S455 PolarHBondContact O-N 3.24Å; D451-S455 PolarHBondContact O-OG 3.46Å; L452-S455 WeakPolarHBondContact O-CB 3.26Å; L452-S455 PolarHBondContact O-N 3.48Å; S455-F458 PolarHBondContact O-N 3.07Å; S455-F459 WeakPolarHBondContact O-CB 3.42Å; S455-F459 PolarHBondContact O-N 3.42Å |
| 456 | I | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 173.3 | -63.9 | 167.3 | 0 | 0 | 0 | 110.5 | L380 L417 L420 H421 L424 L452 L453 T454 F458 F459 R460 | L380-I456 HydrophobicContact CD2-CB 4.33Å; L380-I456 HydrophobicContact CD2-CG1 3.61Å; L417-I456 HydrophobicContact CB-CG2 4.43Å; L417-I456 HydrophobicContact CD2-CG1 4.16Å; L420-I456 HydrophobicContact CD2-CD1 3.94Å; L420-I456 HydrophobicContact CG-CD1 4.06Å; H421-I456 HydrophobicContact CB-CG2 4.29Å; L424-I456 HydrophobicContact CD1-CD1 3.73Å; L452-I456 HydrophobicContact CD1-CD1 4.41Å; L452-I456 HydrophobicContact CD1-CG1 4.37Å; L452-I456 HydrophobicContact CG-CD1 4.25Å; L452-I456 VanDerWaalsContact O-CG1 3.3Å; L452-I456 WeakPolarHBondContact O-CG1 3.26Å; L452-I456 PolarHBondContact O-N 2.67Å; L453-I456 PolarHBondContact O-N 2.77Å; T454-I456 VanDerWaalsContact C-N 3.34Å; T454-I456 PolarHBondContact O-N 2.99Å; I456-F458 VanDerWaalsContact C-N 3.28Å; I456-F458 PolarHBondContact O-N 2.82Å; I456-F459 WeakPolarHBondContact O-CB 3.19Å; I456-F459 PolarHBondContact O-N 2.92Å; I456-R460 WeakPolarHBondContact O-CG 3.35Å; I456-R460 PolarHBondContact O-N 3.27Å |
| 457 | T | 87.6 | Confident | 88.5 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 177.5 | -64 | 0 | 0 | 0 | 0 | 111.7 | L453 T454 R460 M461 P469 P470 A472 | L453-T457 PolarHBondContact O-N 3.42Å; L453-T457 PolarHBondContact O-OG1 3.36Å; T454-T457 PolarHBondContact O-N 3.16Å; T457-R460 PolarHBondContact O-N 3.29Å; T457-M461 PolarHBondContact O-N 2.89Å; T457-P469 HydrophobicContact CG2-CB 4.32Å; T457-P469 HydrophobicContact CG2-CG 4.43Å; T457-P470 WeakPolarHBondContact CG2-O 3.35Å; T457-A472 HydrophobicContact CG2-CB 4.47Å |
| 458 | F | 87.5 | Confident | 87.3 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 177.4 | -167.3 | -107.8 | 0 | 0 | 0 | 112.2 | N384 T454 S455 I456 R460 M461 K462 | N384-F458 WeakPolarHBondContact ND2-CD1 3.4Å; N384-F458 WeakPolarHBondContact ND2-CE1 3.48Å; T454-F458 WeakPolarHBondContact O-CB 3.33Å; T454-F458 PolarHBondContact O-N 3.01Å; S455-F458 PolarHBondContact O-N 3.07Å; I456-F458 VanDerWaalsContact C-N 3.28Å; I456-F458 PolarHBondContact O-N 2.82Å; F458-R460 PolarHBondContact O-N 3.27Å; F458-M461 HydrophobicContact CD2-CE 3.62Å; F458-M461 HydrophobicContact CE2-CE 3.66Å; F458-M461 PolarHBondContact O-N 3.29Å; F458-K462 HydrophobicContact CD1-CG 4.13Å; F458-K462 HydrophobicContact CD2-CG 4.26Å; F458-K462 HydrophobicContact CE1-CG 3.75Å; F458-K462 HydrophobicContact CE2-CD 4.47Å; F458-K462 HydrophobicContact CE2-CG 3.88Å; F458-K462 HydrophobicContact CG-CG 4.38Å; F458-K462 HydrophobicContact CZ-CD 4.25Å; F458-K462 HydrophobicContact CZ-CG 3.61Å; F458-K462 WeakPolarHBondContact O-CB 3.3Å; F458-K462 PolarHBondContact O-N 3.32Å |
| 459 | F | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 172.2 | -178 | -84.8 | 0 | 0 | 0 | 111.5 | L380 I383 N384 F403 F413 L417 S455 I456 M461 K462 V463 Q464 | L380-F459 HydrophobicContact CD1-CD2 4Å; L380-F459 HydrophobicContact CD1-CG 4.35Å; I383-F459 HydrophobicContact CG2-CE2 4.15Å; N384-F459 HydrophobicContact CB-CD2 4.05Å; F403-F459 HydrophobicContact CD2-CZ 4.11Å; F403-F459 HydrophobicContact CE1-CE1 4.35Å; F403-F459 HydrophobicContact CE1-CZ 4.18Å; F403-F459 AromaticContact CE2-CZ 3.71Å; F403-F459 HydrophobicContact CE2-CZ 3.71Å; F403-F459 HydrophobicContact CZ-CE1 4.19Å; F403-F459 AromaticContact CZ-CZ 3.75Å; F403-F459 HydrophobicContact CZ-CZ 3.75Å; F413-F459 HydrophobicContact CD1-CE1 4.33Å; F413-F459 HydrophobicContact CD1-CZ 4.03Å; F413-F459 HydrophobicContact CE1-CE1 4.3Å; F413-F459 HydrophobicContact CE1-CE2 4.13Å; F413-F459 AromaticContact CE1-CZ 3.86Å; F413-F459 HydrophobicContact CE1-CZ 3.86Å; L417-F459 HydrophobicContact CD1-CD1 3.45Å; L417-F459 VanDerWaalsContact CD1-CD1 3.45Å; L417-F459 HydrophobicContact CD1-CE1 3.56Å; L417-F459 HydrophobicContact CD1-CG 4.16Å; L417-F459 HydrophobicContact CD1-CZ 4.35Å; S455-F459 WeakPolarHBondContact O-CB 3.42Å; S455-F459 PolarHBondContact O-N 3.42Å; I456-F459 WeakPolarHBondContact O-CB 3.19Å; I456-F459 PolarHBondContact O-N 2.92Å; F459-M461 VanDerWaalsContact C-N 3.28Å; F459-M461 PolarHBondContact O-N 3.48Å; F459-K462 PolarHBondContact O-N 3.26Å; F459-V463 HydrophobicContact CD1-CB 4.33Å; F459-V463 HydrophobicContact CD2-CB 4.14Å; F459-V463 HydrophobicContact CD2-CG2 3.65Å; F459-V463 HydrophobicContact CE1-CB 4.1Å; F459-V463 HydrophobicContact CE1-CG1 4.26Å; F459-V463 HydrophobicContact CE2-CB 3.9Å; F459-V463 HydrophobicContact CE2-CG1 3.98Å; F459-V463 HydrophobicContact CE2-CG2 3.62Å; F459-V463 HydrophobicContact CG-CB 4.34Å; F459-V463 HydrophobicContact CG-CG2 4.18Å; F459-V463 HydrophobicContact CZ-CB 3.87Å; F459-V463 HydrophobicContact CZ-CG1 3.72Å; F459-V463 HydrophobicContact CZ-CG2 4.14Å; F459-V463 WeakPolarHBondContact O-CA 3.34Å; F459-V463 WeakPolarHBondContact O-CB 3.22Å; F459-V463 PolarHBondContact O-N 3.02Å; F459-Q464 HydrophobicContact CE1-CG 4.27Å; F459-Q464 PolarHBondContact O-N 3.05Å |
| 460 | R | 88.6 | Confident | 85.6 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 175.4 | -64.9 | -171.3 | 175.1 | 148.3 | -2.3 | 112.1 | D418 I456 T457 F458 Q464 E465 L466 P469 | D418-R460 IonicContact OD1-CZ 3.7Å; D418-R460 IonicContact OD1-NE 2.79Å; D418-R460 PolarHBondContact OD1-NE 3.22Å; D418-R460 IonicContact OD1-NH2 2.69Å; D418-R460 PolarHBondContact OD1-NH2 3.47Å; I456-R460 WeakPolarHBondContact O-CG 3.35Å; I456-R460 PolarHBondContact O-N 3.27Å; T457-R460 PolarHBondContact O-N 3.29Å; F458-R460 PolarHBondContact O-N 3.27Å; R460-Q464 VanDerWaalsContact CG-OE1 3.27Å; R460-Q464 WeakPolarHBondContact O-CB 3.43Å; R460-E465 PolarHBondContact O-N 3.08Å; R460-L466 WeakPolarHBondContact O-CB 3.3Å; R460-L466 PolarHBondContact O-N 3.28Å; R460-P469 HydrophobicContact CB-CB 4.27Å |
| 461 | M | 84.8 | Confident | 85.2 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.5 | -44.8 | 179.1 | -167.3 | 177.5 | 68 | 0 | 0 | 112.9 | T457 F458 F459 P469 | T457-M461 PolarHBondContact O-N 2.89Å; F458-M461 HydrophobicContact CD2-CE 3.62Å; F458-M461 HydrophobicContact CE2-CE 3.66Å; F458-M461 PolarHBondContact O-N 3.29Å; F459-M461 VanDerWaalsContact C-N 3.28Å; F459-M461 PolarHBondContact O-N 3.48Å; M461-P469 HydrophobicContact CB-CG 3.96Å; M461-P469 HydrophobicContact CG-CG 4.29Å |
| 462 | K | 84.6 | Confident | 85 | Confident | 103 Ų | 103 | 54.5 Ų | 54.5 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -92.4 | -36.8 | -170.9 | -68.9 | -63.5 | -171.2 | -178.2 | 0 | 114.4 | A399 F458 F459 | A399-K462 WeakPolarHBondContact CB-O 3.27Å; F458-K462 HydrophobicContact CD1-CG 4.13Å; F458-K462 HydrophobicContact CD2-CG 4.26Å; F458-K462 HydrophobicContact CE1-CG 3.75Å; F458-K462 HydrophobicContact CE2-CD 4.47Å; F458-K462 HydrophobicContact CE2-CG 3.88Å; F458-K462 HydrophobicContact CG-CG 4.38Å; F458-K462 HydrophobicContact CZ-CD 4.25Å; F458-K462 HydrophobicContact CZ-CG 3.61Å; F458-K462 WeakPolarHBondContact O-CB 3.3Å; F458-K462 PolarHBondContact O-N 3.32Å; F459-K462 PolarHBondContact O-N 3.26Å |
| 463 | V | 84.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -46.7 | -177.2 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | N384 A399 S400 F403 F459 E465 | N384-V463 HydrophobicContact CB-CG2 4.45Å; N384-V463 WeakPolarHBondContact OD1-CG2 3.37Å; A399-V463 CarbonylContact C-O 3.51Å; S400-V463 WeakPolarHBondContact CA-O 3.31Å; S400-V463 VanDerWaalsContact CB-O 3.31Å; S400-V463 WeakPolarHBondContact CB-O 3.16Å; S400-V463 PolarHBondContact N-O 2.89Å; S400-V463 VanDerWaalsContact N-O 3.08Å; F403-V463 HydrophobicContact CB-CG1 3.49Å; F403-V463 VanDerWaalsContact CB-CG1 3.49Å; F403-V463 HydrophobicContact CD1-CG1 4.02Å; F403-V463 HydrophobicContact CD2-CG1 4.03Å; F403-V463 HydrophobicContact CG-CG1 3.57Å; F459-V463 HydrophobicContact CD1-CB 4.33Å; F459-V463 HydrophobicContact CD2-CB 4.14Å; F459-V463 HydrophobicContact CD2-CG2 3.65Å; F459-V463 HydrophobicContact CE1-CB 4.1Å; F459-V463 HydrophobicContact CE1-CG1 4.26Å; F459-V463 HydrophobicContact CE2-CB 3.9Å; F459-V463 HydrophobicContact CE2-CG1 3.98Å; F459-V463 HydrophobicContact CE2-CG2 3.62Å; F459-V463 HydrophobicContact CG-CB 4.34Å; F459-V463 HydrophobicContact CG-CG2 4.18Å; F459-V463 HydrophobicContact CZ-CB 3.87Å; F459-V463 HydrophobicContact CZ-CG1 3.72Å; F459-V463 HydrophobicContact CZ-CG2 4.14Å; F459-V463 WeakPolarHBondContact O-CA 3.34Å; F459-V463 WeakPolarHBondContact O-CB 3.22Å; F459-V463 PolarHBondContact O-N 3.02Å; V463-E465 PolarHBondContact O-N 3.48Å |
| 464 | Q | 83.8 | Confident | 84.8 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -78.8 | -11.1 | 177.3 | -56.4 | -179.4 | -35.5 | 0 | 0 | 113.1 | F459 R460 L466 | F459-Q464 HydrophobicContact CE1-CG 4.27Å; F459-Q464 PolarHBondContact O-N 3.05Å; R460-Q464 VanDerWaalsContact CG-OE1 3.27Å; R460-Q464 WeakPolarHBondContact O-CB 3.43Å; Q464-L466 PolarHBondContact O-N 3.37Å |
| 465 | E | 81.8 | Confident | 84.9 | Confident | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | trans | 54.8 | 33.9 | -177.7 | -62.3 | 175.8 | -177.4 | 0 | 0 | 112.4 | S398 A399 R460 V463 Q467 | S398-E465 WeakPolarHBondContact CB-OE1 3.45Å; A399-E465 PolarHBondContact N-OE1 3.3Å; R460-E465 PolarHBondContact O-N 3.08Å; V463-E465 PolarHBondContact O-N 3.48Å; E465-Q467 PolarHBondContact O-N 2.88Å | ||
| 466 | L | 82.4 | Confident | 85.1 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | trans | -67.1 | 127 | 177.7 | -137.6 | 104 | 0 | 0 | 0 | 109.3 | R460 Q464 S468 P469 | R460-L466 WeakPolarHBondContact O-CB 3.3Å; R460-L466 PolarHBondContact O-N 3.28Å; Q464-L466 PolarHBondContact O-N 3.37Å; L466-S468 VanDerWaalsContact C-N 3.31Å; L466-S468 PolarHBondContact O-N 3.05Å; L466-P469 HydrophobicContact CD2-CB 4.28Å; L466-P469 WeakPolarHBondContact O-CD 3.41Å | ||
| 467 | Q | 69.3 | Low | 85.3 | Confident | 201 Ų | 201 | 59.7 Ų | 59.7 | 94% | 0.939 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -68.6 | -27.4 | -171.1 | -159.1 | 173 | 7.6 | 0 | 0 | 113.6 | E465 | E465-Q467 PolarHBondContact O-N 2.88Š|
| 468 | S | 69.7 | Low | 85.7 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -151.3 | 74.5 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | L466 | L466-S468 VanDerWaalsContact C-N 3.31Å; L466-S468 PolarHBondContact O-N 3.05Å |
| 469 | P | 75.2 | Confident | 86.1 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 13% | 0.13 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 151.2 | 173 | 28.3 | -31.9 | 0 | 0 | 0 | 110.5 | T457 R460 M461 L466 R471 | T457-P469 HydrophobicContact CG2-CB 4.32Å; T457-P469 HydrophobicContact CG2-CG 4.43Å; R460-P469 HydrophobicContact CB-CB 4.27Å; M461-P469 HydrophobicContact CB-CG 3.96Å; M461-P469 HydrophobicContact CG-CG 4.29Å; L466-P469 HydrophobicContact CD2-CB 4.28Å; L466-P469 WeakPolarHBondContact O-CD 3.41Å; P469-R471 PolarHBondContact O-N 3.31Å; P469-R471 VanDerWaalsContact O-N 3.17Å |
| 470 | P | 78.6 | Confident | 86.4 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 40% | 0.403 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 123.4 | 177.1 | 20.8 | -30.3 | 0 | 0 | 0 | 110.2 | T457 A472 V475 | T457-P470 WeakPolarHBondContact CG2-O 3.35Å; P470-A472 PolarHBondContact O-N 3.5Å; P470-V475 HydrophobicContact CB-CG2 3.99Å |
| 471 | R | 85.4 | Confident | 86.8 | Confident | 158 Ų | 158 | 60.8 Ų | 60.8 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 123.5 | -176.5 | -163.2 | -177 | -174 | 142.4 | 4.9 | 109.1 | P469 S473 Q474 V475 E554 | P469-R471 PolarHBondContact O-N 3.31Å; P469-R471 VanDerWaalsContact O-N 3.17Å; R471-S473 VanDerWaalsContact C-N 3.26Å; R471-S473 WeakPolarHBondContact CD-OG 3.44Å; R471-S473 WeakPolarHBondContact CG-OG 3.5Å; R471-S473 PolarHBondContact O-N 3.06Å; R471-Q474 HydrophobicContact CB-CB 4.4Å; R471-Q474 PolarHBondContact O-N 3.22Å; R471-V475 PolarHBondContact O-N 3.3Å; R471-V475 VanDerWaalsContact O-N 3.15Å; R471-E554 IonicContact CZ-OE1 3.07Å; R471-E554 VanDerWaalsContact CZ-OE1 3.29Å; R471-E554 IonicContact CZ-OE2 3.93Å; R471-E554 VanDerWaalsContact CZ-OE2 3.32Å; R471-E554 IonicContact NE-OE1 3.62Å; R471-E554 IonicContact NE-OE2 2.73Å; R471-E554 PolarHBondContact NE-OE2 3.32Å; R471-E554 VanDerWaalsContact NH2-CD 3.34Å; R471-E554 IonicContact NH2-OE1 3.77Å; R471-E554 PolarHBondContact NH2-OE1 2.95Å; R471-E554 IonicContact NH2-OE2 3.06Å; R471-E554 PolarHBondContact NH2-OE2 3.02Å |
| 472 | A | 88.6 | Confident | 87.4 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.7 | -39.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T454 T457 P470 Q474 V475 V476 F551 | T454-A472 HydrophobicContact CG2-CB 4.14Å; T457-A472 HydrophobicContact CG2-CB 4.47Å; P470-A472 PolarHBondContact O-N 3.5Å; A472-Q474 VanDerWaalsContact C-N 3.31Å; A472-Q474 PolarHBondContact O-N 3.13Å; A472-V475 PolarHBondContact O-N 3.41Å; A472-V476 VanDerWaalsContact O-CG2 3.3Å; A472-V476 WeakPolarHBondContact O-CG2 3.47Å; A472-V476 PolarHBondContact O-N 3.42Å; A472-F551 HydrophobicContact CB-CE1 4.5Å; A472-F551 HydrophobicContact CB-CE2 4.41Å; A472-F551 HydrophobicContact CB-CZ 3.71Å |
| 473 | S | 91.6 | Very high | 88 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 176 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | R471 K477 E554 | R471-S473 VanDerWaalsContact C-N 3.26Å; R471-S473 WeakPolarHBondContact CD-OG 3.44Å; R471-S473 WeakPolarHBondContact CG-OG 3.5Å; R471-S473 PolarHBondContact O-N 3.06Å; S473-K477 VanDerWaalsContact O-CB 3.28Å; S473-K477 WeakPolarHBondContact O-CB 3.41Å; S473-K477 PolarHBondContact O-N 2.9Å; S473-E554 VanDerWaalsContact CB-OE2 3.28Å; S473-E554 WeakPolarHBondContact CB-OE2 3.5Å; S473-E554 PolarHBondContact OG-OE2 3.4Å |
| 474 | Q | 93 | Very high | 88.6 | Confident | 90 Ų | 90 | 53.8 Ų | 53.8 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.5 | -41.5 | 179.4 | -172.7 | 58.2 | 44.8 | 0 | 0 | 111.5 | R471 A472 V476 K477 D478 | R471-Q474 HydrophobicContact CB-CB 4.4Å; R471-Q474 PolarHBondContact O-N 3.22Å; A472-Q474 VanDerWaalsContact C-N 3.31Å; A472-Q474 PolarHBondContact O-N 3.13Å; Q474-V476 PolarHBondContact O-N 3.35Å; Q474-K477 WeakPolarHBondContact O-CB 3.3Å; Q474-K477 PolarHBondContact O-N 2.68Å; Q474-D478 PolarHBondContact NE2-OD1 3.22Å; Q474-D478 VanDerWaalsContact O-CG 3.24Å; Q474-D478 PolarHBondContact O-N 3.22Å |
| 475 | V | 93.3 | Very high | 89.2 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 176.1 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | R425 L453 P470 R471 A472 K477 D478 C479 | R425-V475 HydrophobicContact CG-CG1 4.04Å; L453-V475 HydrophobicContact CD2-CB 4.5Å; L453-V475 HydrophobicContact CD2-CG1 4.11Å; P470-V475 HydrophobicContact CB-CG2 3.99Å; R471-V475 PolarHBondContact O-N 3.3Å; R471-V475 VanDerWaalsContact O-N 3.15Å; A472-V475 PolarHBondContact O-N 3.41Å; V475-K477 VanDerWaalsContact C-N 3.33Å; V475-K477 PolarHBondContact O-N 2.9Å; V475-D478 PolarHBondContact O-N 2.63Å; V475-C479 PolarHBondContact O-N 3.02Å; V475-C479 PolarHBondContact O-SG 3.43Å; V475-C479 VanDerWaalsContact O-SG 3.32Å |
| 476 | V | 95.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.7 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | V450 L453 A472 Q474 D478 C479 V480 L555 | V450-V476 HydrophobicContact CG1-CG2 3.99Å; V450-V476 HydrophobicContact CG2-CG1 4.4Å; V450-V476 HydrophobicContact CG2-CG2 4.28Å; L453-V476 HydrophobicContact CD2-CG2 3.76Å; A472-V476 VanDerWaalsContact O-CG2 3.3Å; A472-V476 WeakPolarHBondContact O-CG2 3.47Å; A472-V476 PolarHBondContact O-N 3.42Å; Q474-V476 PolarHBondContact O-N 3.35Å; V476-D478 VanDerWaalsContact C-N 3.32Å; V476-D478 PolarHBondContact O-N 3.34Å; V476-C479 WeakPolarHBondContact O-CB 3.46Å; V476-C479 PolarHBondContact O-N 2.89Å; V476-V480 HydrophobicContact CG1-CG2 4.35Å; V476-V480 WeakPolarHBondContact O-CG2 3.36Å; V476-V480 PolarHBondContact O-N 3.42Å; V476-L555 HydrophobicContact CB-CD2 4.4Å; V476-L555 HydrophobicContact CG1-CD1 4.44Å; V476-L555 HydrophobicContact CG1-CD2 3.64Å |
| 477 | K | 95.3 | Very high | 90.5 | Very high | 54 Ų | 54 | 50 Ų | 50 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 175.6 | -176.4 | 169.5 | -175 | 175.1 | 0 | 112 | S473 Q474 V475 V480 K481 L555 I560 | S473-K477 VanDerWaalsContact O-CB 3.28Å; S473-K477 WeakPolarHBondContact O-CB 3.41Å; S473-K477 PolarHBondContact O-N 2.9Å; Q474-K477 WeakPolarHBondContact O-CB 3.3Å; Q474-K477 PolarHBondContact O-N 2.68Å; V475-K477 VanDerWaalsContact C-N 3.33Å; V475-K477 PolarHBondContact O-N 2.9Å; K477-V480 PolarHBondContact O-N 3.25Å; K477-K481 WeakPolarHBondContact O-CG 3.48Å; K477-K481 PolarHBondContact O-N 2.78Å; K477-L555 HydrophobicContact CB-CD1 3.72Å; K477-L555 HydrophobicContact CG-CD1 4.27Å; K477-I560 HydrophobicContact CD-CD1 4.26Å; K477-I560 HydrophobicContact CG-CD1 3.89Å |
| 478 | D | 95.4 | Very high | 91.8 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.4 | -39 | 178.9 | -64 | -22.2 | 0 | 0 | 0 | 111.7 | Q474 V475 V476 K481 A482 | Q474-D478 PolarHBondContact NE2-OD1 3.22Å; Q474-D478 VanDerWaalsContact O-CG 3.24Å; Q474-D478 PolarHBondContact O-N 3.22Å; V475-D478 PolarHBondContact O-N 2.63Å; V476-D478 VanDerWaalsContact C-N 3.32Å; V476-D478 PolarHBondContact O-N 3.34Å; D478-K481 PolarHBondContact O-N 3.29Å; D478-A482 PolarHBondContact O-N 3.49Å |
| 479 | C | 96.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 171.1 | -69.4 | 0 | 0 | 0 | 0 | 112.3 | R425 L428 V475 V476 K481 A482 C483 | R425-C479 WeakPolarHBondContact CG-SG 3.42Å; R425-C479 PolarHBondContact O-SG 3.1Å; L428-C479 HydrophobicContact CB-CB 3.79Å; V475-C479 PolarHBondContact O-N 3.02Å; V475-C479 PolarHBondContact O-SG 3.43Å; V475-C479 VanDerWaalsContact O-SG 3.32Å; V476-C479 WeakPolarHBondContact O-CB 3.46Å; V476-C479 PolarHBondContact O-N 2.89Å; C479-K481 VanDerWaalsContact C-N 3.31Å; C479-K481 PolarHBondContact O-N 3.25Å; C479-A482 WeakPolarHBondContact O-CB 3.48Å; C479-A482 PolarHBondContact O-N 2.91Å; C479-C483 PolarHBondContact O-N 2.94Å |
| 480 | V | 96.9 | Very high | 94 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 177.9 | 167.7 | 0 | 0 | 0 | 0 | 110.2 | Y431 V476 K477 A482 C483 L484 V557 I560 | Y431-V480 HydrophobicContact CD1-CG2 4.42Å; Y431-V480 HydrophobicContact CE1-CB 4.34Å; Y431-V480 HydrophobicContact CE1-CG1 4.22Å; Y431-V480 HydrophobicContact CE1-CG2 4.13Å; V476-V480 HydrophobicContact CG1-CG2 4.35Å; V476-V480 WeakPolarHBondContact O-CG2 3.36Å; V476-V480 PolarHBondContact O-N 3.42Å; K477-V480 PolarHBondContact O-N 3.25Å; V480-A482 PolarHBondContact O-N 3.11Å; V480-C483 PolarHBondContact O-N 3.24Å; V480-L484 HydrophobicContact CG1-CD1 3.76Å; V480-L484 HydrophobicContact CG1-CG 4.38Å; V480-L484 WeakPolarHBondContact O-CD1 3.34Å; V480-L484 WeakPolarHBondContact O-CG 3.47Å; V480-L484 PolarHBondContact O-N 3.04Å; V480-V557 HydrophobicContact CG1-CG1 3.99Å; V480-I560 HydrophobicContact CG1-CG2 4.05Å |
| 481 | K | 96.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 30% | 0.296 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.3 | -72.4 | -173.9 | 171.4 | -165.7 | 0 | 112.6 | K477 D478 C479 L484 N485 I560 V564 | K477-K481 WeakPolarHBondContact O-CG 3.48Å; K477-K481 PolarHBondContact O-N 2.78Å; D478-K481 PolarHBondContact O-N 3.29Å; C479-K481 VanDerWaalsContact C-N 3.31Å; C479-K481 PolarHBondContact O-N 3.25Å; K481-L484 PolarHBondContact O-N 3.44Å; K481-N485 VanDerWaalsContact O-CG 3.31Å; K481-N485 PolarHBondContact O-N 3.48Å; K481-N485 PolarHBondContact O-ND2 3.03Å; K481-I560 HydrophobicContact CG-CG2 3.87Å; K481-V564 HydrophobicContact CB-CG2 4.47Å; K481-V564 HydrophobicContact CD-CG2 4.47Å; K481-V564 HydrophobicContact CG-CG2 3.9Å |
| 482 | A | 96.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D478 C479 V480 L484 N485 S486 | D478-A482 PolarHBondContact O-N 3.49Å; C479-A482 WeakPolarHBondContact O-CB 3.48Å; C479-A482 PolarHBondContact O-N 2.91Å; V480-A482 PolarHBondContact O-N 3.11Å; A482-L484 VanDerWaalsContact C-N 3.32Å; A482-L484 PolarHBondContact O-N 2.96Å; A482-N485 PolarHBondContact O-N 2.95Å; A482-S486 PolarHBondContact O-N 3.39Å; A482-S486 VanDerWaalsContact O-N 3.11Å; A482-S486 PolarHBondContact O-OG 3.38Å |
| 483 | C | 97.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.02 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 176.7 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | S429 Y431 C479 V480 S486 T487 | S429-C483 WeakPolarHBondContact O-CA 3.44Å; S429-C483 WeakPolarHBondContact O-CB 3.31Å; S429-C483 PolarHBondContact O-N 2.53Å; Y431-C483 HydrophobicContact CD1-CB 3.48Å; Y431-C483 VanDerWaalsContact CD1-CB 3.48Å; Y431-C483 WeakPolarHBondContact CD1-SG 3.28Å; Y431-C483 HydrophobicContact CE1-CB 3.5Å; Y431-C483 VanDerWaalsContact CE1-SG 3.58Å; C479-C483 PolarHBondContact O-N 2.94Å; V480-C483 PolarHBondContact O-N 3.24Å; C483-S486 PolarHBondContact O-N 3.03Å; C483-T487 WeakPolarHBondContact O-CB 3.32Å; C483-T487 PolarHBondContact O-N 3.1Å; C483-T487 PolarHBondContact O-OG1 3.3Å |
| 484 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.9 | -71.3 | 164.6 | 0 | 0 | 0 | 111.7 | V480 K481 A482 S486 T487 Y488 D540 I560 S561 V564 M565 | V480-L484 HydrophobicContact CG1-CD1 3.76Å; V480-L484 HydrophobicContact CG1-CG 4.38Å; V480-L484 WeakPolarHBondContact O-CD1 3.34Å; V480-L484 WeakPolarHBondContact O-CG 3.47Å; V480-L484 PolarHBondContact O-N 3.04Å; K481-L484 PolarHBondContact O-N 3.44Å; A482-L484 VanDerWaalsContact C-N 3.32Å; A482-L484 PolarHBondContact O-N 2.96Å; L484-S486 PolarHBondContact O-N 2.76Å; L484-T487 WeakPolarHBondContact O-CB 3.49Å; L484-T487 PolarHBondContact O-N 3.1Å; L484-Y488 PolarHBondContact O-N 3.39Å; L484-D540 VanDerWaalsContact CD2-OD2 3.3Å; L484-D540 WeakPolarHBondContact CD2-OD2 3.16Å; L484-I560 HydrophobicContact CD1-CG2 3.93Å; L484-S561 WeakPolarHBondContact CD2-OG 3.48Å; L484-V564 HydrophobicContact CB-CB 4.17Å; L484-V564 HydrophobicContact CB-CG1 3.73Å; L484-V564 HydrophobicContact CD1-CB 4.05Å; L484-V564 HydrophobicContact CD1-CG2 4.08Å; L484-M565 HydrophobicContact CD2-CG 4.41Å; L484-M565 HydrophobicContact CD2-SD 4.33Å |
| 485 | N | 95.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 41.3 Ų | 41.3 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 174.8 | -68.1 | -33.1 | 0 | 0 | 0 | 111.5 | K481 A482 T487 Y488 E489 V564 M568 | K481-N485 VanDerWaalsContact O-CG 3.31Å; K481-N485 PolarHBondContact O-N 3.48Å; K481-N485 PolarHBondContact O-ND2 3.03Å; A482-N485 PolarHBondContact O-N 2.95Å; N485-T487 VanDerWaalsContact C-N 3.31Å; N485-T487 PolarHBondContact O-N 3.18Å; N485-Y488 PolarHBondContact O-N 2.94Å; N485-E489 PolarHBondContact O-N 3.36Å; N485-V564 WeakPolarHBondContact OD1-CG1 3.41Å; N485-M568 HydrophobicContact CB-CE 4.29Å; N485-M568 HydrophobicContact CB-SD 4.19Å; N485-M568 PolarHBondContact OD1-SD 3Å |
| 486 | S | 96.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.6 | -33.6 | 176 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | A482 C483 L484 Y490 | A482-S486 PolarHBondContact O-N 3.39Å; A482-S486 VanDerWaalsContact O-N 3.11Å; A482-S486 PolarHBondContact O-OG 3.38Å; C483-S486 PolarHBondContact O-N 3.03Å; L484-S486 PolarHBondContact O-N 2.76Å; S486-Y490 WeakPolarHBondContact O-CB 3.31Å; S486-Y490 PolarHBondContact O-N 3.42Å |
| 487 | T | 96.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | C483 L484 N485 Y490 I491 I536 | C483-T487 WeakPolarHBondContact O-CB 3.32Å; C483-T487 PolarHBondContact O-N 3.1Å; C483-T487 PolarHBondContact O-OG1 3.3Å; L484-T487 WeakPolarHBondContact O-CB 3.49Å; L484-T487 PolarHBondContact O-N 3.1Å; N485-T487 VanDerWaalsContact C-N 3.31Å; N485-T487 PolarHBondContact O-N 3.18Å; T487-Y490 PolarHBondContact O-N 2.95Å; T487-I491 WeakPolarHBondContact O-CG1 3.37Å; T487-I491 PolarHBondContact O-N 3Å; T487-I536 HydrophobicContact CG2-CD1 3.74Å; T487-I536 HydrophobicContact CG2-CG1 4Å; T487-I536 HydrophobicContact CG2-CG2 4.07Å |
| 488 | Y | 97.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 176.8 | -179.7 | -89.2 | 0 | 0 | 0 | 111.1 | L484 N485 Y490 I491 F492 I533 M565 M568 F569 D572 | L484-Y488 PolarHBondContact O-N 3.39Å; N485-Y488 PolarHBondContact O-N 2.94Å; Y488-Y490 VanDerWaalsContact C-N 3.29Å; Y488-Y490 PolarHBondContact O-N 2.68Å; Y488-I491 VanDerWaalsContact O-CG1 3.22Å; Y488-I491 WeakPolarHBondContact O-CG1 3.5Å; Y488-I491 PolarHBondContact O-N 2.79Å; Y488-F492 HydrophobicContact CE1-CB 4.37Å; Y488-F492 HydrophobicContact CE1-CD2 4.07Å; Y488-F492 HydrophobicContact CE1-CG 4.48Å; Y488-F492 VanDerWaalsContact O-CB 3.24Å; Y488-F492 WeakPolarHBondContact O-CB 3.32Å; Y488-F492 PolarHBondContact O-N 2.88Å; Y488-I533 HydrophobicContact CE2-CD1 4.15Å; Y488-M565 HydrophobicContact CD2-CE 4.1Å; Y488-M565 HydrophobicContact CD2-SD 4.41Å; Y488-M568 VanDerWaalsContact CB-SD 3.51Å; Y488-M568 HydrophobicContact CD1-CB 3.77Å; Y488-M568 HydrophobicContact CD1-CE 3.35Å; Y488-M568 HydrophobicContact CD1-CG 4.41Å; Y488-M568 HydrophobicContact CD1-SD 3.83Å; Y488-M568 HydrophobicContact CD2-CB 3.88Å; Y488-M568 HydrophobicContact CD2-SD 4.48Å; Y488-M568 HydrophobicContact CE1-CB 3.8Å; Y488-M568 HydrophobicContact CE1-CE 4.16Å; Y488-M568 HydrophobicContact CE2-CB 3.93Å; Y488-M568 HydrophobicContact CG-CB 3.79Å; Y488-M568 HydrophobicContact CG-CE 3.84Å; Y488-M568 HydrophobicContact CG-CG 4.4Å; Y488-M568 HydrophobicContact CG-SD 3.68Å; Y488-F569 HydrophobicContact CE2-CB 4.02Å; Y488-F569 WeakPolarHBondContact OH-CA 3.31Å; Y488-D572 WeakPolarHBondContact CE1-OD2 3.44Å; Y488-D572 VanDerWaalsContact CZ-OD2 3.27Å; Y488-D572 PolarHBondContact OH-OD2 3.07Å |
| 489 | E | 95.3 | Very high | 93.5 | Very high | 119 Ų | 119 | 42.7 Ų | 42.7 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.6 | -40.4 | 177.4 | -172 | 176.6 | -172.5 | 0 | 0 | 111.6 | N485 N493 | N485-E489 PolarHBondContact O-N 3.36Å; E489-N493 WeakPolarHBondContact O-CB 3.49Å; E489-N493 VanDerWaalsContact O-CG 3.3Å; E489-N493 PolarHBondContact O-N 3.08Å; E489-N493 PolarHBondContact O-ND2 3.38Å |
| 490 | Y | 94.2 | Very high | 92.9 | Very high | 124 Ų | 124 | 44.3 Ų | 44.3 | 49% | 0.486 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -49.6 | 175.5 | 177.8 | -104.3 | 0 | 0 | 0 | 112.6 | S486 T487 Y488 F492 N493 N494 L498 | S486-Y490 WeakPolarHBondContact O-CB 3.31Å; S486-Y490 PolarHBondContact O-N 3.42Å; T487-Y490 PolarHBondContact O-N 2.95Å; Y488-Y490 VanDerWaalsContact C-N 3.29Å; Y488-Y490 PolarHBondContact O-N 2.68Å; Y490-F492 VanDerWaalsContact C-N 3.31Å; Y490-F492 PolarHBondContact O-N 3.49Å; Y490-N493 PolarHBondContact O-N 3.04Å; Y490-N494 WeakPolarHBondContact CD2-ND2 3.46Å; Y490-N494 WeakPolarHBondContact O-CB 3.23Å; Y490-N494 PolarHBondContact O-N 3.4Å; Y490-N494 PolarHBondContact O-ND2 2.86Å; Y490-L498 HydrophobicContact CD1-CD1 4.27Å; Y490-L498 HydrophobicContact CE1-CD1 3.85Å; Y490-L498 HydrophobicContact CE1-CD2 4.3Å |
| 491 | I | 94.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.5 | -30.6 | -179.9 | 65.7 | 172.2 | 0 | 0 | 0 | 112.2 | T487 Y488 C495 L498 L529 L532 I533 I536 M565 | T487-I491 WeakPolarHBondContact O-CG1 3.37Å; T487-I491 PolarHBondContact O-N 3Å; Y488-I491 VanDerWaalsContact O-CG1 3.22Å; Y488-I491 WeakPolarHBondContact O-CG1 3.5Å; Y488-I491 PolarHBondContact O-N 2.79Å; I491-C495 WeakPolarHBondContact O-CA 3.28Å; I491-C495 VanDerWaalsContact O-CB 3.28Å; I491-C495 WeakPolarHBondContact O-CB 3.25Å; I491-C495 PolarHBondContact O-N 3.03Å; I491-L498 HydrophobicContact CB-CD1 4.31Å; I491-L498 HydrophobicContact CG2-CD1 4.02Å; I491-L529 HydrophobicContact CD1-CD1 4.11Å; I491-L529 HydrophobicContact CG1-CD1 4.07Å; I491-L532 HydrophobicContact CB-CB 4.49Å; I491-L532 HydrophobicContact CB-CD1 4.43Å; I491-L532 HydrophobicContact CD1-CB 4.29Å; I491-I533 HydrophobicContact CD1-CG1 3.84Å; I491-I536 HydrophobicContact CD1-CG1 4.43Å; I491-I536 HydrophobicContact CG2-CG1 4.46Å; I491-M565 HydrophobicContact CD1-CE 3.57Å |
| 492 | F | 94.2 | Very high | 91.4 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -48.4 | 176.7 | -170.8 | -84.6 | 0 | 0 | 0 | 110.6 | Y488 Y490 N494 P518 F525 W526 L529 D572 | Y488-F492 HydrophobicContact CE1-CB 4.37Å; Y488-F492 HydrophobicContact CE1-CD2 4.07Å; Y488-F492 HydrophobicContact CE1-CG 4.48Å; Y488-F492 VanDerWaalsContact O-CB 3.24Å; Y488-F492 WeakPolarHBondContact O-CB 3.32Å; Y488-F492 PolarHBondContact O-N 2.88Å; Y490-F492 VanDerWaalsContact C-N 3.31Å; Y490-F492 PolarHBondContact O-N 3.49Å; F492-N494 VanDerWaalsContact C-N 3.33Å; F492-N494 PolarHBondContact O-N 3.38Å; F492-P518 HydrophobicContact CE1-CG 4.05Å; F492-P518 HydrophobicContact CE2-CG 4.44Å; F492-P518 HydrophobicContact CZ-CG 3.56Å; F492-F525 HydrophobicContact CD1-CZ 4.33Å; F492-F525 HydrophobicContact CD2-CE1 4.28Å; F492-F525 AromaticContact CD2-CZ 3.9Å; F492-F525 HydrophobicContact CD2-CZ 3.9Å; F492-F525 HydrophobicContact CE1-CZ 4.2Å; F492-F525 AromaticContact CE2-CE1 3.8Å; F492-F525 HydrophobicContact CE2-CE1 3.8Å; F492-F525 AromaticContact CE2-CZ 3.77Å; F492-F525 HydrophobicContact CE2-CZ 3.77Å; F492-F525 HydrophobicContact CG-CZ 4.18Å; F492-F525 HydrophobicContact CZ-CE1 4.07Å; F492-F525 AromaticContact CZ-CZ 3.93Å; F492-F525 HydrophobicContact CZ-CZ 3.93Å; F492-W526 HydrophobicContact CE2-CH2 4.14Å; F492-W526 HydrophobicContact CE2-CZ3 4.16Å; F492-L529 HydrophobicContact CD2-CD2 3.69Å; F492-L529 HydrophobicContact CE2-CD2 4.05Å; F492-D572 HydrophobicContact CE2-CB 4.22Å |
| 493 | N | 91.5 | Very high | 90.7 | Very high | 112 Ų | 112 | 57.2 Ų | 57.2 | 60% | 0.599 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -70.3 | -26.3 | -179.9 | -71.8 | -35.2 | 0 | 0 | 0 | 113.6 | E489 Y490 | E489-N493 WeakPolarHBondContact O-CB 3.49Å; E489-N493 VanDerWaalsContact O-CG 3.3Å; E489-N493 PolarHBondContact O-N 3.08Å; E489-N493 PolarHBondContact O-ND2 3.38Å; Y490-N493 PolarHBondContact O-N 3.04Å |
| 494 | N | 90.9 | Very high | 89.4 | Confident | 56 Ų | 56 | 59.8 Ų | 59.8 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 21.3 | -175.9 | -58.3 | -89 | 0 | 0 | 0 | 113 | Y490 F492 H496 D497 L498 | Y490-N494 WeakPolarHBondContact CD2-ND2 3.46Å; Y490-N494 WeakPolarHBondContact O-CB 3.23Å; Y490-N494 PolarHBondContact O-N 3.4Å; Y490-N494 PolarHBondContact O-ND2 2.86Å; F492-N494 VanDerWaalsContact C-N 3.33Å; F492-N494 PolarHBondContact O-N 3.38Å; N494-H496 PolarHBondContact O-N 3.44Å; N494-D497 PolarHBondContact O-N 2.86Å; N494-L498 HydrophobicContact CB-CD1 3.97Å; N494-L498 HydrophobicContact CB-CG 4.1Å; N494-L498 WeakPolarHBondContact O-CB 3.49Å; N494-L498 WeakPolarHBondContact O-CG 3.25Å; N494-L498 PolarHBondContact O-N 3.21Å |
| 495 | C | 90 | Very high | 87.4 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.2 | -46.4 | -169.3 | -178.6 | 0 | 0 | 0 | 0 | 113.2 | I491 Y499 F525 L529 L532 | I491-C495 WeakPolarHBondContact O-CA 3.28Å; I491-C495 VanDerWaalsContact O-CB 3.28Å; I491-C495 WeakPolarHBondContact O-CB 3.25Å; I491-C495 PolarHBondContact O-N 3.03Å; C495-Y499 WeakPolarHBondContact O-CB 3.27Å; C495-Y499 PolarHBondContact O-N 3.38Å; C495-F525 HydrophobicContact CB-CD2 4.01Å; C495-F525 HydrophobicContact CB-CE2 3.52Å; C495-F525 HydrophobicContact CB-CZ 4.33Å; C495-L529 PolarHBondContact SG-N 2.92Å; C495-L529 VanDerWaalsContact SG-N 3.44Å; C495-L532 HydrophobicContact CB-CD1 4.39Å |
| 496 | H | 84.8 | Confident | 85.3 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 9% | 0.088 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -47.1 | -176.5 | -167.3 | 91.4 | 0 | 0 | 0 | 112.2 | N494 N500 Q516 K528 | N494-H496 PolarHBondContact O-N 3.44Å; H496-N500 PolarHBondContact CD2-ND2 2.83Å; H496-N500 PolarHBondContact NE2-ND2 3.24Å; H496-N500 WeakPolarHBondContact O-CB 3.36Å; H496-N500 PolarHBondContact O-N 2.72Å; H496-N500 PolarHBondContact O-ND2 3Å; H496-N500 PolarHBondContact O-OD1 3.36Å; H496-Q516 HydrophobicContact CB-CB 4.02Å; H496-Q516 HydrophobicContact CB-CG 4.15Å; H496-K528 PolarHBondContact CE1-NZ 3.17Å; H496-K528 PolarHBondContact ND1-NZ 2.93Å |
| 497 | D | 85.8 | Confident | 83.4 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | -177.4 | -69.6 | -18.3 | 0 | 0 | 0 | 111.8 | N494 N500 R501 | N494-D497 PolarHBondContact O-N 2.86Å; D497-N500 PolarHBondContact O-N 3.17Å; D497-R501 VanDerWaalsContact O-CB 3.31Å; D497-R501 WeakPolarHBondContact O-CB 3.38Å; D497-R501 PolarHBondContact O-N 3.39Å |
| 498 | L | 87.3 | Confident | 81.3 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 178.4 | -68 | 174.7 | 0 | 0 | 0 | 111.5 | Y490 I491 N494 N500 R501 E502 L532 | Y490-L498 HydrophobicContact CD1-CD1 4.27Å; Y490-L498 HydrophobicContact CE1-CD1 3.85Å; Y490-L498 HydrophobicContact CE1-CD2 4.3Å; I491-L498 HydrophobicContact CB-CD1 4.31Å; I491-L498 HydrophobicContact CG2-CD1 4.02Å; N494-L498 HydrophobicContact CB-CD1 3.97Å; N494-L498 HydrophobicContact CB-CG 4.1Å; N494-L498 WeakPolarHBondContact O-CB 3.49Å; N494-L498 WeakPolarHBondContact O-CG 3.25Å; N494-L498 PolarHBondContact O-N 3.21Å; L498-N500 PolarHBondContact O-N 3.47Å; L498-R501 PolarHBondContact O-N 2.95Å; L498-E502 PolarHBondContact O-N 3.15Å; L498-L532 HydrophobicContact CB-CD1 3.9Å; L498-L532 HydrophobicContact CB-CD2 4.08Å; L498-L532 HydrophobicContact CD1-CD1 4.4Å |
| 499 | Y | 87.3 | Confident | 79.2 | Confident | 55 Ų | 55 | 81 Ų | 81 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 178.8 | -174.3 | -84 | 0 | 0 | 0 | 111.5 | C495 R501 E502 Y503 K528 T531 | C495-Y499 WeakPolarHBondContact O-CB 3.27Å; C495-Y499 PolarHBondContact O-N 3.38Å; Y499-R501 VanDerWaalsContact C-N 3.34Å; Y499-R501 PolarHBondContact O-N 2.89Å; Y499-E502 PolarHBondContact O-N 2.92Å; Y499-Y503 HydrophobicContact CD2-CD2 4.24Å; Y499-Y503 HydrophobicContact CE2-CG 4.45Å; Y499-Y503 WeakPolarHBondContact O-CB 3.46Å; Y499-Y503 PolarHBondContact O-N 3.36Å; Y499-K528 HydrophobicContact CD1-CB 4.49Å; Y499-K528 HydrophobicContact CD1-CD 3.77Å; Y499-K528 HydrophobicContact CD1-CG 3.8Å; Y499-K528 HydrophobicContact CD2-CB 3.64Å; Y499-K528 HydrophobicContact CD2-CD 4.42Å; Y499-K528 HydrophobicContact CD2-CG 3.74Å; Y499-K528 HydrophobicContact CE1-CD 4.37Å; Y499-K528 HydrophobicContact CE1-CG 4.08Å; Y499-K528 HydrophobicContact CE2-CB 4.18Å; Y499-K528 HydrophobicContact CE2-CG 4Å; Y499-K528 HydrophobicContact CG-CB 3.82Å; Y499-K528 HydrophobicContact CG-CD 3.8Å; Y499-K528 HydrophobicContact CG-CG 3.63Å; Y499-T531 HydrophobicContact CD2-CG2 4.39Å; Y499-T531 HydrophobicContact CE2-CG2 3.91Å |
| 500 | N | 83.6 | Confident | 77.3 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 20% | 0.198 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | -177.7 | -69.5 | -2.5 | 0 | 0 | 0 | 112.1 | H496 D497 L498 E502 Q504 K528 | H496-N500 PolarHBondContact CD2-ND2 2.83Å; H496-N500 PolarHBondContact NE2-ND2 3.24Å; H496-N500 WeakPolarHBondContact O-CB 3.36Å; H496-N500 PolarHBondContact O-N 2.72Å; H496-N500 PolarHBondContact O-ND2 3Å; H496-N500 PolarHBondContact O-OD1 3.36Å; D497-N500 PolarHBondContact O-N 3.17Å; L498-N500 PolarHBondContact O-N 3.47Å; N500-E502 VanDerWaalsContact C-N 3.33Å; N500-E502 PolarHBondContact O-N 2.86Å; N500-Q504 HydrophobicContact CB-CB 4.24Å; N500-Q504 PolarHBondContact O-N 3.31Å; N500-Q504 PolarHBondContact OD1-OE1 2.8Å; N500-K528 PolarHBondContact OD1-NZ 3.45Å |
| 501 | R | 82.8 | Confident | 75.6 | Confident | 176 Ų | 176 | 76.3 Ų | 76.3 | 66% | 0.664 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.6 | -36.6 | 179.4 | -172.1 | -179.5 | 70.1 | -167.3 | 0.9 | 113 | D497 L498 Y499 | D497-R501 VanDerWaalsContact O-CB 3.31Å; D497-R501 WeakPolarHBondContact O-CB 3.38Å; D497-R501 PolarHBondContact O-N 3.39Å; L498-R501 PolarHBondContact O-N 2.95Å; Y499-R501 VanDerWaalsContact C-N 3.34Å; Y499-R501 PolarHBondContact O-N 2.89Å |
| 502 | E | 80.3 | Confident | 73.9 | Confident | 102 Ų | 102 | 79.4 Ų | 79.4 | 48% | 0.477 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -102.2 | -31.5 | -173.6 | -81 | 168.2 | -155.9 | 0 | 0 | 114.2 | L498 Y499 N500 | L498-E502 PolarHBondContact O-N 3.15Å; Y499-E502 PolarHBondContact O-N 2.92Å; N500-E502 VanDerWaalsContact C-N 3.33Å; N500-E502 PolarHBondContact O-N 2.86Å |
| 503 | Y | 80.9 | Confident | 72.3 | Confident | 99 Ų | 99 | 82.1 Ų | 82.1 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -122.8 | -10.9 | -166.8 | -58.6 | -84.8 | 0 | 0 | 0 | 114.6 | Y499 T531 L532 | Y499-Y503 HydrophobicContact CD2-CD2 4.24Å; Y499-Y503 HydrophobicContact CE2-CG 4.45Å; Y499-Y503 WeakPolarHBondContact O-CB 3.46Å; Y499-Y503 PolarHBondContact O-N 3.36Å; Y503-T531 HydrophobicContact CD1-CG2 4.4Å; Y503-T531 HydrophobicContact CE1-CG2 4.25Å; Y503-T531 HydrophobicContact CE2-CG2 4.43Å; Y503-L532 HydrophobicContact CE2-CD2 4.25Å |
| 504 | Q | 69.9 | Low | 70.7 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 27% | 0.271 | 46% | 0.459 | S | S | . | . | trans | -103.2 | 118.3 | -177.4 | -165.8 | 156.6 | -41.1 | 0 | 0 | 112.4 | N500 D506 | N500-Q504 HydrophobicContact CB-CB 4.24Å; N500-Q504 PolarHBondContact O-N 3.31Å; N500-Q504 PolarHBondContact OD1-OE1 2.8Å; Q504-D506 PolarHBondContact NE2-O 3.06Å | ||
| 505 | T | 56.2 | Low | 69.2 | Low | 146 Ų | 146 | 86.3 Ų | 86.3 | 90% | 0.896 | 47% | 0.466 | S | S | * | . | trans | -89.4 | -8.7 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 506 | D | 52.6 | Low | 68.2 | Low | 81 Ų | 81 | 88.9 Ų | 88.9 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | trans | -118 | 108.8 | -175 | -162.1 | -21.9 | 0 | 0 | 0 | 111.8 | Q504 S508 | Q504-D506 PolarHBondContact NE2-O 3.06Å; D506-S508 PolarHBondContact O-N 2.97Å; D506-S508 WeakPolarHBondContact OD1-CB 3.3Å; D506-S508 PolarHBondContact OD1-N 2.61Å; D506-S508 PolarHBondContact OD1-OG 2.88Å | ||
| 507 | P | 55.3 | Low | 67.8 | Low | 124 Ų | 124 | 89.6 Ų | 89.6 | 81% | 0.805 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.6 | -177.3 | -16.3 | 29.1 | 0 | 0 | 0 | 115 | K509 | P507-K509 VanDerWaalsContact C-N 3.29Å; P507-K509 PolarHBondContact O-N 3.4Å |
| 508 | S | 52.2 | Low | 67.8 | Low | 93 Ų | 93 | 88.3 Ų | 88.3 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.1 | -169.5 | 61.7 | 0 | 0 | 0 | 0 | 115.5 | D506 | D506-S508 PolarHBondContact O-N 2.97Å; D506-S508 WeakPolarHBondContact OD1-CB 3.3Å; D506-S508 PolarHBondContact OD1-N 2.61Å; D506-S508 PolarHBondContact OD1-OG 2.88Å |
| 509 | K | 54.3 | Low | 67.8 | Low | 141 Ų | 141 | 88.6 Ų | 88.6 | 61% | 0.613 | 49% | 0.49 | S | S | * | . | trans | -113 | 49 | -177.5 | -64.8 | -175.5 | 179.6 | 179.8 | 0 | 113.4 | P507 V511 | P507-K509 VanDerWaalsContact C-N 3.29Å; P507-K509 PolarHBondContact O-N 3.4Å; K509-V511 PolarHBondContact O-N 3.32Å | ||
| 510 | A | 54.1 | Low | 67.9 | Low | 91 Ų | 91 | 89.2 Ų | 89.2 | 75% | 0.752 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 118.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 511 | V | 58.6 | Low | 68 | Low | 52 Ų | 52 | 94.2 Ų | 94.2 | 32% | 0.315 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 142.3 | -179 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | K509 E515 Q516 | K509-V511 PolarHBondContact O-N 3.32Å; V511-E515 HydrophobicContact CG1-CB 3.72Å; V511-Q516 PolarHBondContact O-NE2 3.18Å |
| 512 | P | 60 | Low | 68.3 | Low | 73 Ų | 73 | 88.1 Ų | 88.1 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 147.4 | 179 | -23.5 | 32.9 | 0 | 0 | 0 | 113 | D514 E515 Q516 | P512-D514 PolarHBondContact O-N 2.88Å; P512-D514 VanDerWaalsContact O-N 3.13Å; P512-E515 PolarHBondContact O-N 3.16Å; P512-Q516 WeakPolarHBondContact O-CG 3.35Å |
| 513 | P | 60.8 | Low | 68.8 | Low | 99 Ų | 99 | 83.8 Ų | 83.8 | 64% | 0.643 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -52.9 | -36.2 | -177.8 | -26.2 | 33.9 | 0 | 0 | 0 | 114.5 | E515 Q516 | P513-E515 PolarHBondContact O-N 3.02Å; P513-E515 VanDerWaalsContact O-N 3.17Å; P513-Q516 PolarHBondContact O-N 3.04Å |
| 514 | D | 58 | Low | 69.2 | Low | 160 Ų | 160 | 84.2 Ų | 84.2 | 86% | 0.856 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -69.2 | -10.5 | -178 | -58.2 | -36.3 | 0 | 0 | 0 | 113.8 | P512 | P512-D514 PolarHBondContact O-N 2.88Å; P512-D514 VanDerWaalsContact O-N 3.13Å |
| 515 | E | 58.6 | Low | 70.3 | Confident | 96 Ų | 96 | 81.9 Ų | 81.9 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -115.3 | 10.4 | -179.4 | -67 | -169.8 | 159.3 | 0 | 0 | 113.4 | V511 P512 P513 | V511-E515 HydrophobicContact CG1-CB 3.72Å; P512-E515 PolarHBondContact O-N 3.16Å; P513-E515 PolarHBondContact O-N 3.02Å; P513-E515 VanDerWaalsContact O-N 3.17Å |
| 516 | Q | 68.8 | Low | 72.1 | Confident | 56 Ų | 56 | 75.2 Ų | 75.2 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -85.7 | -17.7 | -174.7 | -67.6 | 177.4 | 3.1 | 0 | 0 | 114.6 | H496 V511 P512 P513 F525 | H496-Q516 HydrophobicContact CB-CB 4.02Å; H496-Q516 HydrophobicContact CB-CG 4.15Å; V511-Q516 PolarHBondContact O-NE2 3.18Å; P512-Q516 WeakPolarHBondContact O-CG 3.35Å; P513-Q516 PolarHBondContact O-N 3.04Å; Q516-F525 WeakPolarHBondContact O-CD2 3.48Å |
| 517 | G | 77.3 | Confident | 74 | Confident | 33 Ų | 33 | 72.6 Ų | 72.6 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -90.7 | -168.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | S519 | G517-S519 PolarHBondContact O-N 3.06Š|
| 518 | P | 85.6 | Confident | 75.8 | Confident | 69 Ų | 69 | 68 Ų | 68 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | trans | -54.6 | 125.4 | 172.3 | -19.3 | 28.3 | 0 | 0 | 0 | 111 | F492 F525 W526 | F492-P518 HydrophobicContact CE1-CG 4.05Å; F492-P518 HydrophobicContact CE2-CG 4.44Å; F492-P518 HydrophobicContact CZ-CG 3.56Å; P518-F525 HydrophobicContact CB-CD1 4.21Å; P518-F525 HydrophobicContact CB-CE1 4.31Å; P518-F525 HydrophobicContact CG-CD1 4Å; P518-F525 HydrophobicContact CG-CE1 3.63Å; P518-F525 HydrophobicContact CG-CZ 3.96Å; P518-W526 HydrophobicContact CB-CZ2 3.92Å; P518-W526 HydrophobicContact CG-CZ2 4.29Å | ||
| 519 | S | 87 | Confident | 77.9 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | trans | -120.4 | 136.8 | -177.7 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | G517 K521 H580 | G517-S519 PolarHBondContact O-N 3.06Å; S519-K521 PolarHBondContact O-N 3.03Å; S519-K521 PolarHBondContact OG-N 2.93Å; S519-K521 VanDerWaalsContact OG-N 3.17Å; S519-H580 PolarHBondContact O-CE1 3.48Å; S519-H580 VanDerWaalsContact O-CE1 3.27Å; S519-H580 PolarHBondContact O-NE2 3.06Å | ||
| 520 | I | 88.4 | Confident | 79.9 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 35% | 0.354 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -73.1 | -13.5 | 172.1 | 62.2 | 171.5 | 0 | 0 | 0 | 112.7 | E579 H580 L585 | I520-E579 HydrophobicContact CG2-CG 4.25Å; I520-H580 PolarHBondContact O-CE1 3.42Å; I520-H580 PolarHBondContact O-ND1 3.02Å; I520-L585 HydrophobicContact CB-CD1 4.46Å; I520-L585 HydrophobicContact CD1-CD1 3.85Å; I520-L585 HydrophobicContact CG1-CD1 4.01Å |
| 521 | K | 86.7 | Confident | 81.8 | Confident | 142 Ų | 142 | 54.7 Ų | 54.7 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -97.5 | -18.4 | -174.4 | -61.4 | -179.4 | -176.6 | 171 | 0 | 113.6 | S519 L585 C586 | S519-K521 PolarHBondContact O-N 3.03Å; S519-K521 PolarHBondContact OG-N 2.93Å; S519-K521 VanDerWaalsContact OG-N 3.17Å; K521-L585 HydrophobicContact CG-CD1 4.36Å; K521-C586 PolarHBondContact O-SG 2.98Å; K521-C586 VanDerWaalsContact O-SG 3.33Å |
| 522 | N | 87.9 | Confident | 83.6 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | trans | -147.7 | 161.3 | 178.6 | 73.2 | 68.4 | 0 | 0 | 0 | 111.2 | D524 | N522-D524 PolarHBondContact OD1-N 3.41Š| ||
| 523 | L | 92.1 | Very high | 85.4 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | trans | -112.1 | 11.8 | -178.9 | -60.1 | 177.7 | 0 | 0 | 0 | 113.3 | F525 W526 S527 M577 H580 C586 D590 Y591 L594 | L523-F525 PolarHBondContact O-N 3.28Å; L523-W526 PolarHBondContact O-N 3.28Å; L523-S527 PolarHBondContact O-N 3.19Å; L523-M577 HydrophobicContact CD2-CE 4.29Å; L523-H580 VanDerWaalsContact CD2-CE1 3.48Å; L523-H580 WeakPolarHBondContact CD2-CE1 3.15Å; L523-C586 HydrophobicContact CG-CB 4.47Å; L523-D590 HydrophobicContact CD1-CB 3.84Å; L523-Y591 HydrophobicContact CD1-CD1 3.55Å; L523-Y591 HydrophobicContact CD1-CE1 3.8Å; L523-Y591 HydrophobicContact CD1-CG 3.99Å; L523-Y591 HydrophobicContact CD2-CD1 4.45Å; L523-Y591 HydrophobicContact CD2-CE1 4.04Å; L523-Y591 HydrophobicContact CG-CE1 4.43Å; L523-L594 HydrophobicContact CB-CD2 4.39Å; L523-L594 HydrophobicContact CD1-CB 4.4Å; L523-L594 HydrophobicContact CD1-CD2 4.15Å; L523-L594 HydrophobicContact CD2-CD2 4.17Å; L523-L594 HydrophobicContact CG-CD2 4.48Å | ||
| 524 | D | 88.6 | Confident | 87.1 | Confident | 108 Ų | 108 | 45.6 Ų | 45.6 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.3 | -39.1 | -173 | -74 | -14.1 | 0 | 0 | 0 | 111.7 | N522 W526 S527 K528 | N522-D524 PolarHBondContact OD1-N 3.41Å; D524-W526 VanDerWaalsContact C-N 3.31Å; D524-W526 PolarHBondContact O-N 3.25Å; D524-S527 WeakPolarHBondContact O-CB 3.44Å; D524-S527 PolarHBondContact O-N 3.41Å; D524-K528 WeakPolarHBondContact O-CG 3.12Å; D524-K528 PolarHBondContact O-N 3.19Å |
| 525 | F | 92.5 | Very high | 88.9 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 4% | 0.044 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -51.7 | -49.1 | 176.7 | 171.5 | -94.5 | 0 | 0 | 0 | 111.8 | F492 C495 Q516 P518 L523 S527 K528 L529 | F492-F525 HydrophobicContact CD1-CZ 4.33Å; F492-F525 HydrophobicContact CD2-CE1 4.28Å; F492-F525 AromaticContact CD2-CZ 3.9Å; F492-F525 HydrophobicContact CD2-CZ 3.9Å; F492-F525 HydrophobicContact CE1-CZ 4.2Å; F492-F525 AromaticContact CE2-CE1 3.8Å; F492-F525 HydrophobicContact CE2-CE1 3.8Å; F492-F525 AromaticContact CE2-CZ 3.77Å; F492-F525 HydrophobicContact CE2-CZ 3.77Å; F492-F525 HydrophobicContact CG-CZ 4.18Å; F492-F525 HydrophobicContact CZ-CE1 4.07Å; F492-F525 AromaticContact CZ-CZ 3.93Å; F492-F525 HydrophobicContact CZ-CZ 3.93Å; C495-F525 HydrophobicContact CB-CD2 4.01Å; C495-F525 HydrophobicContact CB-CE2 3.52Å; C495-F525 HydrophobicContact CB-CZ 4.33Å; Q516-F525 WeakPolarHBondContact O-CD2 3.48Å; P518-F525 HydrophobicContact CB-CD1 4.21Å; P518-F525 HydrophobicContact CB-CE1 4.31Å; P518-F525 HydrophobicContact CG-CD1 4Å; P518-F525 HydrophobicContact CG-CE1 3.63Å; P518-F525 HydrophobicContact CG-CZ 3.96Å; L523-F525 PolarHBondContact O-N 3.28Å; F525-S527 VanDerWaalsContact C-N 3.35Å; F525-S527 PolarHBondContact O-N 3.11Å; F525-K528 PolarHBondContact O-N 3.33Å; F525-L529 HydrophobicContact CE1-CD2 3.93Å; F525-L529 HydrophobicContact CZ-CD2 4.2Å; F525-L529 WeakPolarHBondContact O-CB 3.24Å; F525-L529 PolarHBondContact O-N 3.47Å |
| 526 | W | 95 | Very high | 90.7 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | -178.5 | -63.6 | 114.1 | 0 | 0 | 0 | 112.6 | F492 P518 L523 D524 K528 L529 I530 F569 D572 M573 A576 L594 | F492-W526 HydrophobicContact CE2-CH2 4.14Å; F492-W526 HydrophobicContact CE2-CZ3 4.16Å; P518-W526 HydrophobicContact CB-CZ2 3.92Å; P518-W526 HydrophobicContact CG-CZ2 4.29Å; L523-W526 PolarHBondContact O-N 3.28Å; D524-W526 VanDerWaalsContact C-N 3.31Å; D524-W526 PolarHBondContact O-N 3.25Å; W526-K528 VanDerWaalsContact C-N 3.35Å; W526-L529 HydrophobicContact CE3-CD2 4Å; W526-L529 HydrophobicContact CZ3-CD2 3.93Å; W526-L529 PolarHBondContact O-N 2.83Å; W526-I530 VanDerWaalsContact O-CG1 3.27Å; W526-I530 WeakPolarHBondContact O-CG1 3.11Å; W526-I530 PolarHBondContact O-N 3.43Å; W526-F569 HydrophobicContact CE3-CE2 4.1Å; W526-D572 HydrophobicContact CH2-CB 3.96Å; W526-D572 HydrophobicContact CZ3-CB 4.14Å; W526-M573 HydrophobicContact CB-CE 3.76Å; W526-M573 HydrophobicContact CD2-CE 3.51Å; W526-M573 HydrophobicContact CD2-SD 4.37Å; W526-M573 HydrophobicContact CE3-CE 3.46Å; W526-M573 VanDerWaalsContact CE3-CE 3.46Å; W526-M573 HydrophobicContact CG-CE 3.65Å; W526-M573 HydrophobicContact CZ3-CE 4.27Å; W526-A576 HydrophobicContact CH2-CB 3.94Å; W526-A576 HydrophobicContact CZ2-CB 3.2Å; W526-L594 HydrophobicContact CB-CD1 3.73Å; W526-L594 HydrophobicContact CB-CD2 4.15Å; W526-L594 HydrophobicContact CG-CD2 4.36Å |
| 527 | S | 93 | Very high | 92.1 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 174.1 | -85 | 0 | 0 | 0 | 0 | 112.6 | L523 D524 F525 T531 K597 | L523-S527 PolarHBondContact O-N 3.19Å; D524-S527 WeakPolarHBondContact O-CB 3.44Å; D524-S527 PolarHBondContact O-N 3.41Å; F525-S527 VanDerWaalsContact C-N 3.35Å; F525-S527 PolarHBondContact O-N 3.11Å; S527-T531 PolarHBondContact O-N 2.94Å; S527-T531 PolarHBondContact O-OG1 3.37Å; S527-T531 VanDerWaalsContact O-OG1 3.05Å; S527-K597 VanDerWaalsContact CB-NZ 3.27Å; S527-K597 PolarHBondContact OG-NZ 2.94Å |
| 528 | K | 92.4 | Very high | 93.1 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 12% | 0.122 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 176.4 | -67.6 | -175.3 | 177.3 | -159.5 | 0 | 111.1 | H496 Y499 N500 D524 F525 W526 I530 T531 L532 | H496-K528 PolarHBondContact CE1-NZ 3.17Å; H496-K528 PolarHBondContact ND1-NZ 2.93Å; Y499-K528 HydrophobicContact CD1-CB 4.49Å; Y499-K528 HydrophobicContact CD1-CD 3.77Å; Y499-K528 HydrophobicContact CD1-CG 3.8Å; Y499-K528 HydrophobicContact CD2-CB 3.64Å; Y499-K528 HydrophobicContact CD2-CD 4.42Å; Y499-K528 HydrophobicContact CD2-CG 3.74Å; Y499-K528 HydrophobicContact CE1-CD 4.37Å; Y499-K528 HydrophobicContact CE1-CG 4.08Å; Y499-K528 HydrophobicContact CE2-CB 4.18Å; Y499-K528 HydrophobicContact CE2-CG 4Å; Y499-K528 HydrophobicContact CG-CB 3.82Å; Y499-K528 HydrophobicContact CG-CD 3.8Å; Y499-K528 HydrophobicContact CG-CG 3.63Å; N500-K528 PolarHBondContact OD1-NZ 3.45Å; D524-K528 WeakPolarHBondContact O-CG 3.12Å; D524-K528 PolarHBondContact O-N 3.19Å; F525-K528 PolarHBondContact O-N 3.33Å; W526-K528 VanDerWaalsContact C-N 3.35Å; K528-I530 PolarHBondContact O-N 3.44Å; K528-T531 WeakPolarHBondContact O-CB 3.3Å; K528-T531 PolarHBondContact O-N 3.27Å; K528-T531 VanDerWaalsContact O-N 3.07Å; K528-L532 PolarHBondContact O-N 3.05Å; K528-L532 VanDerWaalsContact O-N 3.11Å |
| 529 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 179.4 | -177.8 | 62 | 0 | 0 | 0 | 111.9 | I491 F492 C495 F525 W526 T531 L532 I533 F569 | I491-L529 HydrophobicContact CD1-CD1 4.11Å; I491-L529 HydrophobicContact CG1-CD1 4.07Å; F492-L529 HydrophobicContact CD2-CD2 3.69Å; F492-L529 HydrophobicContact CE2-CD2 4.05Å; C495-L529 PolarHBondContact SG-N 2.92Å; C495-L529 VanDerWaalsContact SG-N 3.44Å; F525-L529 HydrophobicContact CE1-CD2 3.93Å; F525-L529 HydrophobicContact CZ-CD2 4.2Å; F525-L529 WeakPolarHBondContact O-CB 3.24Å; F525-L529 PolarHBondContact O-N 3.47Å; W526-L529 HydrophobicContact CE3-CD2 4Å; W526-L529 HydrophobicContact CZ3-CD2 3.93Å; W526-L529 PolarHBondContact O-N 2.83Å; L529-T531 PolarHBondContact O-N 3Å; L529-L532 PolarHBondContact O-N 3.25Å; L529-L532 VanDerWaalsContact O-N 3.16Å; L529-I533 HydrophobicContact CD1-CD1 4.38Å; L529-I533 HydrophobicContact CD1-CG1 4.4Å; L529-I533 HydrophobicContact CG-CD1 3.91Å; L529-I533 HydrophobicContact CG-CG1 4.39Å; L529-I533 VanDerWaalsContact O-CG1 3.31Å; L529-I533 WeakPolarHBondContact O-CG1 3.21Å; L529-I533 PolarHBondContact O-N 2.95Å; L529-F569 HydrophobicContact CD2-CD2 4.17Å; L529-F569 HydrophobicContact CD2-CE2 4.48Å |
| 530 | I | 96.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.6 | -40.9 | 174.9 | -70.9 | 167.5 | 0 | 0 | 0 | 111 | W526 K528 I533 V534 F569 L594 K597 V598 L601 | W526-I530 VanDerWaalsContact O-CG1 3.27Å; W526-I530 WeakPolarHBondContact O-CG1 3.11Å; W526-I530 PolarHBondContact O-N 3.43Å; K528-I530 PolarHBondContact O-N 3.44Å; I530-I533 PolarHBondContact O-N 3.47Å; I530-V534 VanDerWaalsContact O-CG2 3.27Å; I530-V534 WeakPolarHBondContact O-CG2 3.44Å; I530-V534 PolarHBondContact O-N 2.93Å; I530-F569 HydrophobicContact CD1-CE2 4.39Å; I530-F569 HydrophobicContact CD1-CZ 3.88Å; I530-F569 HydrophobicContact CG1-CE2 3.75Å; I530-F569 HydrophobicContact CG1-CZ 3.62Å; I530-L594 HydrophobicContact CD1-CD1 4.03Å; I530-K597 HydrophobicContact CD1-CB 3.95Å; I530-V598 HydrophobicContact CD1-CG2 4Å; I530-L601 HydrophobicContact CG1-CD2 4.33Å; I530-L601 HydrophobicContact CG2-CB 4.39Å; I530-L601 HydrophobicContact CG2-CD1 4.45Å; I530-L601 HydrophobicContact CG2-CD2 4.26Å |
| 531 | T | 95.2 | Very high | 94.4 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 179.7 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | Y499 Y503 S527 K528 L529 V534 S535 | Y499-T531 HydrophobicContact CD2-CG2 4.39Å; Y499-T531 HydrophobicContact CE2-CG2 3.91Å; Y503-T531 HydrophobicContact CD1-CG2 4.4Å; Y503-T531 HydrophobicContact CE1-CG2 4.25Å; Y503-T531 HydrophobicContact CE2-CG2 4.43Å; S527-T531 PolarHBondContact O-N 2.94Å; S527-T531 PolarHBondContact O-OG1 3.37Å; S527-T531 VanDerWaalsContact O-OG1 3.05Å; K528-T531 WeakPolarHBondContact O-CB 3.3Å; K528-T531 PolarHBondContact O-N 3.27Å; K528-T531 VanDerWaalsContact O-N 3.07Å; L529-T531 PolarHBondContact O-N 3Å; T531-V534 PolarHBondContact O-N 3.44Å; T531-S535 PolarHBondContact O-N 2.89Å; T531-S535 VanDerWaalsContact O-N 3.09Å |
| 532 | L | 95.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 176.2 | -63.9 | 177.1 | 0 | 0 | 0 | 111.9 | I491 C495 L498 Y503 K528 L529 V534 S535 I536 | I491-L532 HydrophobicContact CB-CB 4.49Å; I491-L532 HydrophobicContact CB-CD1 4.43Å; I491-L532 HydrophobicContact CD1-CB 4.29Å; C495-L532 HydrophobicContact CB-CD1 4.39Å; L498-L532 HydrophobicContact CB-CD1 3.9Å; L498-L532 HydrophobicContact CB-CD2 4.08Å; L498-L532 HydrophobicContact CD1-CD1 4.4Å; Y503-L532 HydrophobicContact CE2-CD2 4.25Å; K528-L532 PolarHBondContact O-N 3.05Å; K528-L532 VanDerWaalsContact O-N 3.11Å; L529-L532 PolarHBondContact O-N 3.25Å; L529-L532 VanDerWaalsContact O-N 3.16Å; L532-V534 VanDerWaalsContact C-N 3.3Å; L532-V534 PolarHBondContact O-N 2.69Å; L532-S535 WeakPolarHBondContact O-CB 3.48Å; L532-S535 PolarHBondContact O-N 3.49Å; L532-S535 VanDerWaalsContact O-N 3.16Å; L532-I536 WeakPolarHBondContact O-CG1 3.48Å; L532-I536 PolarHBondContact O-N 3.18Å |
| 533 | I | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.8 | -45.6 | 174.5 | -71 | 167.3 | 0 | 0 | 0 | 110.6 | Y488 I491 L529 I530 S535 I536 I537 M565 F569 L601 | Y488-I533 HydrophobicContact CE2-CD1 4.15Å; I491-I533 HydrophobicContact CD1-CG1 3.84Å; L529-I533 HydrophobicContact CD1-CD1 4.38Å; L529-I533 HydrophobicContact CD1-CG1 4.4Å; L529-I533 HydrophobicContact CG-CD1 3.91Å; L529-I533 HydrophobicContact CG-CG1 4.39Å; L529-I533 VanDerWaalsContact O-CG1 3.31Å; L529-I533 WeakPolarHBondContact O-CG1 3.21Å; L529-I533 PolarHBondContact O-N 2.95Å; I530-I533 PolarHBondContact O-N 3.47Å; I533-S535 VanDerWaalsContact C-N 3.34Å; I533-S535 PolarHBondContact O-N 3.45Å; I533-I536 PolarHBondContact O-N 2.75Å; I533-I537 HydrophobicContact CG2-CD1 3.69Å; I533-I537 HydrophobicContact CG2-CG1 4.38Å; I533-I537 WeakPolarHBondContact O-CG1 3.41Å; I533-I537 PolarHBondContact O-N 3.33Å; I533-M565 HydrophobicContact CB-CE 4.47Å; I533-M565 HydrophobicContact CG1-CE 4.07Å; I533-M565 HydrophobicContact CG2-CB 3.97Å; I533-M565 HydrophobicContact CG2-CE 4.43Å; I533-F569 HydrophobicContact CD1-CB 3.81Å; I533-F569 HydrophobicContact CD1-CD2 3.51Å; I533-F569 HydrophobicContact CD1-CE2 4.31Å; I533-F569 HydrophobicContact CD1-CG 3.8Å; I533-L601 HydrophobicContact CG2-CD1 4.35Å |
| 534 | V | 97.1 | Very high | 95.5 | Very high | 25 Ų | 25 | 31.2 Ų | 31.2 | 15% | 0.152 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.7 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | I530 T531 L532 I536 I537 E538 W600 L601 Y605 | I530-V534 VanDerWaalsContact O-CG2 3.27Å; I530-V534 WeakPolarHBondContact O-CG2 3.44Å; I530-V534 PolarHBondContact O-N 2.93Å; T531-V534 PolarHBondContact O-N 3.44Å; L532-V534 VanDerWaalsContact C-N 3.3Å; L532-V534 PolarHBondContact O-N 2.69Å; V534-I536 VanDerWaalsContact C-N 3.29Å; V534-I536 PolarHBondContact O-N 3.39Å; V534-I537 PolarHBondContact O-N 3.39Å; V534-E538 HydrophobicContact CG1-CG 4.5Å; V534-E538 WeakPolarHBondContact O-CB 3.34Å; V534-E538 PolarHBondContact O-N 3.04Å; V534-W600 HydrophobicContact CG1-CH2 4.37Å; V534-W600 HydrophobicContact CG2-CH2 3.93Å; V534-W600 HydrophobicContact CG2-CZ3 3.7Å; V534-L601 HydrophobicContact CG2-CD1 3.67Å; V534-Y605 HydrophobicContact CG1-CE2 4.34Å; V534-Y605 WeakPolarHBondContact CG1-OH 3.46Å; V534-Y605 HydrophobicContact CG2-CE2 3.96Å |
| 535 | S | 95.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 26% | 0.259 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -55.7 | -45.4 | 176.7 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | T531 L532 I533 E538 E539 | T531-S535 PolarHBondContact O-N 2.89Å; T531-S535 VanDerWaalsContact O-N 3.09Å; L532-S535 WeakPolarHBondContact O-CB 3.48Å; L532-S535 PolarHBondContact O-N 3.49Å; L532-S535 VanDerWaalsContact O-N 3.16Å; I533-S535 VanDerWaalsContact C-N 3.34Å; I533-S535 PolarHBondContact O-N 3.45Å; S535-E538 PolarHBondContact O-N 3.35Å; S535-E539 WeakPolarHBondContact O-CB 3.48Å; S535-E539 PolarHBondContact O-N 3.19Å |
| 536 | I | 97.1 | Very high | 96 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 177.9 | -65 | -55.7 | 0 | 0 | 0 | 112.1 | T487 I491 L532 I533 V534 E538 E539 D540 M565 | T487-I536 HydrophobicContact CG2-CD1 3.74Å; T487-I536 HydrophobicContact CG2-CG1 4Å; T487-I536 HydrophobicContact CG2-CG2 4.07Å; I491-I536 HydrophobicContact CD1-CG1 4.43Å; I491-I536 HydrophobicContact CG2-CG1 4.46Å; L532-I536 WeakPolarHBondContact O-CG1 3.48Å; L532-I536 PolarHBondContact O-N 3.18Å; I533-I536 PolarHBondContact O-N 2.75Å; V534-I536 VanDerWaalsContact C-N 3.29Å; V534-I536 PolarHBondContact O-N 3.39Å; I536-E538 VanDerWaalsContact C-N 3.32Å; I536-E538 PolarHBondContact O-N 2.83Å; I536-E539 PolarHBondContact O-N 3.49Å; I536-D540 VanDerWaalsContact O-CG 3.28Å; I536-D540 PolarHBondContact O-N 2.98Å; I536-M565 HydrophobicContact CB-CE 4.08Å; I536-M565 HydrophobicContact CG1-CE 4.3Å; I536-M565 HydrophobicContact CG2-CE 3.88Å; I536-M565 HydrophobicContact CG2-CG 4.46Å; I536-M565 HydrophobicContact CG2-SD 4.22Å |
| 537 | I | 97.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | -179.5 | -64.7 | 167 | 0 | 0 | 0 | 110.7 | I533 V534 D540 K541 A562 M565 Y605 | I533-I537 HydrophobicContact CG2-CD1 3.69Å; I533-I537 HydrophobicContact CG2-CG1 4.38Å; I533-I537 WeakPolarHBondContact O-CG1 3.41Å; I533-I537 PolarHBondContact O-N 3.33Å; V534-I537 PolarHBondContact O-N 3.39Å; I537-D540 PolarHBondContact O-N 3.03Å; I537-K541 VanDerWaalsContact O-CB 3.28Å; I537-K541 WeakPolarHBondContact O-CB 3.04Å; I537-K541 PolarHBondContact O-N 3.34Å; I537-A562 HydrophobicContact CD1-CB 4.37Å; I537-A562 HydrophobicContact CG2-CB 4.12Å; I537-M565 HydrophobicContact CD1-CB 4.28Å; I537-M565 HydrophobicContact CG1-CB 4.34Å; I537-M565 HydrophobicContact CG1-CG 4.27Å; I537-Y605 HydrophobicContact CB-CD1 4.35Å; I537-Y605 HydrophobicContact CB-CE1 4.43Å; I537-Y605 HydrophobicContact CD1-CG 4.31Å; I537-Y605 HydrophobicContact CG2-CD1 3.44Å; I537-Y605 VanDerWaalsContact CG2-CD1 3.44Å; I537-Y605 HydrophobicContact CG2-CE1 3.77Å; I537-Y605 HydrophobicContact CG2-CG 4.23Å |
| 538 | E | 96.9 | Very high | 96.1 | Very high | 48 Ų | 48 | 30.1 Ų | 30.1 | 22% | 0.224 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.3 | -38.4 | 177.7 | -78.8 | -65.1 | 138.8 | 0 | 0 | 112.2 | V534 S535 I536 D540 K541 N542 Y605 | V534-E538 HydrophobicContact CG1-CG 4.5Å; V534-E538 WeakPolarHBondContact O-CB 3.34Å; V534-E538 PolarHBondContact O-N 3.04Å; S535-E538 PolarHBondContact O-N 3.35Å; I536-E538 VanDerWaalsContact C-N 3.32Å; I536-E538 PolarHBondContact O-N 2.83Å; E538-D540 VanDerWaalsContact C-N 3.32Å; E538-D540 PolarHBondContact O-N 3.05Å; E538-K541 PolarHBondContact O-N 3.44Å; E538-K541 IonicContact OE1-NZ 3.55Å; E538-K541 PolarHBondContact OE1-NZ 3.28Å; E538-K541 IonicContact OE2-NZ 3.61Å; E538-N542 VanDerWaalsContact O-CB 3.23Å; E538-N542 WeakPolarHBondContact O-CB 3.46Å; E538-N542 PolarHBondContact O-N 3.16Å; E538-N542 PolarHBondContact O-ND2 3.47Å; E538-N542 PolarHBondContact OE2-ND2 3.4Å; E538-Y605 HydrophobicContact CG-CE1 4.28Å; E538-Y605 WeakPolarHBondContact OE1-CE1 3.43Å |
| 539 | E | 96.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 33 Ų | 33 | 28% | 0.28 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 172 | -169.6 | -179.8 | 115.7 | 0 | 0 | 111.5 | R432 A437 S535 I536 N542 S543 Y544 | R432-E539 IonicContact CZ-OE1 3.48Å; R432-E539 IonicContact NH1-OE1 2.66Å; R432-E539 PolarHBondContact NH1-OE1 3.37Å; A437-E539 HydrophobicContact CB-CG 4.1Å; S535-E539 WeakPolarHBondContact O-CB 3.48Å; S535-E539 PolarHBondContact O-N 3.19Å; I536-E539 PolarHBondContact O-N 3.49Å; E539-N542 PolarHBondContact O-N 3.09Å; E539-S543 WeakPolarHBondContact O-CA 3.27Å; E539-S543 VanDerWaalsContact O-CB 3.25Å; E539-S543 WeakPolarHBondContact O-CB 3.44Å; E539-S543 PolarHBondContact O-N 3.38Å; E539-Y544 HydrophobicContact CG-CD2 4.39Å; E539-Y544 HydrophobicContact CG-CE2 3.89Å; E539-Y544 PolarHBondContact O-N 3.03Å; E539-Y544 VanDerWaalsContact OE1-CE2 3.27Å; E539-Y544 WeakPolarHBondContact OE1-CE2 3.48Å; E539-Y544 PolarHBondContact OE1-OH 3.16Å |
| 540 | D | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -67.6 | -38 | 178.6 | -70 | -14 | 0 | 0 | 0 | 113.5 | Y431 R432 L484 I536 I537 E538 Y544 T545 V557 S561 | Y431-D540 PolarHBondContact OH-OD1 3.49Å; R432-D540 IonicContact CZ-OD1 3.98Å; R432-D540 VanDerWaalsContact CZ-OD1 3.23Å; R432-D540 IonicContact CZ-OD2 2.83Å; R432-D540 IonicContact NH1-OD1 3.07Å; R432-D540 PolarHBondContact NH1-OD1 3.3Å; R432-D540 IonicContact NH2-OD1 3.86Å; R432-D540 PolarHBondContact NH2-OD1 2.71Å; R432-D540 IonicContact NH2-OD2 3.85Å; R432-D540 PolarHBondContact NH2-OD2 2.78Å; L484-D540 VanDerWaalsContact CD2-OD2 3.3Å; L484-D540 WeakPolarHBondContact CD2-OD2 3.16Å; I536-D540 VanDerWaalsContact O-CG 3.28Å; I536-D540 PolarHBondContact O-N 2.98Å; I537-D540 PolarHBondContact O-N 3.03Å; E538-D540 VanDerWaalsContact C-N 3.32Å; E538-D540 PolarHBondContact O-N 3.05Å; D540-Y544 VanDerWaalsContact OD1-CD2 3.25Å; D540-Y544 WeakPolarHBondContact OD1-CD2 3.44Å; D540-T545 WeakPolarHBondContact O-CB 3.47Å; D540-T545 PolarHBondContact O-N 2.89Å; D540-T545 PolarHBondContact O-OG1 3.12Å; D540-V557 HydrophobicContact CB-CG1 4.13Å; D540-S561 WeakPolarHBondContact OD2-CB 3.15Å; D540-S561 PolarHBondContact OD2-OG 3.05Å |
| 541 | K | 95.6 | Very high | 95.9 | Very high | 99 Ų | 99 | 36.8 Ų | 36.8 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -70.4 | -42.6 | 176.3 | -179.1 | 179.5 | 163.7 | -164.5 | 0 | 112 | I537 E538 T545 | I537-K541 VanDerWaalsContact O-CB 3.28Å; I537-K541 WeakPolarHBondContact O-CB 3.04Å; I537-K541 PolarHBondContact O-N 3.34Å; E538-K541 PolarHBondContact O-N 3.44Å; E538-K541 IonicContact OE1-NZ 3.55Å; E538-K541 PolarHBondContact OE1-NZ 3.28Å; E538-K541 IonicContact OE2-NZ 3.61Å; K541-T545 WeakPolarHBondContact O-CB 3.41Å |
| 542 | N | 96.2 | Very high | 95.6 | Very high | 96 Ų | 96 | 39.7 Ų | 39.7 | 51% | 0.513 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -91.7 | -32.6 | -170 | -61.6 | -33.6 | 0 | 0 | 0 | 113.4 | E538 E539 P546 | E538-N542 VanDerWaalsContact O-CB 3.23Å; E538-N542 WeakPolarHBondContact O-CB 3.46Å; E538-N542 PolarHBondContact O-N 3.16Å; E538-N542 PolarHBondContact O-ND2 3.47Å; E538-N542 PolarHBondContact OE2-ND2 3.4Å; E539-N542 PolarHBondContact O-N 3.09Å; N542-P546 WeakPolarHBondContact O-CG 3.36Å |
| 543 | S | 95.4 | Very high | 95.3 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -105.7 | -54.2 | -174.9 | -55.3 | 0 | 0 | 0 | 0 | 112.4 | E539 P546 | E539-S543 WeakPolarHBondContact O-CA 3.27Å; E539-S543 VanDerWaalsContact O-CB 3.25Å; E539-S543 WeakPolarHBondContact O-CB 3.44Å; E539-S543 PolarHBondContact O-N 3.38Å; S543-P546 WeakPolarHBondContact O-CD 3.49Å |
| 544 | Y | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -82.9 | -31.8 | -171.6 | -62.1 | -73.2 | 0 | 0 | 0 | 113.7 | Y431 R432 F435 A437 L443 L446 E539 D540 C547 L548 | Y431-Y544 AromaticContact CD2-CD1 3.73Å; Y431-Y544 HydrophobicContact CD2-CD1 3.73Å; Y431-Y544 AromaticContact CD2-CE1 3.69Å; Y431-Y544 HydrophobicContact CD2-CE1 3.69Å; Y431-Y544 HydrophobicContact CD2-CG 4.22Å; Y431-Y544 AromaticContact CE2-CD1 3.61Å; Y431-Y544 HydrophobicContact CE2-CD1 3.61Å; Y431-Y544 AromaticContact CE2-CD2 3.74Å; Y431-Y544 HydrophobicContact CE2-CD2 3.74Å; Y431-Y544 AromaticContact CE2-CE1 3.77Å; Y431-Y544 HydrophobicContact CE2-CE1 3.77Å; Y431-Y544 AromaticContact CE2-CE2 3.88Å; Y431-Y544 HydrophobicContact CE2-CE2 3.88Å; Y431-Y544 AromaticContact CE2-CG 3.6Å; Y431-Y544 HydrophobicContact CE2-CG 3.6Å; Y431-Y544 AromaticContact CE2-CZ 3.91Å; R432-Y544 HydrophobicContact CG-CE2 4.45Å; F435-Y544 WeakPolarHBondContact O-CE1 3.35Å; F435-Y544 PolarHBondContact O-OH 3.11Å; A437-Y544 HydrophobicContact CB-CE2 4.25Å; A437-Y544 PolarHBondContact N-OH 2.57Å; L443-Y544 HydrophobicContact CD2-CD1 3.88Å; L443-Y544 HydrophobicContact CD2-CE1 3.69Å; L446-Y544 HydrophobicContact CD2-CD1 3.65Å; L446-Y544 HydrophobicContact CD2-CE1 4.04Å; E539-Y544 HydrophobicContact CG-CD2 4.39Å; E539-Y544 HydrophobicContact CG-CE2 3.89Å; E539-Y544 PolarHBondContact O-N 3.03Å; E539-Y544 VanDerWaalsContact OE1-CE2 3.27Å; E539-Y544 WeakPolarHBondContact OE1-CE2 3.48Å; E539-Y544 PolarHBondContact OE1-OH 3.16Å; D540-Y544 VanDerWaalsContact OD1-CD2 3.25Å; D540-Y544 WeakPolarHBondContact OD1-CD2 3.44Å; Y544-C547 WeakPolarHBondContact O-CB 3.35Å; Y544-C547 PolarHBondContact O-N 3.47Å; Y544-L548 WeakPolarHBondContact O-CB 3.36Å; Y544-L548 PolarHBondContact O-N 3.27Å |
| 545 | T | 96.4 | Very high | 94.8 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 17% | 0.172 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | D540 K541 C547 G558 | D540-T545 WeakPolarHBondContact O-CB 3.47Å; D540-T545 PolarHBondContact O-N 2.89Å; D540-T545 PolarHBondContact O-OG1 3.12Å; K541-T545 WeakPolarHBondContact O-CB 3.41Å; T545-C547 VanDerWaalsContact C-N 3.3Å; T545-C547 PolarHBondContact O-N 3.45Å; T545-G558 PolarHBondContact OG1-N 2.56Å |
| 546 | P | 95.3 | Very high | 94.8 | Very high | 78 Ų | 78 | 52 Ų | 52 | 51% | 0.506 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.7 | -32.2 | 174.1 | -23.6 | 35.9 | 0 | 0 | 0 | 113.4 | N542 S543 | N542-P546 WeakPolarHBondContact O-CG 3.36Å; S543-P546 WeakPolarHBondContact O-CD 3.49Å |
| 547 | C | 94.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 10% | 0.101 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -51.5 | 176.9 | -180 | 0 | 0 | 0 | 0 | 111.6 | L443 K447 Y544 T545 N549 | L443-C547 PolarHBondContact O-SG 3.5Å; K447-C547 PolarHBondContact NZ-O 3.45Å; Y544-C547 WeakPolarHBondContact O-CB 3.35Å; Y544-C547 PolarHBondContact O-N 3.47Å; T545-C547 VanDerWaalsContact C-N 3.3Å; T545-C547 PolarHBondContact O-N 3.45Å; C547-N549 VanDerWaalsContact C-N 3.31Å; C547-N549 PolarHBondContact O-N 3.35Å; C547-N549 VanDerWaalsContact O-N 3.15Å |
| 548 | L | 95.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | trans | -90.1 | 56.1 | -177.2 | -63.5 | -174.4 | 0 | 0 | 0 | 112.9 | L446 V450 Y544 Q550 L555 V557 | L446-L548 HydrophobicContact CD1-CD2 4.33Å; L446-L548 HydrophobicContact CD2-CD2 4.41Å; L446-L548 HydrophobicContact CD2-CG 4.41Å; L446-L548 HydrophobicContact CG-CD2 3.97Å; L446-L548 HydrophobicContact CG-CG 4.49Å; V450-L548 HydrophobicContact CB-CD2 4.11Å; V450-L548 HydrophobicContact CG2-CD2 3.54Å; Y544-L548 WeakPolarHBondContact O-CB 3.36Å; Y544-L548 PolarHBondContact O-N 3.27Å; L548-Q550 VanDerWaalsContact C-OE1 3.25Å; L548-Q550 VanDerWaalsContact CA-OE1 3.3Å; L548-L555 HydrophobicContact CB-CD2 4.36Å; L548-V557 HydrophobicContact CB-CG2 3.97Å; L548-V557 HydrophobicContact CD1-CG2 3.91Å; L548-V557 HydrophobicContact CG-CG2 4.44Å | ||
| 549 | N | 93.8 | Very high | 94.6 | Very high | 89 Ų | 89 | 54.7 Ų | 54.7 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | trans | -93.2 | 12.2 | -176.1 | 71.8 | -5 | 0 | 0 | 0 | 114.8 | K447 C547 F551 P552 | K447-N549 PolarHBondContact NZ-OD1 3.04Å; C547-N549 VanDerWaalsContact C-N 3.31Å; C547-N549 PolarHBondContact O-N 3.35Å; C547-N549 VanDerWaalsContact O-N 3.15Å; N549-F551 PolarHBondContact O-N 3.44Å; N549-P552 WeakPolarHBondContact O-CD 3.11Å | ||
| 550 | Q | 93 | Very high | 94.6 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 20% | 0.201 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -64.9 | -26.8 | -179.1 | -66.9 | 82.4 | -3 | 0 | 0 | 113 | K447 V450 D451 L548 | K447-Q550 VanDerWaalsContact CG-NE2 3.32Å; K447-Q550 PolarHBondContact O-NE2 3.19Å; V450-Q550 HydrophobicContact CG1-CG 4.26Å; D451-Q550 VanDerWaalsContact OD1-CG 3.23Å; D451-Q550 WeakPolarHBondContact OD1-CG 3.48Å; D451-Q550 PolarHBondContact OD1-NE2 3.01Å; L548-Q550 VanDerWaalsContact C-OE1 3.25Å; L548-Q550 VanDerWaalsContact CA-OE1 3.3Å |
| 551 | F | 93.8 | Very high | 94.6 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 18% | 0.18 | 27% | 0.273 | C | S | . | . | trans | -131.8 | 61.1 | -175.4 | -47.5 | -70.6 | 0 | 0 | 0 | 112.4 | V450 T454 A472 N549 Q553 E554 L555 | V450-F551 HydrophobicContact CG1-CE2 4.33Å; T454-F551 HydrophobicContact CG2-CE1 4.38Å; T454-F551 HydrophobicContact CG2-CE2 4.16Å; T454-F551 HydrophobicContact CG2-CZ 3.5Å; T454-F551 VanDerWaalsContact CG2-CZ 3.5Å; A472-F551 HydrophobicContact CB-CE1 4.5Å; A472-F551 HydrophobicContact CB-CE2 4.41Å; A472-F551 HydrophobicContact CB-CZ 3.71Å; N549-F551 PolarHBondContact O-N 3.44Å; F551-Q553 PolarHBondContact O-N 3.31Å; F551-E554 HydrophobicContact CB-CB 4.34Å; F551-E554 PolarHBondContact O-N 3.31Å; F551-L555 HydrophobicContact CB-CB 3.97Å; F551-L555 HydrophobicContact CD2-CD2 4.41Å; F551-L555 PolarHBondContact O-N 2.87Å | ||
| 552 | P | 89.2 | Confident | 94.6 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 66% | 0.662 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.3 | -166.2 | 25.6 | -33.8 | 0 | 0 | 0 | 114.4 | N549 | N549-P552 WeakPolarHBondContact O-CD 3.11Š|
| 553 | Q | 89.7 | Confident | 94.6 | Very high | 191 Ų | 191 | 44.7 Ų | 44.7 | 89% | 0.893 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -21.7 | 177.2 | -64.6 | -175.8 | -4.5 | 0 | 0 | 113.6 | F551 | F551-Q553 PolarHBondContact O-N 3.31Š|
| 554 | E | 90.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 43.5 Ų | 43.5 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -28.5 | -170.6 | -67.6 | 172.8 | -143.2 | 0 | 0 | 113.1 | R471 S473 F551 | R471-E554 IonicContact CZ-OE1 3.07Å; R471-E554 VanDerWaalsContact CZ-OE1 3.29Å; R471-E554 IonicContact CZ-OE2 3.93Å; R471-E554 VanDerWaalsContact CZ-OE2 3.32Å; R471-E554 IonicContact NE-OE1 3.62Å; R471-E554 IonicContact NE-OE2 2.73Å; R471-E554 PolarHBondContact NE-OE2 3.32Å; R471-E554 VanDerWaalsContact NH2-CD 3.34Å; R471-E554 IonicContact NH2-OE1 3.77Å; R471-E554 PolarHBondContact NH2-OE1 2.95Å; R471-E554 IonicContact NH2-OE2 3.06Å; R471-E554 PolarHBondContact NH2-OE2 3.02Å; S473-E554 VanDerWaalsContact CB-OE2 3.28Å; S473-E554 WeakPolarHBondContact CB-OE2 3.5Å; S473-E554 PolarHBondContact OG-OE2 3.4Å; F551-E554 HydrophobicContact CB-CB 4.34Å; F551-E554 PolarHBondContact O-N 3.31Å |
| 555 | L | 93.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | trans | -127 | 115.5 | -176.5 | -169.6 | 80.7 | 0 | 0 | 0 | 109.3 | V476 K477 L548 F551 I560 | V476-L555 HydrophobicContact CB-CD2 4.4Å; V476-L555 HydrophobicContact CG1-CD1 4.44Å; V476-L555 HydrophobicContact CG1-CD2 3.64Å; K477-L555 HydrophobicContact CB-CD1 3.72Å; K477-L555 HydrophobicContact CG-CD1 4.27Å; L548-L555 HydrophobicContact CB-CD2 4.36Å; F551-L555 HydrophobicContact CB-CB 3.97Å; F551-L555 HydrophobicContact CD2-CD2 4.41Å; F551-L555 PolarHBondContact O-N 2.87Å; L555-I560 HydrophobicContact CD1-CD1 3.57Å; L555-I560 HydrophobicContact CG-CD1 4.34Å | ||
| 556 | N | 95.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | trans | -131.2 | 107.7 | 167.1 | -178.1 | -56.7 | 0 | 0 | 0 | 106.9 | G558 K559 I560 | N556-G558 VanDerWaalsContact C-N 3.34Å; N556-G558 PolarHBondContact O-N 2.86Å; N556-G558 PolarHBondContact OD1-N 2.87Å; N556-K559 HydrophobicContact CB-CB 4.12Å; N556-K559 HydrophobicContact CB-CD 4.15Å; N556-K559 HydrophobicContact CB-CG 4.19Å; N556-K559 PolarHBondContact O-N 2.93Å; N556-K559 PolarHBondContact OD1-N 3.02Å; N556-I560 WeakPolarHBondContact O-CD1 3.42Å; N556-I560 WeakPolarHBondContact O-CG1 3.35Å; N556-I560 PolarHBondContact O-N 2.84Å | ||
| 557 | V | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | -170.6 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | V480 D540 L548 K559 I560 S561 | V480-V557 HydrophobicContact CG1-CG1 3.99Å; D540-V557 HydrophobicContact CB-CG1 4.13Å; L548-V557 HydrophobicContact CB-CG2 3.97Å; L548-V557 HydrophobicContact CD1-CG2 3.91Å; L548-V557 HydrophobicContact CG-CG2 4.44Å; V557-K559 PolarHBondContact O-N 3.36Å; V557-I560 PolarHBondContact O-N 3.06Å; V557-S561 VanDerWaalsContact O-CB 3.31Å; V557-S561 WeakPolarHBondContact O-CB 3.17Å; V557-S561 PolarHBondContact O-N 3.43Å |
| 558 | G | 95.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T545 N556 S561 A562 | T545-G558 PolarHBondContact OG1-N 2.56Å; N556-G558 VanDerWaalsContact C-N 3.34Å; N556-G558 PolarHBondContact O-N 2.86Å; N556-G558 PolarHBondContact OD1-N 2.87Å; G558-S561 WeakPolarHBondContact O-CB 3.46Å; G558-S561 PolarHBondContact O-N 3.46Å; G558-A562 PolarHBondContact O-N 3.28Å |
| 559 | K | 95.4 | Very high | 95 | Very high | 117 Ų | 117 | 43.1 Ų | 43.1 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 175.4 | -71.1 | -174.8 | 179.4 | -173 | 0 | 112.5 | N556 V557 S561 E563 L609 | N556-K559 HydrophobicContact CB-CB 4.12Å; N556-K559 HydrophobicContact CB-CD 4.15Å; N556-K559 HydrophobicContact CB-CG 4.19Å; N556-K559 PolarHBondContact O-N 2.93Å; N556-K559 PolarHBondContact OD1-N 3.02Å; V557-K559 PolarHBondContact O-N 3.36Å; K559-S561 VanDerWaalsContact C-N 3.35Å; K559-E563 PolarHBondContact O-N 3.27Å; K559-E563 VanDerWaalsContact O-N 3.1Å; K559-L609 HydrophobicContact CB-CD2 3.9Å; K559-L609 HydrophobicContact CD-CD2 4.35Å; K559-L609 HydrophobicContact CG-CD2 3.9Å |
| 560 | I | 96.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 176.9 | -64.3 | 159.8 | 0 | 0 | 0 | 110.2 | K477 V480 K481 L484 L555 N556 V557 E563 V564 | K477-I560 HydrophobicContact CD-CD1 4.26Å; K477-I560 HydrophobicContact CG-CD1 3.89Å; V480-I560 HydrophobicContact CG1-CG2 4.05Å; K481-I560 HydrophobicContact CG-CG2 3.87Å; L484-I560 HydrophobicContact CD1-CG2 3.93Å; L555-I560 HydrophobicContact CD1-CD1 3.57Å; L555-I560 HydrophobicContact CG-CD1 4.34Å; N556-I560 WeakPolarHBondContact O-CD1 3.42Å; N556-I560 WeakPolarHBondContact O-CG1 3.35Å; N556-I560 PolarHBondContact O-N 2.84Å; V557-I560 PolarHBondContact O-N 3.06Å; I560-E563 PolarHBondContact O-N 3.36Å; I560-V564 HydrophobicContact CG2-CG2 4.19Å; I560-V564 WeakPolarHBondContact O-CG2 3.1Å; I560-V564 PolarHBondContact O-N 3.38Å |
| 561 | S | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -53.9 | 174.7 | -171.9 | 0 | 0 | 0 | 0 | 111 | L484 D540 V557 G558 K559 E563 V564 M565 | L484-S561 WeakPolarHBondContact CD2-OG 3.48Å; D540-S561 WeakPolarHBondContact OD2-CB 3.15Å; D540-S561 PolarHBondContact OD2-OG 3.05Å; V557-S561 VanDerWaalsContact O-CB 3.31Å; V557-S561 WeakPolarHBondContact O-CB 3.17Å; V557-S561 PolarHBondContact O-N 3.43Å; G558-S561 WeakPolarHBondContact O-CB 3.46Å; G558-S561 PolarHBondContact O-N 3.46Å; K559-S561 VanDerWaalsContact C-N 3.35Å; S561-E563 VanDerWaalsContact C-N 3.32Å; S561-E563 PolarHBondContact O-N 3.14Å; S561-V564 PolarHBondContact O-N 3.47Å; S561-M565 VanDerWaalsContact O-CB 3.24Å; S561-M565 WeakPolarHBondContact O-CB 3.35Å; S561-M565 WeakPolarHBondContact O-CG 3.25Å; S561-M565 PolarHBondContact O-N 3.04Å |
| 562 | A | 97 | Very high | 95.3 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.6 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I537 G558 W566 L609 | I537-A562 HydrophobicContact CD1-CB 4.37Å; I537-A562 HydrophobicContact CG2-CB 4.12Å; G558-A562 PolarHBondContact O-N 3.28Å; A562-W566 WeakPolarHBondContact O-CB 3.27Å; A562-W566 PolarHBondContact O-N 3.03Å; A562-L609 HydrophobicContact CB-CD1 4Å |
| 563 | E | 95.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 40 Ų | 40 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.8 | -50.2 | 178.6 | -176.3 | 178.2 | -155.7 | 0 | 0 | 112.8 | K559 I560 S561 N567 L609 T611 F612 | K559-E563 PolarHBondContact O-N 3.27Å; K559-E563 VanDerWaalsContact O-N 3.1Å; I560-E563 PolarHBondContact O-N 3.36Å; S561-E563 VanDerWaalsContact C-N 3.32Å; S561-E563 PolarHBondContact O-N 3.14Å; E563-N567 WeakPolarHBondContact O-CB 3.35Å; E563-N567 PolarHBondContact O-N 3.3Å; E563-N567 PolarHBondContact O-ND2 2.86Å; E563-L609 HydrophobicContact CB-CD1 4.1Å; E563-T611 PolarHBondContact OE1-OG1 3.24Å; E563-F612 HydrophobicContact CG-CE2 4.41Å |
| 564 | V | 96.8 | Very high | 96 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.8 | -48.1 | -176.8 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | K481 L484 N485 I560 S561 W566 N567 M568 | K481-V564 HydrophobicContact CB-CG2 4.47Å; K481-V564 HydrophobicContact CD-CG2 4.47Å; K481-V564 HydrophobicContact CG-CG2 3.9Å; L484-V564 HydrophobicContact CB-CB 4.17Å; L484-V564 HydrophobicContact CB-CG1 3.73Å; L484-V564 HydrophobicContact CD1-CB 4.05Å; L484-V564 HydrophobicContact CD1-CG2 4.08Å; N485-V564 WeakPolarHBondContact OD1-CG1 3.41Å; I560-V564 HydrophobicContact CG2-CG2 4.19Å; I560-V564 WeakPolarHBondContact O-CG2 3.1Å; I560-V564 PolarHBondContact O-N 3.38Å; S561-V564 PolarHBondContact O-N 3.47Å; V564-W566 VanDerWaalsContact C-N 3.3Å; V564-W566 PolarHBondContact O-N 2.97Å; V564-N567 PolarHBondContact O-N 3Å; V564-M568 HydrophobicContact CG1-SD 4.18Å; V564-M568 WeakPolarHBondContact O-CG 3.42Å; V564-M568 PolarHBondContact O-N 3.08Å |
| 565 | M | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | -178.5 | -62.9 | -62.6 | -74.4 | 0 | 0 | 111 | L484 Y488 I491 I533 I536 I537 S561 F569 | L484-M565 HydrophobicContact CD2-CG 4.41Å; L484-M565 HydrophobicContact CD2-SD 4.33Å; Y488-M565 HydrophobicContact CD2-CE 4.1Å; Y488-M565 HydrophobicContact CD2-SD 4.41Å; I491-M565 HydrophobicContact CD1-CE 3.57Å; I533-M565 HydrophobicContact CB-CE 4.47Å; I533-M565 HydrophobicContact CG1-CE 4.07Å; I533-M565 HydrophobicContact CG2-CB 3.97Å; I533-M565 HydrophobicContact CG2-CE 4.43Å; I536-M565 HydrophobicContact CB-CE 4.08Å; I536-M565 HydrophobicContact CG1-CE 4.3Å; I536-M565 HydrophobicContact CG2-CE 3.88Å; I536-M565 HydrophobicContact CG2-CG 4.46Å; I536-M565 HydrophobicContact CG2-SD 4.22Å; I537-M565 HydrophobicContact CD1-CB 4.28Å; I537-M565 HydrophobicContact CG1-CB 4.34Å; I537-M565 HydrophobicContact CG1-CG 4.27Å; S561-M565 VanDerWaalsContact O-CB 3.24Å; S561-M565 WeakPolarHBondContact O-CB 3.35Å; S561-M565 WeakPolarHBondContact O-CG 3.25Å; S561-M565 PolarHBondContact O-N 3.04Å; M565-F569 WeakPolarHBondContact O-CB 3.2Å; M565-F569 PolarHBondContact O-N 3.26Å |
| 566 | W | 97.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 6% | 0.057 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.2 | 172.6 | -97.9 | 0 | 0 | 0 | 112.4 | A562 V564 M568 F569 A570 V598 L601 Y602 C606 F612 Y619 W622 | A562-W566 WeakPolarHBondContact O-CB 3.27Å; A562-W566 PolarHBondContact O-N 3.03Å; V564-W566 VanDerWaalsContact C-N 3.3Å; V564-W566 PolarHBondContact O-N 2.97Å; W566-M568 VanDerWaalsContact C-N 3.33Å; W566-M568 PolarHBondContact O-N 3.5Å; W566-F569 HydrophobicContact CE3-CD1 4.18Å; W566-F569 HydrophobicContact CZ3-CD1 4.16Å; W566-F569 HydrophobicContact CZ3-CE1 4.22Å; W566-F569 PolarHBondContact O-N 3.02Å; W566-A570 HydrophobicContact CZ2-CB 4.4Å; W566-A570 WeakPolarHBondContact O-CB 3.49Å; W566-A570 PolarHBondContact O-N 3.45Å; W566-V598 HydrophobicContact CH2-CG1 3.84Å; W566-V598 HydrophobicContact CZ3-CG1 4.06Å; W566-L601 HydrophobicContact CE3-CD2 4.2Å; W566-L601 HydrophobicContact CE3-CG 4.47Å; W566-L601 HydrophobicContact CZ3-CD2 4.27Å; W566-Y602 AromaticContact CD2-CD2 3.88Å; W566-Y602 HydrophobicContact CD2-CD2 3.88Å; W566-Y602 HydrophobicContact CD2-CE2 4.46Å; W566-Y602 AromaticContact CE2-CD2 3.43Å; W566-Y602 VanDerWaalsContact CE2-CD2 3.43Å; W566-Y602 AromaticContact CE2-CE2 3.78Å; W566-Y602 HydrophobicContact CE3-CD2 4.09Å; W566-Y602 AromaticContact CH2-CD2 3.52Å; W566-Y602 HydrophobicContact CH2-CD2 3.52Å; W566-Y602 HydrophobicContact CH2-CE2 4.47Å; W566-Y602 HydrophobicContact CH2-CG 4.06Å; W566-Y602 AromaticContact CZ2-CD2 3.27Å; W566-Y602 HydrophobicContact CZ2-CD2 3.27Å; W566-Y602 AromaticContact CZ2-CE2 3.8Å; W566-Y602 HydrophobicContact CZ2-CE2 3.8Å; W566-Y602 HydrophobicContact CZ2-CG 4.2Å; W566-Y602 AromaticContact CZ3-CD2 3.92Å; W566-Y602 HydrophobicContact CZ3-CD2 3.92Å; W566-Y602 HydrophobicContact CZ3-CG 4.38Å; W566-Y602 AromaticContact NE1-CE2 3.89Å; W566-C606 WeakPolarHBondContact CB-SG 3.42Å; W566-C606 HydrophobicContact CG-CB 4.48Å; W566-C606 VanDerWaalsContact CG-SG 3.55Å; W566-F612 AromaticContact CD1-CZ 3.54Å; W566-Y619 HydrophobicContact CH2-CD1 4.04Å; W566-Y619 HydrophobicContact CH2-CG 4.18Å; W566-Y619 HydrophobicContact CZ2-CD1 4.24Å; W566-W622 HydrophobicContact CH2-CH2 4.39Å; W566-W622 HydrophobicContact CZ2-CH2 4.09Å |
| 567 | N | 95.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 36.3 Ų | 36.3 | 32% | 0.321 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.7 | -39.4 | -176.8 | -76.3 | -30.4 | 0 | 0 | 0 | 112.5 | E563 V564 Q571 F612 | E563-N567 WeakPolarHBondContact O-CB 3.35Å; E563-N567 PolarHBondContact O-N 3.3Å; E563-N567 PolarHBondContact O-ND2 2.86Å; V564-N567 PolarHBondContact O-N 3Å; N567-Q571 WeakPolarHBondContact O-CG 3.27Å; N567-Q571 PolarHBondContact O-N 3.35Å; N567-F612 WeakPolarHBondContact OD1-CZ 3.42Å |
| 568 | M | 96.8 | Very high | 96.3 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 22% | 0.217 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.6 | -49.1 | 175.1 | -64.2 | -175.8 | 80.7 | 0 | 0 | 111.3 | N485 Y488 V564 W566 A570 Q571 D572 | N485-M568 HydrophobicContact CB-CE 4.29Å; N485-M568 HydrophobicContact CB-SD 4.19Å; N485-M568 PolarHBondContact OD1-SD 3Å; Y488-M568 VanDerWaalsContact CB-SD 3.51Å; Y488-M568 HydrophobicContact CD1-CB 3.77Å; Y488-M568 HydrophobicContact CD1-CE 3.35Å; Y488-M568 HydrophobicContact CD1-CG 4.41Å; Y488-M568 HydrophobicContact CD1-SD 3.83Å; Y488-M568 HydrophobicContact CD2-CB 3.88Å; Y488-M568 HydrophobicContact CD2-SD 4.48Å; Y488-M568 HydrophobicContact CE1-CB 3.8Å; Y488-M568 HydrophobicContact CE1-CE 4.16Å; Y488-M568 HydrophobicContact CE2-CB 3.93Å; Y488-M568 HydrophobicContact CG-CB 3.79Å; Y488-M568 HydrophobicContact CG-CE 3.84Å; Y488-M568 HydrophobicContact CG-CG 4.4Å; Y488-M568 HydrophobicContact CG-SD 3.68Å; V564-M568 HydrophobicContact CG1-SD 4.18Å; V564-M568 WeakPolarHBondContact O-CG 3.42Å; V564-M568 PolarHBondContact O-N 3.08Å; W566-M568 VanDerWaalsContact C-N 3.33Å; W566-M568 PolarHBondContact O-N 3.5Å; M568-A570 VanDerWaalsContact C-N 3.29Å; M568-A570 PolarHBondContact O-N 3.14Å; M568-Q571 PolarHBondContact O-N 3.19Å; M568-D572 PolarHBondContact O-N 2.82Å |
| 569 | F | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.6 | -42.3 | 176 | 172.8 | -102.2 | 0 | 0 | 0 | 113 | Y488 W526 L529 I530 I533 M565 W566 Q571 D572 M573 V598 L601 | Y488-F569 HydrophobicContact CE2-CB 4.02Å; Y488-F569 WeakPolarHBondContact OH-CA 3.31Å; W526-F569 HydrophobicContact CE3-CE2 4.1Å; L529-F569 HydrophobicContact CD2-CD2 4.17Å; L529-F569 HydrophobicContact CD2-CE2 4.48Å; I530-F569 HydrophobicContact CD1-CE2 4.39Å; I530-F569 HydrophobicContact CD1-CZ 3.88Å; I530-F569 HydrophobicContact CG1-CE2 3.75Å; I530-F569 HydrophobicContact CG1-CZ 3.62Å; I533-F569 HydrophobicContact CD1-CB 3.81Å; I533-F569 HydrophobicContact CD1-CD2 3.51Å; I533-F569 HydrophobicContact CD1-CE2 4.31Å; I533-F569 HydrophobicContact CD1-CG 3.8Å; M565-F569 WeakPolarHBondContact O-CB 3.2Å; M565-F569 PolarHBondContact O-N 3.26Å; W566-F569 HydrophobicContact CE3-CD1 4.18Å; W566-F569 HydrophobicContact CZ3-CD1 4.16Å; W566-F569 HydrophobicContact CZ3-CE1 4.22Å; W566-F569 PolarHBondContact O-N 3.02Å; F569-Q571 PolarHBondContact O-N 3.38Å; F569-D572 PolarHBondContact O-N 3.42Å; F569-M573 HydrophobicContact CE1-CB 4.29Å; F569-M573 HydrophobicContact CE1-CE 4.4Å; F569-M573 HydrophobicContact CE1-CG 4.46Å; F569-M573 HydrophobicContact CE2-CB 4.49Å; F569-M573 HydrophobicContact CE2-CE 3.7Å; F569-M573 HydrophobicContact CZ-CB 4.23Å; F569-M573 HydrophobicContact CZ-CE 3.43Å; F569-M573 VanDerWaalsContact CZ-CE 3.43Å; F569-M573 HydrophobicContact CZ-CG 4.31Å; F569-M573 WeakPolarHBondContact O-CB 3.22Å; F569-M573 PolarHBondContact O-N 3.23Å; F569-V598 HydrophobicContact CE1-CG1 4.33Å; F569-V598 HydrophobicContact CE1-CG2 4.06Å; F569-V598 HydrophobicContact CZ-CG2 3.93Å; F569-L601 HydrophobicContact CD1-CD2 4.11Å; F569-L601 HydrophobicContact CE1-CD2 4.02Å |
| 570 | A | 96.4 | Very high | 96.2 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | W566 M568 K574 W622 | W566-A570 HydrophobicContact CZ2-CB 4.4Å; W566-A570 WeakPolarHBondContact O-CB 3.49Å; W566-A570 PolarHBondContact O-N 3.45Å; M568-A570 VanDerWaalsContact C-N 3.29Å; M568-A570 PolarHBondContact O-N 3.14Å; A570-K574 WeakPolarHBondContact O-CB 3.48Å; A570-K574 PolarHBondContact O-N 3.17Å; A570-W622 HydrophobicContact CB-CH2 3.49Å; A570-W622 VanDerWaalsContact CB-CH2 3.49Å; A570-W622 HydrophobicContact CB-CZ2 4.05Å; A570-W622 HydrophobicContact CB-CZ3 4.46Å |
| 571 | Q | 95.4 | Very high | 96.1 | Very high | 141 Ų | 141 | 41 Ų | 41 | 66% | 0.659 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63.7 | -48 | 177.6 | -72.4 | 173.5 | 12.9 | 0 | 0 | 111.3 | N567 M568 F569 Y575 | N567-Q571 WeakPolarHBondContact O-CG 3.27Å; N567-Q571 PolarHBondContact O-N 3.35Å; M568-Q571 PolarHBondContact O-N 3.19Å; F569-Q571 PolarHBondContact O-N 3.38Å; Q571-Y575 PolarHBondContact O-N 2.92Å |
| 572 | D | 96.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.3 | -42.2 | 179.8 | -68.7 | -29.5 | 0 | 0 | 0 | 112.1 | Y488 F492 W526 M568 F569 Y575 A576 | Y488-D572 WeakPolarHBondContact CE1-OD2 3.44Å; Y488-D572 VanDerWaalsContact CZ-OD2 3.27Å; Y488-D572 PolarHBondContact OH-OD2 3.07Å; F492-D572 HydrophobicContact CE2-CB 4.22Å; W526-D572 HydrophobicContact CH2-CB 3.96Å; W526-D572 HydrophobicContact CZ3-CB 4.14Å; M568-D572 PolarHBondContact O-N 2.82Å; F569-D572 PolarHBondContact O-N 3.42Å; D572-Y575 PolarHBondContact O-N 3.23Å; D572-A576 WeakPolarHBondContact O-CB 3.29Å; D572-A576 PolarHBondContact O-N 3.49Å |
| 573 | M | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 177.8 | 179.5 | 56.2 | 69.4 | 0 | 0 | 111.5 | W526 F569 A576 M577 L594 V598 W622 F623 | W526-M573 HydrophobicContact CB-CE 3.76Å; W526-M573 HydrophobicContact CD2-CE 3.51Å; W526-M573 HydrophobicContact CD2-SD 4.37Å; W526-M573 HydrophobicContact CE3-CE 3.46Å; W526-M573 VanDerWaalsContact CE3-CE 3.46Å; W526-M573 HydrophobicContact CG-CE 3.65Å; W526-M573 HydrophobicContact CZ3-CE 4.27Å; F569-M573 HydrophobicContact CE1-CB 4.29Å; F569-M573 HydrophobicContact CE1-CE 4.4Å; F569-M573 HydrophobicContact CE1-CG 4.46Å; F569-M573 HydrophobicContact CE2-CB 4.49Å; F569-M573 HydrophobicContact CE2-CE 3.7Å; F569-M573 HydrophobicContact CZ-CB 4.23Å; F569-M573 HydrophobicContact CZ-CE 3.43Å; F569-M573 VanDerWaalsContact CZ-CE 3.43Å; F569-M573 HydrophobicContact CZ-CG 4.31Å; F569-M573 WeakPolarHBondContact O-CB 3.22Å; F569-M573 PolarHBondContact O-N 3.23Å; M573-A576 PolarHBondContact O-N 3.33Å; M573-M577 HydrophobicContact CG-CG 4.4Å; M573-M577 WeakPolarHBondContact O-CG 3.42Å; M573-M577 PolarHBondContact O-N 3.33Å; M573-M577 HydrophobicContact SD-CE 3.81Å; M573-M577 HydrophobicContact SD-CG 3.89Å; M573-M577 HydrophobicContact SD-SD 4.28Å; M573-L594 HydrophobicContact CE-CD1 4.15Å; M573-L594 HydrophobicContact CE-CD2 4.07Å; M573-L594 HydrophobicContact CE-CG 4.38Å; M573-L594 HydrophobicContact SD-CD2 4.13Å; M573-V598 HydrophobicContact CE-CG2 4.31Å; M573-W622 HydrophobicContact CB-CE3 4.22Å; M573-W622 HydrophobicContact CB-CZ3 4.03Å; M573-W622 HydrophobicContact CG-CE3 3.63Å; M573-W622 HydrophobicContact CG-CZ3 3.77Å; M573-F623 HydrophobicContact CG-CZ 4.46Å; M573-F623 HydrophobicContact SD-CZ 4.12Å |
| 574 | K | 96.3 | Very high | 95.4 | Very high | 83 Ų | 83 | 55 Ų | 55 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.1 | -52.2 | 176.2 | 179 | 177.9 | 180 | 176 | 0 | 111 | A570 A576 M577 E578 W622 | A570-K574 WeakPolarHBondContact O-CB 3.48Å; A570-K574 PolarHBondContact O-N 3.17Å; K574-A576 VanDerWaalsContact C-N 3.29Å; K574-A576 PolarHBondContact O-N 3.45Å; K574-M577 PolarHBondContact O-N 2.9Å; K574-E578 VanDerWaalsContact CE-OE1 3.32Å; K574-E578 WeakPolarHBondContact CE-OE1 3.08Å; K574-E578 WeakPolarHBondContact O-CG 3.31Å; K574-E578 PolarHBondContact O-N 3.25Å; K574-W622 HydrophobicContact CB-CD2 4.11Å; K574-W622 HydrophobicContact CB-CG 4.33Å; K574-W622 HydrophobicContact CB-CZ2 4.32Å; K574-W622 HydrophobicContact CG-CG 4.4Å |
| 575 | Y | 94.9 | Very high | 95.1 | Very high | 156 Ų | 156 | 59 Ų | 59 | 61% | 0.612 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.9 | -41.9 | 177.7 | 177.3 | -96.6 | 0 | 0 | 0 | 111.9 | Q571 D572 E578 E579 | Q571-Y575 PolarHBondContact O-N 2.92Å; D572-Y575 PolarHBondContact O-N 3.23Å; Y575-E578 PolarHBondContact O-N 2.99Å; Y575-E579 PolarHBondContact O-N 3.44Å; Y575-E579 VanDerWaalsContact O-N 3.08Å |
| 576 | A | 95.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W526 D572 M573 K574 E579 H580 | W526-A576 HydrophobicContact CH2-CB 3.94Å; W526-A576 HydrophobicContact CZ2-CB 3.2Å; D572-A576 WeakPolarHBondContact O-CB 3.29Å; D572-A576 PolarHBondContact O-N 3.49Å; M573-A576 PolarHBondContact O-N 3.33Å; K574-A576 VanDerWaalsContact C-N 3.29Å; K574-A576 PolarHBondContact O-N 3.45Å; A576-E579 PolarHBondContact O-N 3.05Å; A576-H580 PolarHBondContact O-CD2 3.46Å; A576-H580 PolarHBondContact O-N 3.07Å |
| 577 | M | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 178.7 | -69.3 | -55.9 | 96.8 | 0 | 0 | 112 | L523 M573 K574 E579 H580 E581 Y591 L594 W622 F623 F626 | L523-M577 HydrophobicContact CD2-CE 4.29Å; M573-M577 HydrophobicContact CG-CG 4.4Å; M573-M577 WeakPolarHBondContact O-CG 3.42Å; M573-M577 PolarHBondContact O-N 3.33Å; M573-M577 HydrophobicContact SD-CE 3.81Å; M573-M577 HydrophobicContact SD-CG 3.89Å; M573-M577 HydrophobicContact SD-SD 4.28Å; K574-M577 PolarHBondContact O-N 2.9Å; M577-E579 VanDerWaalsContact C-N 3.27Å; M577-E579 PolarHBondContact O-N 2.69Å; M577-H580 PolarHBondContact O-N 3.27Å; M577-E581 WeakPolarHBondContact O-CB 3.49Å; M577-E581 PolarHBondContact O-N 3.44Å; M577-Y591 HydrophobicContact SD-CD1 4.31Å; M577-L594 HydrophobicContact CE-CD2 3.95Å; M577-L594 HydrophobicContact SD-CD2 4.43Å; M577-W622 HydrophobicContact CB-CB 3.95Å; M577-W622 HydrophobicContact CG-CB 4.02Å; M577-F623 HydrophobicContact CG-CE1 4.11Å; M577-F623 HydrophobicContact CG-CZ 4.19Å; M577-F623 HydrophobicContact SD-CD1 4.01Å; M577-F623 HydrophobicContact SD-CE1 3.49Å; M577-F623 WeakPolarHBondContact SD-CE1 3.27Å; M577-F623 HydrophobicContact SD-CZ 4.08Å; M577-F626 HydrophobicContact CB-CE2 4.2Å; M577-F626 WeakPolarHBondContact O-CZ 3.36Å; M577-F626 HydrophobicContact SD-CE2 4.03Å |
| 578 | E | 95.2 | Very high | 94.7 | Very high | 91 Ų | 91 | 63.7 Ų | 63.7 | 43% | 0.425 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60 | -36.8 | 172.1 | -71.4 | 172.9 | -176.1 | 0 | 0 | 112 | K574 Y575 | K574-E578 VanDerWaalsContact CE-OE1 3.32Å; K574-E578 WeakPolarHBondContact CE-OE1 3.08Å; K574-E578 WeakPolarHBondContact O-CG 3.31Å; K574-E578 PolarHBondContact O-N 3.25Å; Y575-E578 PolarHBondContact O-N 2.99Å |
| 579 | E | 94.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -76.6 | -37.5 | 177.4 | -165.9 | 57.9 | -155.5 | 0 | 0 | 112.7 | I520 Y575 A576 M577 E581 K582 N583 | I520-E579 HydrophobicContact CG2-CG 4.25Å; Y575-E579 PolarHBondContact O-N 3.44Å; Y575-E579 VanDerWaalsContact O-N 3.08Å; A576-E579 PolarHBondContact O-N 3.05Å; M577-E579 VanDerWaalsContact C-N 3.27Å; M577-E579 PolarHBondContact O-N 2.69Å; E579-E581 VanDerWaalsContact C-N 3.28Å; E579-E581 PolarHBondContact O-N 3.07Å; E579-K582 PolarHBondContact O-N 3.5Å; E579-K582 IonicContact OE2-NZ 2.65Å; E579-K582 PolarHBondContact OE2-NZ 3.31Å; E579-N583 PolarHBondContact O-N 3.31Å; E579-N583 PolarHBondContact O-ND2 2.99Å; E579-N583 PolarHBondContact OE1-ND2 3.43Å |
| 580 | H | 95.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.5 | -30 | 172.4 | -83.9 | -84.3 | 0 | 0 | 0 | 112.3 | S519 I520 L523 A576 M577 K582 N583 R584 Y591 F626 | S519-H580 PolarHBondContact O-CE1 3.48Å; S519-H580 VanDerWaalsContact O-CE1 3.27Å; S519-H580 PolarHBondContact O-NE2 3.06Å; I520-H580 PolarHBondContact O-CE1 3.42Å; I520-H580 PolarHBondContact O-ND1 3.02Å; L523-H580 VanDerWaalsContact CD2-CE1 3.48Å; L523-H580 WeakPolarHBondContact CD2-CE1 3.15Å; A576-H580 PolarHBondContact O-CD2 3.46Å; A576-H580 PolarHBondContact O-N 3.07Å; M577-H580 PolarHBondContact O-N 3.27Å; H580-K582 VanDerWaalsContact C-N 3.28Å; H580-K582 PolarHBondContact O-N 2.94Å; H580-N583 PolarHBondContact O-N 2.89Å; H580-R584 WeakPolarHBondContact O-CA 3.48Å; H580-R584 PolarHBondContact O-N 2.92Å; H580-Y591 HydrophobicContact CB-CE1 3.84Å; H580-Y591 AromaticContact CG-CE1 3.91Å; H580-Y591 AromaticContact ND1-CE1 3.89Å; H580-Y591 AromaticContact ND1-CZ 3.86Å; H580-Y591 PolarHBondContact ND1-OH 3.25Å; H580-F626 HydrophobicContact CB-CE1 4.07Å; H580-F626 HydrophobicContact CB-CZ 3.73Å |
| 581 | E | 93.3 | Very high | 94.4 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.2 | -35.3 | 179.6 | -175.4 | -179.3 | -175.3 | 0 | 0 | 111.7 | M577 E579 R584 P625 F626 | M577-E581 WeakPolarHBondContact O-CB 3.49Å; M577-E581 PolarHBondContact O-N 3.44Å; E579-E581 VanDerWaalsContact C-N 3.28Å; E579-E581 PolarHBondContact O-N 3.07Å; E581-R584 VanDerWaalsContact O-CG 3.25Å; E581-R584 WeakPolarHBondContact O-CG 3.37Å; E581-R584 PolarHBondContact O-NE 3.21Å; E581-P625 HydrophobicContact CG-CB 4.02Å; E581-P625 HydrophobicContact CG-CG 4.24Å; E581-P625 WeakPolarHBondContact OE1-CB 3.46Å; E581-P625 VanDerWaalsContact OE1-CG 3.31Å; E581-P625 WeakPolarHBondContact OE1-CG 3.4Å; E581-F626 HydrophobicContact CB-CZ 3.97Å |
| 582 | K | 93.2 | Very high | 94.4 | Very high | 152 Ų | 152 | 60 Ų | 60 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.1 | -36.2 | 177.3 | -61.9 | 171.9 | -160.2 | 157.5 | 0 | 112.6 | E579 H580 | E579-K582 PolarHBondContact O-N 3.5Å; E579-K582 IonicContact OE2-NZ 2.65Å; E579-K582 PolarHBondContact OE2-NZ 3.31Å; H580-K582 VanDerWaalsContact C-N 3.28Å; H580-K582 PolarHBondContact O-N 2.94Å |
| 583 | N | 91.9 | Very high | 94.3 | Very high | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -102.9 | -37.4 | -168.7 | -66.5 | -72 | 0 | 0 | 0 | 114 | E579 H580 L585 | E579-N583 PolarHBondContact O-N 3.31Å; E579-N583 PolarHBondContact O-ND2 2.99Å; E579-N583 PolarHBondContact OE1-ND2 3.43Å; H580-N583 PolarHBondContact O-N 2.89Å; N583-L585 HydrophobicContact CB-CD1 4.22Å; N583-L585 HydrophobicContact CB-CG 4.12Å; N583-L585 PolarHBondContact O-N 3.42Å |
| 584 | R | 91.4 | Very high | 94.3 | Very high | 113 Ų | 113 | 62.1 Ų | 62.1 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | trans | 46.8 | 49.6 | 177.3 | -54.3 | -175.3 | -178.2 | -155.2 | -2.9 | 115 | H580 E581 M629 | H580-R584 WeakPolarHBondContact O-CA 3.48Å; H580-R584 PolarHBondContact O-N 2.92Å; E581-R584 VanDerWaalsContact O-CG 3.25Å; E581-R584 WeakPolarHBondContact O-CG 3.37Å; E581-R584 PolarHBondContact O-NE 3.21Å; R584-M629 HydrophobicContact CB-SD 4.42Å; R584-M629 HydrophobicContact CG-SD 4.49Å | ||
| 585 | L | 91.3 | Very high | 94.3 | Very high | 98 Ų | 98 | 58.2 Ų | 58.2 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | trans | -88.5 | -14.2 | -175 | -61.4 | 170.6 | 0 | 0 | 0 | 114.4 | I520 K521 N583 | I520-L585 HydrophobicContact CB-CD1 4.46Å; I520-L585 HydrophobicContact CD1-CD1 3.85Å; I520-L585 HydrophobicContact CG1-CD1 4.01Å; K521-L585 HydrophobicContact CG-CD1 4.36Å; N583-L585 HydrophobicContact CB-CD1 4.22Å; N583-L585 HydrophobicContact CB-CG 4.12Å; N583-L585 PolarHBondContact O-N 3.42Å | ||
| 586 | C | 92.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 10% | 0.095 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -97.8 | 164.3 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | K521 L523 Y591 | K521-C586 PolarHBondContact O-SG 2.98Å; K521-C586 VanDerWaalsContact O-SG 3.33Å; L523-C586 HydrophobicContact CG-CB 4.47Å; C586-Y591 HydrophobicContact CB-CD2 4.48Å; C586-Y591 HydrophobicContact CB-CE2 3.68Å |
| 587 | K | 93.2 | Very high | 94.4 | Very high | 154 Ų | 154 | 57.1 Ų | 57.1 | 67% | 0.67 | 28% | 0.275 | S | S | * | . | trans | -72.1 | 144.6 | 177.6 | -60.3 | 175.6 | -178.5 | 174.1 | 0 | 110.1 | A589 D590 Y591 | K587-A589 PolarHBondContact O-N 3.48Å; K587-A589 VanDerWaalsContact O-N 3.17Å; K587-D590 WeakPolarHBondContact CB-OD2 3.38Å; K587-D590 PolarHBondContact N-OD2 3.43Å; K587-D590 WeakPolarHBondContact O-CB 3.24Å; K587-D590 PolarHBondContact O-N 2.95Å; K587-Y591 VanDerWaalsContact O-CD2 3.3Å; K587-Y591 WeakPolarHBondContact O-CD2 3.37Å; K587-Y591 PolarHBondContact O-N 3.36Å | ||
| 588 | S | 94.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -49.7 | -40.2 | 172.9 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | D590 Y591 M592 E633 | S588-D590 VanDerWaalsContact C-N 3.3Å; S588-D590 PolarHBondContact O-N 3.4Å; S588-Y591 PolarHBondContact O-N 3.27Å; S588-M592 WeakPolarHBondContact O-CG 3.37Å; S588-M592 PolarHBondContact O-N 3.32Å; S588-E633 VanDerWaalsContact CB-OE2 3.28Å; S588-E633 WeakPolarHBondContact CB-OE2 3.48Å; S588-E633 PolarHBondContact OG-OE2 2.89Å |
| 589 | A | 93.5 | Very high | 94.5 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -34.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K587 M592 N593 | K587-A589 PolarHBondContact O-N 3.48Å; K587-A589 VanDerWaalsContact O-N 3.17Å; A589-M592 PolarHBondContact O-N 3.16Å; A589-N593 VanDerWaalsContact O-CG 3.24Å; A589-N593 PolarHBondContact O-N 3.08Å; A589-N593 PolarHBondContact O-ND2 3.38Å; A589-N593 VanDerWaalsContact O-ND2 3.17Å |
| 590 | D | 94.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.1 | -41.2 | 179.2 | -57.5 | -34.2 | 0 | 0 | 0 | 110.2 | L523 K587 S588 N593 L594 | L523-D590 HydrophobicContact CD1-CB 3.84Å; K587-D590 WeakPolarHBondContact CB-OD2 3.38Å; K587-D590 PolarHBondContact N-OD2 3.43Å; K587-D590 WeakPolarHBondContact O-CB 3.24Å; K587-D590 PolarHBondContact O-N 2.95Å; S588-D590 VanDerWaalsContact C-N 3.3Å; S588-D590 PolarHBondContact O-N 3.4Å; D590-N593 PolarHBondContact O-N 2.99Å; D590-L594 PolarHBondContact O-N 3.4Å |
| 591 | Y | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 173.4 | -65 | -71.9 | 0 | 0 | 0 | 112.1 | L523 M577 H580 C586 K587 S588 L594 H595 F626 M629 | L523-Y591 HydrophobicContact CD1-CD1 3.55Å; L523-Y591 HydrophobicContact CD1-CE1 3.8Å; L523-Y591 HydrophobicContact CD1-CG 3.99Å; L523-Y591 HydrophobicContact CD2-CD1 4.45Å; L523-Y591 HydrophobicContact CD2-CE1 4.04Å; L523-Y591 HydrophobicContact CG-CE1 4.43Å; M577-Y591 HydrophobicContact SD-CD1 4.31Å; H580-Y591 HydrophobicContact CB-CE1 3.84Å; H580-Y591 AromaticContact CG-CE1 3.91Å; H580-Y591 AromaticContact ND1-CE1 3.89Å; H580-Y591 AromaticContact ND1-CZ 3.86Å; H580-Y591 PolarHBondContact ND1-OH 3.25Å; C586-Y591 HydrophobicContact CB-CD2 4.48Å; C586-Y591 HydrophobicContact CB-CE2 3.68Å; K587-Y591 VanDerWaalsContact O-CD2 3.3Å; K587-Y591 WeakPolarHBondContact O-CD2 3.37Å; K587-Y591 PolarHBondContact O-N 3.36Å; S588-Y591 PolarHBondContact O-N 3.27Å; Y591-L594 PolarHBondContact O-N 3.44Å; Y591-H595 WeakPolarHBondContact O-CB 3.13Å; Y591-H595 PolarHBondContact O-N 2.86Å; Y591-F626 HydrophobicContact CD1-CB 4.47Å; Y591-F626 AromaticContact CD1-CD1 3.76Å; Y591-F626 HydrophobicContact CD1-CD1 3.76Å; Y591-F626 HydrophobicContact CD1-CD2 4.3Å; Y591-F626 AromaticContact CD1-CE1 3.99Å; Y591-F626 HydrophobicContact CD1-CE1 3.99Å; Y591-F626 HydrophobicContact CD1-CE2 4.5Å; Y591-F626 AromaticContact CD1-CG 3.91Å; Y591-F626 HydrophobicContact CD1-CG 3.91Å; Y591-F626 HydrophobicContact CD1-CZ 4.34Å; Y591-F626 HydrophobicContact CD2-CB 4.32Å; Y591-F626 AromaticContact CD2-CD1 3.72Å; Y591-F626 HydrophobicContact CD2-CD1 3.72Å; Y591-F626 HydrophobicContact CD2-CE1 4.39Å; Y591-F626 HydrophobicContact CD2-CG 4.24Å; Y591-F626 AromaticContact CE1-CD1 3.83Å; Y591-F626 HydrophobicContact CE1-CD1 3.83Å; Y591-F626 AromaticContact CE1-CE1 3.62Å; Y591-F626 HydrophobicContact CE1-CE1 3.62Å; Y591-F626 HydrophobicContact CE1-CG 4.39Å; Y591-F626 HydrophobicContact CE1-CZ 4.02Å; Y591-F626 AromaticContact CE2-CD1 3.77Å; Y591-F626 HydrophobicContact CE2-CD1 3.77Å; Y591-F626 HydrophobicContact CE2-CE1 4.04Å; Y591-F626 HydrophobicContact CG-CB 3.95Å; Y591-F626 AromaticContact CG-CD1 3.72Å; Y591-F626 HydrophobicContact CG-CD1 3.72Å; Y591-F626 HydrophobicContact CG-CE1 4.37Å; Y591-F626 AromaticContact CG-CG 3.84Å; Y591-F626 HydrophobicContact CG-CG 3.84Å; Y591-F626 AromaticContact CZ-CD1 3.82Å; Y591-F626 AromaticContact CZ-CE1 3.64Å; Y591-M629 HydrophobicContact CD2-CE 4.07Å; Y591-M629 HydrophobicContact CE2-CE 4.16Å |
| 592 | M | 95.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.1 | -69.8 | -67.7 | -74.1 | 0 | 0 | 111.1 | S588 A589 L594 H595 F596 V627 W630 I680 L684 | S588-M592 WeakPolarHBondContact O-CG 3.37Å; S588-M592 PolarHBondContact O-N 3.32Å; A589-M592 PolarHBondContact O-N 3.16Å; M592-L594 VanDerWaalsContact C-N 3.33Å; M592-L594 PolarHBondContact O-N 2.91Å; M592-H595 WeakPolarHBondContact O-CB 3.49Å; M592-H595 PolarHBondContact O-N 3.13Å; M592-F596 HydrophobicContact CE-CE2 4.45Å; M592-F596 WeakPolarHBondContact O-CD2 3.32Å; M592-F596 PolarHBondContact O-N 3.34Å; M592-V627 HydrophobicContact SD-CB 4.39Å; M592-V627 HydrophobicContact SD-CG1 4.46Å; M592-V627 HydrophobicContact SD-CG2 3.81Å; M592-W630 HydrophobicContact CE-CD2 4.19Å; M592-W630 HydrophobicContact CE-CE3 4.26Å; M592-W630 HydrophobicContact CG-CB 4.17Å; M592-W630 HydrophobicContact CG-CD2 4.44Å; M592-W630 HydrophobicContact CG-CG 3.87Å; M592-W630 HydrophobicContact SD-CB 4.27Å; M592-W630 HydrophobicContact SD-CD2 4.47Å; M592-W630 HydrophobicContact SD-CG 4.22Å; M592-I680 HydrophobicContact CE-CG2 3.48Å; M592-I680 VanDerWaalsContact CE-CG2 3.48Å; M592-L684 HydrophobicContact CE-CD1 4.07Å; M592-L684 HydrophobicContact CE-CD2 4.17Å; M592-L684 HydrophobicContact CE-CG 4.39Å |
| 593 | N | 95.1 | Very high | 94.8 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.9 | -71.9 | -30.3 | 0 | 0 | 0 | 112.2 | A589 D590 F596 K597 | A589-N593 VanDerWaalsContact O-CG 3.24Å; A589-N593 PolarHBondContact O-N 3.08Å; A589-N593 PolarHBondContact O-ND2 3.38Å; A589-N593 VanDerWaalsContact O-ND2 3.17Å; D590-N593 PolarHBondContact O-N 2.99Å; N593-F596 PolarHBondContact O-N 3.28Å; N593-K597 PolarHBondContact O-N 3.44Å; N593-K597 VanDerWaalsContact O-N 3.08Å |
| 594 | L | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 175.6 | -175.7 | 59.5 | 0 | 0 | 0 | 111.4 | L523 W526 I530 M573 M577 D590 Y591 M592 F596 K597 V598 F623 | L523-L594 HydrophobicContact CB-CD2 4.39Å; L523-L594 HydrophobicContact CD1-CB 4.4Å; L523-L594 HydrophobicContact CD1-CD2 4.15Å; L523-L594 HydrophobicContact CD2-CD2 4.17Å; L523-L594 HydrophobicContact CG-CD2 4.48Å; W526-L594 HydrophobicContact CB-CD1 3.73Å; W526-L594 HydrophobicContact CB-CD2 4.15Å; W526-L594 HydrophobicContact CG-CD2 4.36Å; I530-L594 HydrophobicContact CD1-CD1 4.03Å; M573-L594 HydrophobicContact CE-CD1 4.15Å; M573-L594 HydrophobicContact CE-CD2 4.07Å; M573-L594 HydrophobicContact CE-CG 4.38Å; M573-L594 HydrophobicContact SD-CD2 4.13Å; M577-L594 HydrophobicContact CE-CD2 3.95Å; M577-L594 HydrophobicContact SD-CD2 4.43Å; D590-L594 PolarHBondContact O-N 3.4Å; Y591-L594 PolarHBondContact O-N 3.44Å; M592-L594 VanDerWaalsContact C-N 3.33Å; M592-L594 PolarHBondContact O-N 2.91Å; L594-F596 VanDerWaalsContact C-N 3.35Å; L594-F596 PolarHBondContact O-N 2.86Å; L594-K597 PolarHBondContact O-N 2.85Å; L594-K597 VanDerWaalsContact O-N 3.13Å; L594-V598 HydrophobicContact CD1-CG2 4.38Å; L594-V598 HydrophobicContact CG-CG2 4.5Å; L594-V598 WeakPolarHBondContact O-CG2 3.16Å; L594-V598 PolarHBondContact O-N 3.24Å; L594-F623 HydrophobicContact CB-CE1 4.28Å; L594-F623 HydrophobicContact CD2-CE1 4.1Å; L594-F623 HydrophobicContact CD2-CZ 4.33Å; L594-F623 HydrophobicContact CG-CE1 4.01Å; L594-F623 HydrophobicContact CG-CZ 4.07Å |
| 595 | H | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 173.9 | -171 | 168.9 | 0 | 0 | 0 | 110.7 | Y591 M592 K597 V598 K599 Y619 F623 | Y591-H595 WeakPolarHBondContact O-CB 3.13Å; Y591-H595 PolarHBondContact O-N 2.86Å; M592-H595 WeakPolarHBondContact O-CB 3.49Å; M592-H595 PolarHBondContact O-N 3.13Å; H595-K597 VanDerWaalsContact C-N 3.3Å; H595-K597 PolarHBondContact O-N 3.44Å; H595-V598 PolarHBondContact O-N 2.97Å; H595-K599 VanDerWaalsContact O-CB 3.27Å; H595-K599 WeakPolarHBondContact O-CB 3.43Å; H595-K599 PolarHBondContact O-N 3.46Å; H595-Y619 AromaticContact CD2-CE2 3.95Å; H595-Y619 AromaticContact NE2-CE2 3.74Å; H595-F623 HydrophobicContact CB-CB 4.14Å; H595-F623 HydrophobicContact CB-CD1 3.79Å; H595-F623 HydrophobicContact CB-CD2 4.12Å; H595-F623 HydrophobicContact CB-CE1 4.22Å; H595-F623 HydrophobicContact CB-CG 3.74Å; H595-F623 AromaticContact CD2-CD2 3.96Å; H595-F623 AromaticContact CG-CD2 3.87Å; H595-F623 AromaticContact CG-CG 3.67Å; H595-F623 VanDerWaalsContact ND1-CB 3.27Å; H595-F623 WeakPolarHBondContact ND1-CB 3.17Å; H595-F623 AromaticContact ND1-CG 3.81Å |
| 596 | F | 96.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 26% | 0.263 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57 | -41.3 | 175.6 | -82 | -68.7 | 0 | 0 | 0 | 113 | M592 N593 L594 W600 K683 L684 | M592-F596 HydrophobicContact CE-CE2 4.45Å; M592-F596 WeakPolarHBondContact O-CD2 3.32Å; M592-F596 PolarHBondContact O-N 3.34Å; N593-F596 PolarHBondContact O-N 3.28Å; L594-F596 VanDerWaalsContact C-N 3.35Å; L594-F596 PolarHBondContact O-N 2.86Å; F596-W600 WeakPolarHBondContact O-CB 3.41Å; F596-W600 PolarHBondContact O-N 3.04Å; F596-K683 HydrophobicContact CE1-CB 3.8Å; F596-K683 WeakPolarHBondContact CE1-O 3.25Å; F596-K683 HydrophobicContact CZ-CB 4.03Å; F596-L684 HydrophobicContact CD1-CD2 4.24Å; F596-L684 HydrophobicContact CD2-CD2 4.17Å; F596-L684 HydrophobicContact CE1-CD2 3.86Å; F596-L684 HydrophobicContact CE1-CG 4.44Å; F596-L684 HydrophobicContact CE2-CD2 3.76Å; F596-L684 HydrophobicContact CG-CD2 4.38Å; F596-L684 HydrophobicContact CZ-CD2 3.58Å; F596-L684 HydrophobicContact CZ-CG 4.11Å |
| 597 | K | 96.2 | Very high | 95.2 | Very high | 84 Ų | 84 | 46.7 Ų | 46.7 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.8 | -43.4 | 177.1 | -76.3 | -172.8 | 176.8 | -175.7 | 0 | 112.8 | S527 I530 N593 L594 H595 W600 L601 | S527-K597 VanDerWaalsContact CB-NZ 3.27Å; S527-K597 PolarHBondContact OG-NZ 2.94Å; I530-K597 HydrophobicContact CD1-CB 3.95Å; N593-K597 PolarHBondContact O-N 3.44Å; N593-K597 VanDerWaalsContact O-N 3.08Å; L594-K597 PolarHBondContact O-N 2.85Å; L594-K597 VanDerWaalsContact O-N 3.13Å; H595-K597 VanDerWaalsContact C-N 3.3Å; H595-K597 PolarHBondContact O-N 3.44Å; K597-W600 PolarHBondContact O-N 3.45Å; K597-L601 PolarHBondContact O-N 2.89Å |
| 598 | V | 97 | Very high | 95 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | I530 W566 F569 M573 L594 H595 W600 L601 Y602 Y619 W622 F623 | I530-V598 HydrophobicContact CD1-CG2 4Å; W566-V598 HydrophobicContact CH2-CG1 3.84Å; W566-V598 HydrophobicContact CZ3-CG1 4.06Å; F569-V598 HydrophobicContact CE1-CG1 4.33Å; F569-V598 HydrophobicContact CE1-CG2 4.06Å; F569-V598 HydrophobicContact CZ-CG2 3.93Å; M573-V598 HydrophobicContact CE-CG2 4.31Å; L594-V598 HydrophobicContact CD1-CG2 4.38Å; L594-V598 HydrophobicContact CG-CG2 4.5Å; L594-V598 WeakPolarHBondContact O-CG2 3.16Å; L594-V598 PolarHBondContact O-N 3.24Å; H595-V598 PolarHBondContact O-N 2.97Å; V598-W600 VanDerWaalsContact C-N 3.34Å; V598-W600 PolarHBondContact O-N 3.33Å; V598-L601 PolarHBondContact O-N 3.48Å; V598-Y602 WeakPolarHBondContact O-CB 3.34Å; V598-Y602 PolarHBondContact O-N 3.49Å; V598-Y619 HydrophobicContact CG1-CD2 3.92Å; V598-Y619 HydrophobicContact CG1-CG 4Å; V598-W622 HydrophobicContact CG1-CZ3 4.48Å; V598-F623 HydrophobicContact CB-CE2 4.15Å; V598-F623 HydrophobicContact CB-CZ 4.43Å; V598-F623 HydrophobicContact CG1-CE2 4.21Å; V598-F623 HydrophobicContact CG2-CE2 4.12Å; V598-F623 HydrophobicContact CG2-CZ 3.97Å |
| 599 | K | 95.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.4 | -48.4 | 173.1 | 177.7 | -138.4 | 174.8 | -179.9 | 0 | 111.3 | H595 Y602 N603 Y619 K683 L684 E685 | H595-K599 VanDerWaalsContact O-CB 3.27Å; H595-K599 WeakPolarHBondContact O-CB 3.43Å; H595-K599 PolarHBondContact O-N 3.46Å; K599-Y602 PolarHBondContact O-N 3.41Å; K599-N603 WeakPolarHBondContact O-CB 3.45Å; K599-N603 PolarHBondContact O-N 2.91Å; K599-Y619 HydrophobicContact CB-CE2 4.01Å; K599-Y619 WeakPolarHBondContact CG-OH 3.25Å; K599-K683 PolarHBondContact NZ-O 3.35Å; K599-L684 WeakPolarHBondContact CD-O 3.48Å; K599-L684 WeakPolarHBondContact CE-O 3.45Å; K599-E685 VanDerWaalsContact CE-OE2 3.25Å; K599-E685 WeakPolarHBondContact CE-OE2 3.31Å; K599-E685 IonicContact NZ-OE1 3.06Å; K599-E685 IonicContact NZ-OE2 2.76Å; K599-E685 PolarHBondContact NZ-OE2 3.19Å |
| 600 | W | 96.6 | Very high | 94.6 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.6 | -48.5 | 178.1 | 173.2 | 79.6 | 0 | 0 | 0 | 111.8 | V534 F596 K597 V598 Y602 N603 E604 Y605 | V534-W600 HydrophobicContact CG1-CH2 4.37Å; V534-W600 HydrophobicContact CG2-CH2 3.93Å; V534-W600 HydrophobicContact CG2-CZ3 3.7Å; F596-W600 WeakPolarHBondContact O-CB 3.41Å; F596-W600 PolarHBondContact O-N 3.04Å; K597-W600 PolarHBondContact O-N 3.45Å; V598-W600 VanDerWaalsContact C-N 3.34Å; V598-W600 PolarHBondContact O-N 3.33Å; W600-Y602 VanDerWaalsContact C-N 3.31Å; W600-Y602 PolarHBondContact O-N 3.49Å; W600-N603 PolarHBondContact O-N 3.33Å; W600-E604 HydrophobicContact CZ2-CG 4.23Å; W600-E604 VanDerWaalsContact O-CB 3.27Å; W600-E604 WeakPolarHBondContact O-CB 3.48Å; W600-E604 PolarHBondContact O-N 2.96Å; W600-Y605 HydrophobicContact CH2-CE2 4.09Å; W600-Y605 HydrophobicContact CZ3-CE2 4.49Å |
| 601 | L | 96.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 177.6 | 178.4 | 70.5 | 0 | 0 | 0 | 111.6 | I530 I533 V534 W566 F569 K597 V598 Y605 | I530-L601 HydrophobicContact CG1-CD2 4.33Å; I530-L601 HydrophobicContact CG2-CB 4.39Å; I530-L601 HydrophobicContact CG2-CD1 4.45Å; I530-L601 HydrophobicContact CG2-CD2 4.26Å; I533-L601 HydrophobicContact CG2-CD1 4.35Å; V534-L601 HydrophobicContact CG2-CD1 3.67Å; W566-L601 HydrophobicContact CE3-CD2 4.2Å; W566-L601 HydrophobicContact CE3-CG 4.47Å; W566-L601 HydrophobicContact CZ3-CD2 4.27Å; F569-L601 HydrophobicContact CD1-CD2 4.11Å; F569-L601 HydrophobicContact CE1-CD2 4.02Å; K597-L601 PolarHBondContact O-N 2.89Å; V598-L601 PolarHBondContact O-N 3.48Å; L601-Y605 HydrophobicContact CD1-CD2 3.87Å; L601-Y605 HydrophobicContact CD1-CE2 4.31Å; L601-Y605 PolarHBondContact O-N 3.39Å; L601-Y605 VanDerWaalsContact O-N 3.17Å |
| 602 | Y | 95.5 | Very high | 93.9 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -64.7 | -48.5 | 179.1 | -174.3 | -95.7 | 0 | 0 | 0 | 112.2 | W566 V598 K599 W600 E604 C606 K607 F612 P617 Y619 | W566-Y602 AromaticContact CD2-CD2 3.88Å; W566-Y602 HydrophobicContact CD2-CD2 3.88Å; W566-Y602 HydrophobicContact CD2-CE2 4.46Å; W566-Y602 AromaticContact CE2-CD2 3.43Å; W566-Y602 VanDerWaalsContact CE2-CD2 3.43Å; W566-Y602 AromaticContact CE2-CE2 3.78Å; W566-Y602 HydrophobicContact CE3-CD2 4.09Å; W566-Y602 AromaticContact CH2-CD2 3.52Å; W566-Y602 HydrophobicContact CH2-CD2 3.52Å; W566-Y602 HydrophobicContact CH2-CE2 4.47Å; W566-Y602 HydrophobicContact CH2-CG 4.06Å; W566-Y602 AromaticContact CZ2-CD2 3.27Å; W566-Y602 HydrophobicContact CZ2-CD2 3.27Å; W566-Y602 AromaticContact CZ2-CE2 3.8Å; W566-Y602 HydrophobicContact CZ2-CE2 3.8Å; W566-Y602 HydrophobicContact CZ2-CG 4.2Å; W566-Y602 AromaticContact CZ3-CD2 3.92Å; W566-Y602 HydrophobicContact CZ3-CD2 3.92Å; W566-Y602 HydrophobicContact CZ3-CG 4.38Å; W566-Y602 AromaticContact NE1-CE2 3.89Å; V598-Y602 WeakPolarHBondContact O-CB 3.34Å; V598-Y602 PolarHBondContact O-N 3.49Å; K599-Y602 PolarHBondContact O-N 3.41Å; W600-Y602 VanDerWaalsContact C-N 3.31Å; W600-Y602 PolarHBondContact O-N 3.49Å; Y602-E604 VanDerWaalsContact C-N 3.35Å; Y602-E604 PolarHBondContact O-N 3.25Å; Y602-C606 HydrophobicContact CD2-CB 3.57Å; Y602-C606 HydrophobicContact CE2-CB 3.74Å; Y602-C606 HydrophobicContact CG-CB 4.15Å; Y602-C606 CarbonylContact O-C 3.6Å; Y602-C606 WeakPolarHBondContact O-CA 3.34Å; Y602-C606 VanDerWaalsContact O-CB 3.3Å; Y602-C606 WeakPolarHBondContact O-CB 3.26Å; Y602-C606 PolarHBondContact O-N 2.98Å; Y602-K607 HydrophobicContact CD1-CB 4.49Å; Y602-K607 HydrophobicContact CE1-CB 4.31Å; Y602-K607 PolarHBondContact O-N 3.11Å; Y602-F612 WeakPolarHBondContact OH-CB 3.31Å; Y602-P617 HydrophobicContact CD1-CB 4.35Å; Y602-P617 HydrophobicContact CD1-CG 4.25Å; Y602-P617 HydrophobicContact CE1-CB 3.71Å; Y602-P617 HydrophobicContact CE1-CG 3.37Å; Y602-P617 HydrophobicContact CE2-CB 4.29Å; Y602-P617 WeakPolarHBondContact OH-CG 3.48Å; Y602-Y619 HydrophobicContact CD1-CD1 4.27Å; Y602-Y619 AromaticContact CD1-CE1 3.71Å; Y602-Y619 HydrophobicContact CD1-CE1 3.71Å; Y602-Y619 HydrophobicContact CD2-CD1 4.24Å; Y602-Y619 HydrophobicContact CD2-CE1 4.48Å; Y602-Y619 HydrophobicContact CE1-CE1 4.34Å; Y602-Y619 AromaticContact CG-CD1 3.95Å; Y602-Y619 HydrophobicContact CG-CD1 3.95Å; Y602-Y619 AromaticContact CG-CE1 3.77Å; Y602-Y619 HydrophobicContact CG-CE1 3.77Å |
| 603 | N | 94.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -66.3 | -36.7 | -177.4 | -76.6 | -14.6 | 0 | 0 | 0 | 112.7 | K599 W600 | K599-N603 WeakPolarHBondContact O-CB 3.45Å; K599-N603 PolarHBondContact O-N 2.91Å; W600-N603 PolarHBondContact O-N 3.33Å |
| 604 | E | 95.4 | Very high | 92.5 | Very high | 113 Ų | 113 | 59 Ų | 59 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -74.4 | -42.3 | -177.9 | -169 | 66.5 | -155.3 | 0 | 0 | 112.2 | W600 Y602 | W600-E604 HydrophobicContact CZ2-CG 4.23Å; W600-E604 VanDerWaalsContact O-CB 3.27Å; W600-E604 WeakPolarHBondContact O-CB 3.48Å; W600-E604 PolarHBondContact O-N 2.96Å; Y602-E604 VanDerWaalsContact C-N 3.35Å; Y602-E604 PolarHBondContact O-N 3.25Å |
| 605 | Y | 95.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 13% | 0.125 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -112.7 | -26.4 | -169.8 | -63 | -79 | 0 | 0 | 0 | 115.2 | V534 I537 E538 W600 L601 | V534-Y605 HydrophobicContact CG1-CE2 4.34Å; V534-Y605 WeakPolarHBondContact CG1-OH 3.46Å; V534-Y605 HydrophobicContact CG2-CE2 3.96Å; I537-Y605 HydrophobicContact CB-CD1 4.35Å; I537-Y605 HydrophobicContact CB-CE1 4.43Å; I537-Y605 HydrophobicContact CD1-CG 4.31Å; I537-Y605 HydrophobicContact CG2-CD1 3.44Å; I537-Y605 VanDerWaalsContact CG2-CD1 3.44Å; I537-Y605 HydrophobicContact CG2-CE1 3.77Å; I537-Y605 HydrophobicContact CG2-CG 4.23Å; E538-Y605 HydrophobicContact CG-CE1 4.28Å; E538-Y605 WeakPolarHBondContact OE1-CE1 3.43Å; W600-Y605 HydrophobicContact CH2-CE2 4.09Å; W600-Y605 HydrophobicContact CZ3-CE2 4.49Å; L601-Y605 HydrophobicContact CD1-CD2 3.87Å; L601-Y605 HydrophobicContact CD1-CE2 4.31Å; L601-Y605 PolarHBondContact O-N 3.39Å; L601-Y605 VanDerWaalsContact O-N 3.17Å |
| 606 | C | 93.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -109.4 | -36.7 | -167.7 | -55.6 | 0 | 0 | 0 | 0 | 113.7 | W566 Y602 E608 L609 F612 | W566-C606 WeakPolarHBondContact CB-SG 3.42Å; W566-C606 HydrophobicContact CG-CB 4.48Å; W566-C606 VanDerWaalsContact CG-SG 3.55Å; Y602-C606 HydrophobicContact CD2-CB 3.57Å; Y602-C606 HydrophobicContact CE2-CB 3.74Å; Y602-C606 HydrophobicContact CG-CB 4.15Å; Y602-C606 CarbonylContact O-C 3.6Å; Y602-C606 WeakPolarHBondContact O-CA 3.34Å; Y602-C606 VanDerWaalsContact O-CB 3.3Å; Y602-C606 WeakPolarHBondContact O-CB 3.26Å; Y602-C606 PolarHBondContact O-N 2.98Å; C606-E608 VanDerWaalsContact C-N 3.26Å; C606-E608 PolarHBondContact O-N 3.07Å; C606-E608 VanDerWaalsContact O-N 3.15Å; C606-L609 VanDerWaalsContact O-CB 3.31Å; C606-L609 WeakPolarHBondContact O-CB 3.41Å; C606-L609 WeakPolarHBondContact O-CG 3.27Å; C606-L609 PolarHBondContact O-N 3.14Å; C606-F612 HydrophobicContact CB-CD2 3.99Å; C606-F612 HydrophobicContact CB-CE2 4.25Å; C606-F612 WeakPolarHBondContact O-CD2 3.31Å |
| 607 | K | 91.1 | Very high | 91 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -37.9 | -172.5 | 179.9 | 179.1 | 177.7 | -179.5 | 0 | 114.1 | Y602 L609 Q613 | Y602-K607 HydrophobicContact CD1-CB 4.49Å; Y602-K607 HydrophobicContact CE1-CB 4.31Å; Y602-K607 PolarHBondContact O-N 3.11Å; K607-L609 VanDerWaalsContact C-N 3.33Å; K607-Q613 WeakPolarHBondContact O-CG 3.28Å |
| 608 | E | 89.6 | Confident | 90.8 | Very high | 134 Ų | 134 | 69.6 Ų | 69.6 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.3 | -178.8 | -63.8 | -58.6 | 149.8 | 0 | 0 | 113.9 | C606 Q613 | C606-E608 VanDerWaalsContact C-N 3.26Å; C606-E608 PolarHBondContact O-N 3.07Å; C606-E608 VanDerWaalsContact O-N 3.15Å; E608-Q613 PolarHBondContact O-NE2 3.42Å; E608-Q613 PolarHBondContact OE2-NE2 3.49Å |
| 609 | L | 91.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 69.6 Ų | 69.6 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -77.6 | 138.7 | 179.2 | -59.9 | 176.8 | 0 | 0 | 0 | 110.8 | K559 A562 E563 C606 K607 T611 F612 Q613 | K559-L609 HydrophobicContact CB-CD2 3.9Å; K559-L609 HydrophobicContact CD-CD2 4.35Å; K559-L609 HydrophobicContact CG-CD2 3.9Å; A562-L609 HydrophobicContact CB-CD1 4Å; E563-L609 HydrophobicContact CB-CD1 4.1Å; C606-L609 VanDerWaalsContact O-CB 3.31Å; C606-L609 WeakPolarHBondContact O-CB 3.41Å; C606-L609 WeakPolarHBondContact O-CG 3.27Å; C606-L609 PolarHBondContact O-N 3.14Å; K607-L609 VanDerWaalsContact C-N 3.33Å; L609-T611 PolarHBondContact O-N 3.39Å; L609-T611 VanDerWaalsContact O-N 3.1Å; L609-F612 HydrophobicContact CB-CD2 3.96Å; L609-F612 HydrophobicContact CD1-CD2 4.04Å; L609-F612 HydrophobicContact CD1-CE2 4.01Å; L609-F612 PolarHBondContact O-N 2.89Å; L609-Q613 PolarHBondContact O-N 2.92Å; L609-Q613 VanDerWaalsContact O-N 3.1Å |
| 610 | P | 88.1 | Confident | 90.7 | Very high | 92 Ų | 92 | 68.5 Ų | 68.5 | 60% | 0.597 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32.2 | -177.6 | -27.1 | 34.4 | 0 | 0 | 0 | 114.7 | F612 | P610-F612 VanDerWaalsContact C-N 3.27Å; P610-F612 PolarHBondContact O-N 3.3Å |
| 611 | T | 86.8 | Confident | 90.7 | Very high | 67 Ų | 67 | 65.2 Ų | 65.2 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -33 | 178.1 | -47.5 | 0 | 0 | 0 | 0 | 111.9 | E563 L609 | E563-T611 PolarHBondContact OE1-OG1 3.24Å; L609-T611 PolarHBondContact O-N 3.39Å; L609-T611 VanDerWaalsContact O-N 3.1Å |
| 612 | F | 88.4 | Confident | 90.7 | Very high | 27 Ų | 27 | 66.2 Ų | 66.2 | 12% | 0.118 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -21.6 | -171.6 | -61.9 | -54.7 | 0 | 0 | 0 | 114.2 | E563 W566 N567 Y602 C606 L609 P610 K614 H615 | E563-F612 HydrophobicContact CG-CE2 4.41Å; W566-F612 AromaticContact CD1-CZ 3.54Å; N567-F612 WeakPolarHBondContact OD1-CZ 3.42Å; Y602-F612 WeakPolarHBondContact OH-CB 3.31Å; C606-F612 HydrophobicContact CB-CD2 3.99Å; C606-F612 HydrophobicContact CB-CE2 4.25Å; C606-F612 WeakPolarHBondContact O-CD2 3.31Å; L609-F612 HydrophobicContact CB-CD2 3.96Å; L609-F612 HydrophobicContact CD1-CD2 4.04Å; L609-F612 HydrophobicContact CD1-CE2 4.01Å; L609-F612 PolarHBondContact O-N 2.89Å; P610-F612 VanDerWaalsContact C-N 3.27Å; P610-F612 PolarHBondContact O-N 3.3Å; F612-K614 PolarHBondContact O-N 2.61Å; F612-H615 PolarHBondContact O-N 3.29Å |
| 613 | Q | 84.2 | Confident | 90.8 | Very high | 119 Ų | 119 | 65.8 Ų | 65.8 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -22.6 | -179.1 | -79.9 | -178.1 | -14.7 | 0 | 0 | 115.2 | K607 E608 L609 | K607-Q613 WeakPolarHBondContact O-CG 3.28Å; E608-Q613 PolarHBondContact O-NE2 3.42Å; E608-Q613 PolarHBondContact OE2-NE2 3.49Å; L609-Q613 PolarHBondContact O-N 2.92Å; L609-Q613 VanDerWaalsContact O-N 3.1Å |
| 614 | K | 77.3 | Confident | 90.8 | Very high | 186 Ų | 186 | 65.7 Ų | 65.7 | 81% | 0.809 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -7.8 | -176.7 | -66.6 | -175.7 | -179.5 | 178.5 | 0 | 114.4 | F612 | F612-K614 PolarHBondContact O-N 2.61Š|
| 615 | H | 80.3 | Confident | 90.9 | Very high | 136 Ų | 136 | 61.6 Ų | 61.6 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -122.1 | 143.7 | -171.4 | -64.5 | -57.1 | 0 | 0 | 0 | 110.8 | F612 | F612-H615 PolarHBondContact O-N 3.29Š|
| 616 | V | 86.8 | Confident | 90.9 | Very high | 83 Ų | 83 | 60.2 Ų | 60.2 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | trans | -67.4 | 130.3 | 170.1 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | E618 D688 | V616-E618 PolarHBondContact O-N 3.03Å; V616-D688 HydrophobicContact CG1-CB 3.77Å | ||
| 617 | P | 91 | Very high | 91 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | trans | -62.1 | 135.6 | -179.3 | -22.4 | 34.3 | 0 | 0 | 0 | 111.5 | Y602 Y619 P620 P687 | Y602-P617 HydrophobicContact CD1-CB 4.35Å; Y602-P617 HydrophobicContact CD1-CG 4.25Å; Y602-P617 HydrophobicContact CE1-CB 3.71Å; Y602-P617 HydrophobicContact CE1-CG 3.37Å; Y602-P617 HydrophobicContact CE2-CB 4.29Å; Y602-P617 WeakPolarHBondContact OH-CG 3.48Å; P617-Y619 HydrophobicContact CB-CD1 3.67Å; P617-Y619 HydrophobicContact CB-CE1 3.64Å; P617-Y619 HydrophobicContact CG-CE1 4.37Å; P617-P620 WeakPolarHBondContact O-CD 3.14Å; P617-P687 HydrophobicContact CB-CG 4.04Å; P617-P687 HydrophobicContact CG-CB 4.02Å; P617-P687 HydrophobicContact CG-CG 3.64Å | ||
| 618 | E | 92.4 | Very high | 91.2 | Very high | 130 Ų | 130 | 57 Ų | 57 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -78.8 | -21.6 | -178.4 | -64.1 | -174.2 | -176.3 | 0 | 0 | 113.8 | V616 A621 W622 | V616-E618 PolarHBondContact O-N 3.03Å; E618-A621 WeakPolarHBondContact O-CB 3.33Å; E618-A621 PolarHBondContact O-N 3.01Å; E618-A621 VanDerWaalsContact O-N 3.14Å; E618-W622 HydrophobicContact CB-CZ2 4.27Å; E618-W622 PolarHBondContact O-NE1 3.01Å |
| 619 | Y | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -34.7 | -171.8 | 79.9 | -96.8 | 0 | 0 | 0 | 115.6 | W566 H595 V598 K599 Y602 P617 A621 W622 F623 P687 | W566-Y619 HydrophobicContact CH2-CD1 4.04Å; W566-Y619 HydrophobicContact CH2-CG 4.18Å; W566-Y619 HydrophobicContact CZ2-CD1 4.24Å; H595-Y619 AromaticContact CD2-CE2 3.95Å; H595-Y619 AromaticContact NE2-CE2 3.74Å; V598-Y619 HydrophobicContact CG1-CD2 3.92Å; V598-Y619 HydrophobicContact CG1-CG 4Å; K599-Y619 HydrophobicContact CB-CE2 4.01Å; K599-Y619 WeakPolarHBondContact CG-OH 3.25Å; Y602-Y619 HydrophobicContact CD1-CD1 4.27Å; Y602-Y619 AromaticContact CD1-CE1 3.71Å; Y602-Y619 HydrophobicContact CD1-CE1 3.71Å; Y602-Y619 HydrophobicContact CD2-CD1 4.24Å; Y602-Y619 HydrophobicContact CD2-CE1 4.48Å; Y602-Y619 HydrophobicContact CE1-CE1 4.34Å; Y602-Y619 AromaticContact CG-CD1 3.95Å; Y602-Y619 HydrophobicContact CG-CD1 3.95Å; Y602-Y619 AromaticContact CG-CE1 3.77Å; Y602-Y619 HydrophobicContact CG-CE1 3.77Å; P617-Y619 HydrophobicContact CB-CD1 3.67Å; P617-Y619 HydrophobicContact CB-CE1 3.64Å; P617-Y619 HydrophobicContact CG-CE1 4.37Å; Y619-A621 PolarHBondContact O-N 3.4Å; Y619-W622 VanDerWaalsContact CB-CZ3 3.45Å; Y619-W622 WeakPolarHBondContact O-CB 3.42Å; Y619-W622 PolarHBondContact O-N 2.77Å; Y619-F623 WeakPolarHBondContact O-CD2 3.33Å; Y619-P687 HydrophobicContact CE1-CG 4.31Å; Y619-P687 WeakPolarHBondContact OH-CD 3.27Å |
| 620 | P | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -29.1 | 179.9 | -19.9 | 32.8 | 0 | 0 | 0 | 112.8 | P617 W622 F623 E624 C686 P687 I691 | P617-P620 WeakPolarHBondContact O-CD 3.14Å; P620-W622 VanDerWaalsContact C-N 3.28Å; P620-W622 PolarHBondContact O-N 3.37Å; P620-F623 PolarHBondContact O-N 3.08Å; P620-F623 VanDerWaalsContact O-N 3.14Å; P620-E624 PolarHBondContact O-N 3.01Å; P620-C686 WeakPolarHBondContact CB-SG 3.48Å; P620-P687 HydrophobicContact CG-CG 3.83Å; P620-I691 HydrophobicContact CB-CD1 4.01Å |
| 621 | A | 95.4 | Very high | 92 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 41% | 0.413 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.9 | -33.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E618 Y619 F623 E624 I691 | E618-A621 WeakPolarHBondContact O-CB 3.33Å; E618-A621 PolarHBondContact O-N 3.01Å; E618-A621 VanDerWaalsContact O-N 3.14Å; Y619-A621 PolarHBondContact O-N 3.4Å; A621-F623 PolarHBondContact O-N 3.09Å; A621-E624 PolarHBondContact O-N 3.04Å; A621-I691 HydrophobicContact CB-CD1 3.84Å |
| 622 | W | 96.8 | Very high | 92.4 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 10% | 0.095 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -27.5 | 177.4 | -43.1 | -23.5 | 0 | 0 | 0 | 111.9 | W566 A570 M573 K574 M577 V598 E618 Y619 P620 F626 | W566-W622 HydrophobicContact CH2-CH2 4.39Å; W566-W622 HydrophobicContact CZ2-CH2 4.09Å; A570-W622 HydrophobicContact CB-CH2 3.49Å; A570-W622 VanDerWaalsContact CB-CH2 3.49Å; A570-W622 HydrophobicContact CB-CZ2 4.05Å; A570-W622 HydrophobicContact CB-CZ3 4.46Å; M573-W622 HydrophobicContact CB-CE3 4.22Å; M573-W622 HydrophobicContact CB-CZ3 4.03Å; M573-W622 HydrophobicContact CG-CE3 3.63Å; M573-W622 HydrophobicContact CG-CZ3 3.77Å; K574-W622 HydrophobicContact CB-CD2 4.11Å; K574-W622 HydrophobicContact CB-CG 4.33Å; K574-W622 HydrophobicContact CB-CZ2 4.32Å; K574-W622 HydrophobicContact CG-CG 4.4Å; M577-W622 HydrophobicContact CB-CB 3.95Å; M577-W622 HydrophobicContact CG-CB 4.02Å; V598-W622 HydrophobicContact CG1-CZ3 4.48Å; E618-W622 HydrophobicContact CB-CZ2 4.27Å; E618-W622 PolarHBondContact O-NE1 3.01Å; Y619-W622 VanDerWaalsContact CB-CZ3 3.45Å; Y619-W622 WeakPolarHBondContact O-CB 3.42Å; Y619-W622 PolarHBondContact O-N 2.77Å; P620-W622 VanDerWaalsContact C-N 3.28Å; P620-W622 PolarHBondContact O-N 3.37Å; W622-F626 WeakPolarHBondContact O-CE2 3.31Å |
| 623 | F | 97.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -100.8 | -11.5 | -176.2 | -66.9 | -77.3 | 0 | 0 | 0 | 114 | M573 M577 L594 H595 V598 Y619 P620 A621 F626 V627 | M573-F623 HydrophobicContact CG-CZ 4.46Å; M573-F623 HydrophobicContact SD-CZ 4.12Å; M577-F623 HydrophobicContact CG-CE1 4.11Å; M577-F623 HydrophobicContact CG-CZ 4.19Å; M577-F623 HydrophobicContact SD-CD1 4.01Å; M577-F623 HydrophobicContact SD-CE1 3.49Å; M577-F623 WeakPolarHBondContact SD-CE1 3.27Å; M577-F623 HydrophobicContact SD-CZ 4.08Å; L594-F623 HydrophobicContact CB-CE1 4.28Å; L594-F623 HydrophobicContact CD2-CE1 4.1Å; L594-F623 HydrophobicContact CD2-CZ 4.33Å; L594-F623 HydrophobicContact CG-CE1 4.01Å; L594-F623 HydrophobicContact CG-CZ 4.07Å; H595-F623 HydrophobicContact CB-CB 4.14Å; H595-F623 HydrophobicContact CB-CD1 3.79Å; H595-F623 HydrophobicContact CB-CD2 4.12Å; H595-F623 HydrophobicContact CB-CE1 4.22Å; H595-F623 HydrophobicContact CB-CG 3.74Å; H595-F623 AromaticContact CD2-CD2 3.96Å; H595-F623 AromaticContact CG-CD2 3.87Å; H595-F623 AromaticContact CG-CG 3.67Å; H595-F623 VanDerWaalsContact ND1-CB 3.27Å; H595-F623 WeakPolarHBondContact ND1-CB 3.17Å; H595-F623 AromaticContact ND1-CG 3.81Å; V598-F623 HydrophobicContact CB-CE2 4.15Å; V598-F623 HydrophobicContact CB-CZ 4.43Å; V598-F623 HydrophobicContact CG1-CE2 4.21Å; V598-F623 HydrophobicContact CG2-CE2 4.12Å; V598-F623 HydrophobicContact CG2-CZ 3.97Å; Y619-F623 WeakPolarHBondContact O-CD2 3.33Å; P620-F623 PolarHBondContact O-N 3.08Å; P620-F623 VanDerWaalsContact O-N 3.14Å; A621-F623 PolarHBondContact O-N 3.09Å; F623-F626 PolarHBondContact O-N 2.81Å; F623-F626 VanDerWaalsContact O-N 3.08Å; F623-V627 WeakPolarHBondContact O-CG2 3.34Å; F623-V627 PolarHBondContact O-N 2.82Å |
| 624 | E | 95.8 | Very high | 93.1 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -51.1 | -48.8 | -177.7 | 171.3 | 173.7 | -149.4 | 0 | 0 | 113.8 | P620 A621 F626 V627 V628 I691 N694 Y695 | P620-E624 PolarHBondContact O-N 3.01Å; A621-E624 PolarHBondContact O-N 3.04Å; E624-F626 PolarHBondContact O-N 3.39Å; E624-V627 PolarHBondContact O-N 3.48Å; E624-V628 WeakPolarHBondContact O-CG2 3.45Å; E624-V628 PolarHBondContact O-N 3.25Å; E624-I691 HydrophobicContact CB-CG2 4.15Å; E624-I691 HydrophobicContact CG-CG2 4.28Å; E624-N694 WeakPolarHBondContact OE1-CB 3.48Å; E624-N694 PolarHBondContact OE1-ND2 3.26Å; E624-Y695 HydrophobicContact CB-CE1 4.25Å; E624-Y695 HydrophobicContact CG-CE1 4.01Å |
| 625 | P | 95.9 | Very high | 94 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -34.3 | 179.8 | -23.7 | 34.2 | 0 | 0 | 0 | 113.3 | E581 M629 | E581-P625 HydrophobicContact CG-CB 4.02Å; E581-P625 HydrophobicContact CG-CG 4.24Å; E581-P625 WeakPolarHBondContact OE1-CB 3.46Å; E581-P625 VanDerWaalsContact OE1-CG 3.31Å; E581-P625 WeakPolarHBondContact OE1-CG 3.4Å; P625-M629 WeakPolarHBondContact O-CB 3.49Å; P625-M629 PolarHBondContact O-N 2.87Å |
| 626 | F | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -80.5 | -32.5 | -178.2 | -52.8 | -78.1 | 0 | 0 | 0 | 112.4 | M577 H580 E581 Y591 W622 F623 E624 V628 M629 W630 | M577-F626 HydrophobicContact CB-CE2 4.2Å; M577-F626 WeakPolarHBondContact O-CZ 3.36Å; M577-F626 HydrophobicContact SD-CE2 4.03Å; H580-F626 HydrophobicContact CB-CE1 4.07Å; H580-F626 HydrophobicContact CB-CZ 3.73Å; E581-F626 HydrophobicContact CB-CZ 3.97Å; Y591-F626 HydrophobicContact CD1-CB 4.47Å; Y591-F626 AromaticContact CD1-CD1 3.76Å; Y591-F626 HydrophobicContact CD1-CD1 3.76Å; Y591-F626 HydrophobicContact CD1-CD2 4.3Å; Y591-F626 AromaticContact CD1-CE1 3.99Å; Y591-F626 HydrophobicContact CD1-CE1 3.99Å; Y591-F626 HydrophobicContact CD1-CE2 4.5Å; Y591-F626 AromaticContact CD1-CG 3.91Å; Y591-F626 HydrophobicContact CD1-CG 3.91Å; Y591-F626 HydrophobicContact CD1-CZ 4.34Å; Y591-F626 HydrophobicContact CD2-CB 4.32Å; Y591-F626 AromaticContact CD2-CD1 3.72Å; Y591-F626 HydrophobicContact CD2-CD1 3.72Å; Y591-F626 HydrophobicContact CD2-CE1 4.39Å; Y591-F626 HydrophobicContact CD2-CG 4.24Å; Y591-F626 AromaticContact CE1-CD1 3.83Å; Y591-F626 HydrophobicContact CE1-CD1 3.83Å; Y591-F626 AromaticContact CE1-CE1 3.62Å; Y591-F626 HydrophobicContact CE1-CE1 3.62Å; Y591-F626 HydrophobicContact CE1-CG 4.39Å; Y591-F626 HydrophobicContact CE1-CZ 4.02Å; Y591-F626 AromaticContact CE2-CD1 3.77Å; Y591-F626 HydrophobicContact CE2-CD1 3.77Å; Y591-F626 HydrophobicContact CE2-CE1 4.04Å; Y591-F626 HydrophobicContact CG-CB 3.95Å; Y591-F626 AromaticContact CG-CD1 3.72Å; Y591-F626 HydrophobicContact CG-CD1 3.72Å; Y591-F626 HydrophobicContact CG-CE1 4.37Å; Y591-F626 AromaticContact CG-CG 3.84Å; Y591-F626 HydrophobicContact CG-CG 3.84Å; Y591-F626 AromaticContact CZ-CD1 3.82Å; Y591-F626 AromaticContact CZ-CE1 3.64Å; W622-F626 WeakPolarHBondContact O-CE2 3.31Å; F623-F626 PolarHBondContact O-N 2.81Å; F623-F626 VanDerWaalsContact O-N 3.08Å; E624-F626 PolarHBondContact O-N 3.39Å; F626-V628 VanDerWaalsContact C-N 3.34Å; F626-M629 HydrophobicContact CD1-CE 4.39Å; F626-M629 PolarHBondContact O-N 3.44Å; F626-W630 WeakPolarHBondContact O-CB 3.46Å; F626-W630 PolarHBondContact O-N 2.99Å |
| 627 | V | 96 | Very high | 95 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 170.2 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | M592 F623 E624 W630 L631 L684 Y695 | M592-V627 HydrophobicContact SD-CB 4.39Å; M592-V627 HydrophobicContact SD-CG1 4.46Å; M592-V627 HydrophobicContact SD-CG2 3.81Å; F623-V627 WeakPolarHBondContact O-CG2 3.34Å; F623-V627 PolarHBondContact O-N 2.82Å; E624-V627 PolarHBondContact O-N 3.48Å; V627-W630 WeakPolarHBondContact O-CB 3.35Å; V627-W630 PolarHBondContact O-N 2.9Å; V627-L631 HydrophobicContact CG1-CD1 4.39Å; V627-L631 VanDerWaalsContact O-CG 3.32Å; V627-L631 WeakPolarHBondContact O-CG 3.35Å; V627-L631 PolarHBondContact O-N 3.01Å; V627-L684 HydrophobicContact CG1-CD1 4.19Å; V627-L684 HydrophobicContact CG2-CD1 4.13Å; V627-Y695 HydrophobicContact CB-CD1 4.37Å; V627-Y695 HydrophobicContact CB-CE1 3.7Å; V627-Y695 HydrophobicContact CG1-CD1 3.86Å; V627-Y695 HydrophobicContact CG1-CD2 4.24Å; V627-Y695 HydrophobicContact CG1-CE1 3.65Å; V627-Y695 HydrophobicContact CG1-CE2 4.04Å; V627-Y695 HydrophobicContact CG1-CG 4.17Å; V627-Y695 HydrophobicContact CG2-CE1 4.33Å; V627-Y695 HydrophobicContact CG2-CE2 4.5Å |
| 628 | V | 94.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 26% | 0.255 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | E624 F626 W630 L631 D632 | E624-V628 WeakPolarHBondContact O-CG2 3.45Å; E624-V628 PolarHBondContact O-N 3.25Å; F626-V628 VanDerWaalsContact C-N 3.34Å; V628-W630 VanDerWaalsContact C-N 3.32Å; V628-W630 PolarHBondContact O-N 2.96Å; V628-L631 WeakPolarHBondContact O-CB 3.33Å; V628-L631 PolarHBondContact O-N 3.47Å; V628-L631 VanDerWaalsContact O-N 3.09Å; V628-D632 PolarHBondContact O-N 3.02Å |
| 629 | M | 94.5 | Very high | 95.2 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.4 | -43.1 | 173.5 | -174.4 | 179.1 | 78.8 | 0 | 0 | 112 | R584 Y591 P625 F626 L631 D632 E633 | R584-M629 HydrophobicContact CB-SD 4.42Å; R584-M629 HydrophobicContact CG-SD 4.49Å; Y591-M629 HydrophobicContact CD2-CE 4.07Å; Y591-M629 HydrophobicContact CE2-CE 4.16Å; P625-M629 WeakPolarHBondContact O-CB 3.49Å; P625-M629 PolarHBondContact O-N 2.87Å; F626-M629 HydrophobicContact CD1-CE 4.39Å; F626-M629 PolarHBondContact O-N 3.44Å; M629-L631 VanDerWaalsContact C-N 3.32Å; M629-L631 PolarHBondContact O-N 3.46Å; M629-D632 WeakPolarHBondContact O-CB 3.26Å; M629-D632 PolarHBondContact O-N 2.69Å; M629-E633 PolarHBondContact O-N 2.94Å; M629-E633 VanDerWaalsContact O-N 3.09Å |
| 630 | W | 96.8 | Very high | 95.1 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 11% | 0.114 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 174.2 | -177.6 | 83.8 | 0 | 0 | 0 | 112.2 | M592 F626 V627 V628 D632 E633 N634 I680 I681 | M592-W630 HydrophobicContact CE-CD2 4.19Å; M592-W630 HydrophobicContact CE-CE3 4.26Å; M592-W630 HydrophobicContact CG-CB 4.17Å; M592-W630 HydrophobicContact CG-CD2 4.44Å; M592-W630 HydrophobicContact CG-CG 3.87Å; M592-W630 HydrophobicContact SD-CB 4.27Å; M592-W630 HydrophobicContact SD-CD2 4.47Å; M592-W630 HydrophobicContact SD-CG 4.22Å; F626-W630 WeakPolarHBondContact O-CB 3.46Å; F626-W630 PolarHBondContact O-N 2.99Å; V627-W630 WeakPolarHBondContact O-CB 3.35Å; V627-W630 PolarHBondContact O-N 2.9Å; V628-W630 VanDerWaalsContact C-N 3.32Å; V628-W630 PolarHBondContact O-N 2.96Å; W630-D632 VanDerWaalsContact C-N 3.35Å; W630-E633 PolarHBondContact O-N 2.97Å; W630-N634 HydrophobicContact CE3-CB 4.44Å; W630-N634 HydrophobicContact CH2-CB 4.28Å; W630-N634 HydrophobicContact CZ2-CB 4.41Å; W630-N634 HydrophobicContact CZ3-CB 4.3Å; W630-N634 WeakPolarHBondContact O-CB 3.41Å; W630-N634 PolarHBondContact O-N 3.32Å; W630-I680 HydrophobicContact CH2-CB 3.87Å; W630-I680 HydrophobicContact CH2-CD1 3.71Å; W630-I680 HydrophobicContact CH2-CG1 4.38Å; W630-I680 HydrophobicContact CH2-CG2 3.84Å; W630-I680 HydrophobicContact CZ2-CB 4.32Å; W630-I680 HydrophobicContact CZ2-CD1 3.5Å; W630-I680 HydrophobicContact CZ2-CG2 4.01Å; W630-I680 HydrophobicContact CZ3-CG2 4.3Å; W630-I681 HydrophobicContact CZ3-CG1 4.3Å |
| 631 | L | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.2 | -34.4 | 175.9 | -70.5 | 171.3 | 0 | 0 | 0 | 112.7 | V627 V628 M629 E635 I681 R698 F699 | V627-L631 HydrophobicContact CG1-CD1 4.39Å; V627-L631 VanDerWaalsContact O-CG 3.32Å; V627-L631 WeakPolarHBondContact O-CG 3.35Å; V627-L631 PolarHBondContact O-N 3.01Å; V628-L631 WeakPolarHBondContact O-CB 3.33Å; V628-L631 PolarHBondContact O-N 3.47Å; V628-L631 VanDerWaalsContact O-N 3.09Å; M629-L631 VanDerWaalsContact C-N 3.32Å; M629-L631 PolarHBondContact O-N 3.46Å; L631-E635 PolarHBondContact O-N 3.32Å; L631-I681 HydrophobicContact CD2-CD1 3.51Å; L631-I681 HydrophobicContact CD2-CG1 4.06Å; L631-R698 HydrophobicContact CB-CG 3.86Å; L631-R698 HydrophobicContact CD1-CB 4.02Å; L631-R698 HydrophobicContact CD1-CG 3.81Å; L631-R698 HydrophobicContact CG-CG 4.48Å; L631-F699 HydrophobicContact CD2-CD2 4.08Å |
| 632 | D | 94.1 | Very high | 95 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.1 | -51.5 | 173 | -67.7 | -30.2 | 0 | 0 | 0 | 110.7 | V628 M629 W630 N634 E635 E636 R698 | V628-D632 PolarHBondContact O-N 3.02Å; M629-D632 WeakPolarHBondContact O-CB 3.26Å; M629-D632 PolarHBondContact O-N 2.69Å; W630-D632 VanDerWaalsContact C-N 3.35Å; D632-N634 VanDerWaalsContact C-N 3.32Å; D632-N634 PolarHBondContact O-N 3.2Å; D632-E635 WeakPolarHBondContact O-CB 3.33Å; D632-E635 PolarHBondContact O-N 2.95Å; D632-E636 PolarHBondContact O-N 3.41Å; D632-R698 IonicContact OD1-CZ 3.32Å; D632-R698 IonicContact OD1-NE 2.65Å; D632-R698 PolarHBondContact OD1-NE 3.02Å; D632-R698 IonicContact OD1-NH2 2.89Å; D632-R698 PolarHBondContact OD1-NH2 3.17Å |
| 633 | E | 94.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 43.6 Ų | 43.6 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.3 | -42 | 175.6 | -68.4 | 174.6 | -164.4 | 0 | 0 | 111.7 | S588 M629 W630 E635 E636 V637 | S588-E633 VanDerWaalsContact CB-OE2 3.28Å; S588-E633 WeakPolarHBondContact CB-OE2 3.48Å; S588-E633 PolarHBondContact OG-OE2 2.89Å; M629-E633 PolarHBondContact O-N 2.94Å; M629-E633 VanDerWaalsContact O-N 3.09Å; W630-E633 PolarHBondContact O-N 2.97Å; E633-E635 VanDerWaalsContact C-N 3.29Å; E633-E635 PolarHBondContact O-N 3.17Å; E633-E636 PolarHBondContact O-N 2.79Å; E633-V637 WeakPolarHBondContact O-CG2 2.95Å; E633-V637 PolarHBondContact O-N 3.15Å; E633-V637 VanDerWaalsContact O-N 3.08Å |
| 634 | N | 93.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.08 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -32.9 | 178.2 | 178 | 84.2 | 0 | 0 | 0 | 112.4 | W630 D632 S638 S677 | W630-N634 HydrophobicContact CE3-CB 4.44Å; W630-N634 HydrophobicContact CH2-CB 4.28Å; W630-N634 HydrophobicContact CZ2-CB 4.41Å; W630-N634 HydrophobicContact CZ3-CB 4.3Å; W630-N634 WeakPolarHBondContact O-CB 3.41Å; W630-N634 PolarHBondContact O-N 3.32Å; D632-N634 VanDerWaalsContact C-N 3.32Å; D632-N634 PolarHBondContact O-N 3.2Å; N634-S638 VanDerWaalsContact O-CB 3.28Å; N634-S638 WeakPolarHBondContact O-CB 3.38Å; N634-S638 PolarHBondContact O-N 3.36Å; N634-S638 PolarHBondContact O-OG 3.46Å; N634-S677 VanDerWaalsContact CG-OG 3.3Å; N634-S677 WeakPolarHBondContact ND2-CB 3.48Å; N634-S677 PolarHBondContact ND2-OG 3.24Å; N634-S677 VanDerWaalsContact ND2-OG 3.1Å; N634-S677 WeakPolarHBondContact OD1-CB 3.41Å; N634-S677 PolarHBondContact OD1-OG 3.26Å |
| 635 | E | 94.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 173.3 | 177.1 | 177.4 | 155 | 0 | 0 | 111.4 | L631 D632 E633 S638 R639 R698 T702 N705 | L631-E635 PolarHBondContact O-N 3.32Å; D632-E635 WeakPolarHBondContact O-CB 3.33Å; D632-E635 PolarHBondContact O-N 2.95Å; E633-E635 VanDerWaalsContact C-N 3.29Å; E633-E635 PolarHBondContact O-N 3.17Å; E635-S638 PolarHBondContact O-N 2.89Å; E635-R639 WeakPolarHBondContact O-CG 3.43Å; E635-R639 PolarHBondContact O-N 2.92Å; E635-R639 IonicContact OE1-CZ 3.87Å; E635-R639 IonicContact OE1-NH1 3.75Å; E635-R639 PolarHBondContact OE1-NH1 3.24Å; E635-R639 VanDerWaalsContact OE1-NH1 3.07Å; E635-R698 IonicContact OE2-CZ 3.53Å; E635-R698 VanDerWaalsContact OE2-CZ 3.23Å; E635-R698 IonicContact OE2-NH1 3.48Å; E635-R698 PolarHBondContact OE2-NH1 3.42Å; E635-R698 IonicContact OE2-NH2 3.42Å; E635-R698 PolarHBondContact OE2-NH2 3.48Å; E635-T702 HydrophobicContact CB-CG2 3.71Å; E635-T702 HydrophobicContact CG-CG2 3.98Å; E635-N705 PolarHBondContact OE1-ND2 3.46Å |
| 636 | E | 93.4 | Very high | 94.4 | Very high | 113 Ų | 113 | 41.8 Ų | 41.8 | 53% | 0.528 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 179 | -56.8 | -162.4 | 145.9 | 0 | 0 | 111.1 | D632 E633 S638 R639 D640 | D632-E636 PolarHBondContact O-N 3.41Å; E633-E636 PolarHBondContact O-N 2.79Å; E636-S638 VanDerWaalsContact C-N 3.25Å; E636-S638 PolarHBondContact O-N 3.26Å; E636-R639 PolarHBondContact O-N 2.87Å; E636-R639 VanDerWaalsContact O-N 3.1Å; E636-R639 IonicContact OE1-NH2 2.63Å; E636-D640 PolarHBondContact O-N 2.97Å |
| 637 | V | 94.3 | Very high | 94.2 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.5 | -40 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | E633 D640 F641 | E633-V637 WeakPolarHBondContact O-CG2 2.95Å; E633-V637 PolarHBondContact O-N 3.15Å; E633-V637 VanDerWaalsContact O-N 3.08Å; V637-D640 PolarHBondContact O-N 3.14Å; V637-F641 VanDerWaalsContact O-CB 3.27Å; V637-F641 WeakPolarHBondContact O-CB 3.4Å; V637-F641 PolarHBondContact O-N 3.11Å |
| 638 | S | 94.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.5 | -35.1 | 179 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | N634 E635 E636 L642 | N634-S638 VanDerWaalsContact O-CB 3.28Å; N634-S638 WeakPolarHBondContact O-CB 3.38Å; N634-S638 PolarHBondContact O-N 3.36Å; N634-S638 PolarHBondContact O-OG 3.46Å; E635-S638 PolarHBondContact O-N 2.89Å; E636-S638 VanDerWaalsContact C-N 3.25Å; E636-S638 PolarHBondContact O-N 3.26Å; S638-L642 WeakPolarHBondContact O-CB 3.46Å; S638-L642 PolarHBondContact O-N 3.32Å |
| 639 | R | 93.6 | Very high | 94.2 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 30% | 0.302 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.7 | -41.7 | 174.7 | -69.7 | -172.8 | -52.1 | -146.7 | 7.6 | 112 | E635 E636 F641 L642 H643 V706 | E635-R639 WeakPolarHBondContact O-CG 3.43Å; E635-R639 PolarHBondContact O-N 2.92Å; E635-R639 IonicContact OE1-CZ 3.87Å; E635-R639 IonicContact OE1-NH1 3.75Å; E635-R639 PolarHBondContact OE1-NH1 3.24Å; E635-R639 VanDerWaalsContact OE1-NH1 3.07Å; E636-R639 PolarHBondContact O-N 2.87Å; E636-R639 VanDerWaalsContact O-N 3.1Å; E636-R639 IonicContact OE1-NH2 2.63Å; R639-F641 VanDerWaalsContact C-N 3.34Å; R639-L642 WeakPolarHBondContact O-CB 3.34Å; R639-L642 PolarHBondContact O-N 2.98Å; R639-H643 PolarHBondContact O-CD2 3.49Å; R639-H643 PolarHBondContact O-N 2.97Å; R639-V706 HydrophobicContact CG-CG2 4.14Å |
| 640 | D | 92.6 | Very high | 94 | Very high | 117 Ų | 117 | 53 Ų | 53 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 176.5 | -72.8 | -10.4 | 0 | 0 | 0 | 111.1 | E636 V637 L642 H643 G644 | E636-D640 PolarHBondContact O-N 2.97Å; V637-D640 PolarHBondContact O-N 3.14Å; D640-L642 VanDerWaalsContact C-N 3.35Å; D640-L642 PolarHBondContact O-N 3.36Å; D640-H643 PolarHBondContact O-N 3.29Å; D640-G644 PolarHBondContact O-N 3.43Å |
| 641 | F | 94.8 | Very high | 93.8 | Very high | 74 Ų | 74 | 60.5 Ų | 60.5 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.2 | -174.3 | -90.7 | 0 | 0 | 0 | 112 | V637 R639 G644 A645 D669 Q673 | V637-F641 VanDerWaalsContact O-CB 3.27Å; V637-F641 WeakPolarHBondContact O-CB 3.4Å; V637-F641 PolarHBondContact O-N 3.11Å; R639-F641 VanDerWaalsContact C-N 3.34Å; F641-G644 PolarHBondContact O-N 3.27Å; F641-A645 WeakPolarHBondContact O-CB 3.32Å; F641-A645 PolarHBondContact O-N 3.17Å; F641-D669 HydrophobicContact CE1-CB 3.94Å; F641-D669 WeakPolarHBondContact CE1-O 3.48Å; F641-D669 HydrophobicContact CZ-CB 4.28Å; F641-Q673 HydrophobicContact CB-CG 4.48Å; F641-Q673 HydrophobicContact CD1-CB 3.8Å; F641-Q673 HydrophobicContact CD1-CG 4.04Å; F641-Q673 HydrophobicContact CE1-CB 3.88Å; F641-Q673 HydrophobicContact CG-CB 4.43Å; F641-Q673 HydrophobicContact CG-CG 4.25Å |
| 642 | L | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56 | -50.4 | 174.3 | 161.5 | 70.4 | 0 | 0 | 0 | 111.8 | S638 R639 D640 G644 A645 L646 V670 V706 Y710 | S638-L642 WeakPolarHBondContact O-CB 3.46Å; S638-L642 PolarHBondContact O-N 3.32Å; R639-L642 WeakPolarHBondContact O-CB 3.34Å; R639-L642 PolarHBondContact O-N 2.98Å; D640-L642 VanDerWaalsContact C-N 3.35Å; D640-L642 PolarHBondContact O-N 3.36Å; L642-G644 VanDerWaalsContact C-N 3.33Å; L642-G644 PolarHBondContact O-N 3.25Å; L642-A645 PolarHBondContact O-N 3.2Å; L642-L646 HydrophobicContact CD1-CD1 3.74Å; L642-L646 HydrophobicContact CD1-CG 4.08Å; L642-L646 HydrophobicContact CG-CD1 4.31Å; L642-L646 PolarHBondContact O-N 3.44Å; L642-V670 HydrophobicContact CB-CG2 4.34Å; L642-V670 HydrophobicContact CD1-CG2 3.56Å; L642-V706 HydrophobicContact CB-CG1 4.46Å; L642-V706 HydrophobicContact CD2-CG1 4.2Å; L642-V706 VanDerWaalsContact CD2-O 3.29Å; L642-V706 WeakPolarHBondContact CD2-O 3.32Å; L642-Y710 HydrophobicContact CD1-CD2 3.37Å; L642-Y710 HydrophobicContact CD1-CE2 4.33Å; L642-Y710 HydrophobicContact CD1-CG 3.98Å |
| 643 | H | 92.6 | Very high | 93.3 | Very high | 92 Ų | 92 | 62.9 Ų | 62.9 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 179 | -79.2 | -64 | 0 | 0 | 0 | 111.3 | R639 D640 A645 L646 E647 I713 | R639-H643 PolarHBondContact O-CD2 3.49Å; R639-H643 PolarHBondContact O-N 2.97Å; D640-H643 PolarHBondContact O-N 3.29Å; H643-A645 VanDerWaalsContact C-N 3.35Å; H643-A645 PolarHBondContact O-N 3Å; H643-L646 PolarHBondContact O-N 3.33Å; H643-E647 WeakPolarHBondContact O-CG 3.5Å; H643-E647 PolarHBondContact O-N 3.37Å; H643-I713 WeakPolarHBondContact CE1-CD1 3.47Å; H643-I713 WeakPolarHBondContact ND1-CD1 3.42Å |
| 644 | G | 92.5 | Very high | 93.2 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D640 F641 L642 R648 | D640-G644 PolarHBondContact O-N 3.43Å; F641-G644 PolarHBondContact O-N 3.27Å; L642-G644 VanDerWaalsContact C-N 3.33Å; L642-G644 PolarHBondContact O-N 3.25Å; G644-R648 WeakPolarHBondContact O-CG 3.22Å; G644-R648 PolarHBondContact O-N 3.35Å; G644-R648 PolarHBondContact O-NH1 3.43Å |
| 645 | A | 94.2 | Very high | 93 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -44.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F641 L642 H643 R648 D649 D669 | F641-A645 WeakPolarHBondContact O-CB 3.32Å; F641-A645 PolarHBondContact O-N 3.17Å; L642-A645 PolarHBondContact O-N 3.2Å; H643-A645 VanDerWaalsContact C-N 3.35Å; H643-A645 PolarHBondContact O-N 3Å; A645-R648 PolarHBondContact O-N 3.28Å; A645-D649 WeakPolarHBondContact O-CB 3.31Å; A645-D649 PolarHBondContact O-N 2.93Å; A645-D649 VanDerWaalsContact O-N 3.08Å; A645-D669 HydrophobicContact CB-CB 3.99Å |
| 646 | L | 93.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 178 | -82.6 | 175.7 | 0 | 0 | 0 | 112.7 | L642 H643 R648 D649 K650 Y710 I713 I714 | L642-L646 HydrophobicContact CD1-CD1 3.74Å; L642-L646 HydrophobicContact CD1-CG 4.08Å; L642-L646 HydrophobicContact CG-CD1 4.31Å; L642-L646 PolarHBondContact O-N 3.44Å; H643-L646 PolarHBondContact O-N 3.33Å; L646-R648 VanDerWaalsContact C-N 3.34Å; L646-R648 PolarHBondContact O-N 3.09Å; L646-D649 PolarHBondContact O-N 3.33Å; L646-K650 VanDerWaalsContact O-CB 3.26Å; L646-K650 WeakPolarHBondContact O-CB 3.28Å; L646-K650 PolarHBondContact O-N 3.38Å; L646-Y710 HydrophobicContact CD1-CD2 4.04Å; L646-Y710 HydrophobicContact CD1-CE2 4.35Å; L646-Y710 HydrophobicContact CD1-CG 4.22Å; L646-Y710 HydrophobicContact CD2-CD2 4.06Å; L646-Y710 HydrophobicContact CD2-CE1 4.24Å; L646-Y710 HydrophobicContact CD2-CE2 3.51Å; L646-Y710 HydrophobicContact CG-CD2 4.14Å; L646-Y710 HydrophobicContact CG-CE2 4.01Å; L646-I713 HydrophobicContact CD1-CB 4.15Å; L646-I713 HydrophobicContact CD1-CD1 3.8Å; L646-I713 HydrophobicContact CD1-CG2 4Å; L646-I714 HydrophobicContact CD2-CD1 4.06Å; L646-I714 HydrophobicContact CD2-CG1 4.43Å |
| 647 | E | 92.6 | Very high | 92.4 | Very high | 109 Ų | 109 | 65 Ų | 65 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 178.2 | -73.5 | -58 | 132.3 | 0 | 0 | 112.4 | H643 K651 | H643-E647 WeakPolarHBondContact O-CG 3.5Å; H643-E647 PolarHBondContact O-N 3.37Å; E647-K651 WeakPolarHBondContact O-CB 3.33Å; E647-K651 PolarHBondContact O-N 3.41Å |
| 648 | R | 93.4 | Very high | 92 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -50.5 | 171.7 | -74.1 | -172 | -54 | -93.9 | 7.3 | 111.3 | G644 A645 L646 K650 K651 D652 D669 | G644-R648 WeakPolarHBondContact O-CG 3.22Å; G644-R648 PolarHBondContact O-N 3.35Å; G644-R648 PolarHBondContact O-NH1 3.43Å; A645-R648 PolarHBondContact O-N 3.28Å; L646-R648 VanDerWaalsContact C-N 3.34Å; L646-R648 PolarHBondContact O-N 3.09Å; R648-K650 VanDerWaalsContact C-N 3.32Å; R648-K650 PolarHBondContact O-N 3.45Å; R648-K651 WeakPolarHBondContact O-CB 3.34Å; R648-K651 PolarHBondContact O-N 3.06Å; R648-K651 VanDerWaalsContact O-N 3.1Å; R648-D652 PolarHBondContact O-N 3.15Å; R648-D669 IonicContact NH2-OD2 2.77Å; R648-D669 PolarHBondContact NH2-OD2 3.31Å |
| 649 | D | 95.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | -178.9 | -168.4 | 12.7 | 0 | 0 | 0 | 112.4 | A645 L646 K651 D652 G653 F654 S664 S666 | A645-D649 WeakPolarHBondContact O-CB 3.31Å; A645-D649 PolarHBondContact O-N 2.93Å; A645-D649 VanDerWaalsContact O-N 3.08Å; L646-D649 PolarHBondContact O-N 3.33Å; D649-K651 VanDerWaalsContact C-N 3.34Å; D649-K651 PolarHBondContact O-N 3Å; D649-D652 CarbonylContact O-C 3.59Å; D649-D652 PolarHBondContact O-N 3.34Å; D649-G653 PolarHBondContact O-N 3.13Å; D649-F654 HydrophobicContact CB-CD1 4.47Å; D649-F654 HydrophobicContact CB-CE1 4.5Å; D649-F654 PolarHBondContact O-N 2.95Å; D649-F654 WeakPolarHBondContact OD1-CA 3.5Å; D649-S664 WeakPolarHBondContact OD1-CB 3.41Å; D649-S664 PolarHBondContact OD1-OG 3.26Å; D649-S664 VanDerWaalsContact OD2-CB 3.24Å; D649-S664 WeakPolarHBondContact OD2-CB 3.44Å; D649-S664 PolarHBondContact OD2-OG 3.25Å; D649-S666 WeakPolarHBondContact OD2-CB 3.48Å; D649-S666 PolarHBondContact OD2-N 3.08Å; D649-S666 PolarHBondContact OD2-OG 3.23Å |
| 650 | K | 91.8 | Very high | 90.5 | Very high | 79 Ų | 79 | 76.9 Ų | 76.9 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 172.3 | 179.9 | 172.2 | 176.9 | 161.6 | 0 | 112 | L646 R648 D652 G653 F654 D717 | L646-K650 VanDerWaalsContact O-CB 3.26Å; L646-K650 WeakPolarHBondContact O-CB 3.28Å; L646-K650 PolarHBondContact O-N 3.38Å; R648-K650 VanDerWaalsContact C-N 3.32Å; R648-K650 PolarHBondContact O-N 3.45Å; K650-D652 VanDerWaalsContact C-N 3.33Å; K650-G653 PolarHBondContact O-N 3.33Å; K650-F654 HydrophobicContact CB-CE2 4.11Å; K650-F654 HydrophobicContact CB-CZ 3.88Å; K650-F654 HydrophobicContact CG-CE2 4.18Å; K650-F654 HydrophobicContact CG-CZ 4.31Å; K650-D717 VanDerWaalsContact CE-OD2 3.31Å; K650-D717 WeakPolarHBondContact CE-OD2 3.28Å; K650-D717 VanDerWaalsContact NZ-CG 3.33Å; K650-D717 IonicContact NZ-OD1 2.71Å; K650-D717 PolarHBondContact NZ-OD1 3.25Å; K650-D717 IonicContact NZ-OD2 3.39Å; K650-D717 PolarHBondContact NZ-OD2 3.18Å |
| 651 | K | 91.4 | Very high | 90.3 | Very high | 188 Ų | 188 | 72 Ų | 72 | 82% | 0.817 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.6 | -36 | 176.7 | -171.3 | 179.4 | 180 | -178.2 | 0 | 112 | E647 R648 D649 G653 | E647-K651 WeakPolarHBondContact O-CB 3.33Å; E647-K651 PolarHBondContact O-N 3.41Å; R648-K651 WeakPolarHBondContact O-CB 3.34Å; R648-K651 PolarHBondContact O-N 3.06Å; R648-K651 VanDerWaalsContact O-N 3.1Å; D649-K651 VanDerWaalsContact C-N 3.34Å; D649-K651 PolarHBondContact O-N 3Å; K651-G653 PolarHBondContact O-N 3.48Å |
| 652 | D | 90.8 | Very high | 90.2 | Very high | 99 Ų | 99 | 70.6 Ų | 70.6 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77 | -8.8 | 176 | -64.7 | -15.1 | 0 | 0 | 0 | 112.5 | R648 D649 K650 Q655 | R648-D652 PolarHBondContact O-N 3.15Å; D649-D652 CarbonylContact O-C 3.59Å; D649-D652 PolarHBondContact O-N 3.34Å; K650-D652 VanDerWaalsContact C-N 3.33Å; D652-Q655 WeakPolarHBondContact O-CG 3.4Å; D652-Q655 PolarHBondContact O-NE2 3.41Å |
| 653 | G | 89.2 | Confident | 90.1 | Very high | 23 Ų | 23 | 72.1 Ų | 72.1 | 24% | 0.237 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 25.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D649 K650 K651 | D649-G653 PolarHBondContact O-N 3.13Å; K650-G653 PolarHBondContact O-N 3.33Å; K651-G653 PolarHBondContact O-N 3.48Å |
| 654 | F | 91.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 2% | 0.022 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 55 | 55.8 | -178.9 | -59 | -77.6 | 0 | 0 | 0 | 112.6 | D649 K650 I714 H721 V727 I730 I731 | D649-F654 HydrophobicContact CB-CD1 4.47Å; D649-F654 HydrophobicContact CB-CE1 4.5Å; D649-F654 PolarHBondContact O-N 2.95Å; D649-F654 WeakPolarHBondContact OD1-CA 3.5Å; K650-F654 HydrophobicContact CB-CE2 4.11Å; K650-F654 HydrophobicContact CB-CZ 3.88Å; K650-F654 HydrophobicContact CG-CE2 4.18Å; K650-F654 HydrophobicContact CG-CZ 4.31Å; F654-I714 HydrophobicContact CE1-CD1 4.24Å; F654-I714 HydrophobicContact CZ-CD1 4.36Å; F654-H721 AromaticContact CE2-CE1 3.95Å; F654-H721 AromaticContact CE2-NE2 3.95Å; F654-V727 HydrophobicContact CB-CG1 4.13Å; F654-V727 HydrophobicContact CD2-CG1 3.73Å; F654-V727 HydrophobicContact CG-CG1 4.26Å; F654-I730 VanDerWaalsContact O-CD1 3.22Å; F654-I730 WeakPolarHBondContact O-CD1 3.42Å; F654-I731 HydrophobicContact CD1-CG1 4.26Å; F654-I731 HydrophobicContact CD2-CD1 4.12Å; F654-I731 HydrophobicContact CD2-CG1 4.37Å; F654-I731 HydrophobicContact CE1-CG1 4.48Å; F654-I731 HydrophobicContact CE2-CD1 4.08Å; F654-I731 HydrophobicContact CG-CD1 4.44Å; F654-I731 HydrophobicContact CG-CG1 4.19Å; F654-I731 HydrophobicContact CZ-CD1 4.39Å |
| 655 | Q | 90.1 | Very high | 90.1 | Very high | 128 Ų | 128 | 68.6 Ų | 68.6 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | trans | -71.3 | 144.8 | 175.9 | -61 | -59.2 | -36 | 0 | 0 | 110.8 | D652 S664 | D652-Q655 WeakPolarHBondContact O-CG 3.4Å; D652-Q655 PolarHBondContact O-NE2 3.41Å; Q655-S664 VanDerWaalsContact O-CA 3.23Å; Q655-S664 WeakPolarHBondContact O-CA 3.46Å; Q655-S664 WeakPolarHBondContact O-CB 3.44Å | ||
| 656 | V | 89.6 | Confident | 90.2 | Very high | 59 Ų | 59 | 68.5 Ų | 68.5 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | trans | -66 | 142 | 170.3 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | S658 I730 | V656-S658 VanDerWaalsContact C-N 3.33Å; V656-S658 PolarHBondContact O-N 3.5Å; V656-I730 HydrophobicContact CG1-CD1 3.74Å; V656-I730 HydrophobicContact CG1-CG1 3.8Å; V656-I730 HydrophobicContact CG1-CG2 4.31Å | ||
| 657 | T | 85.2 | Confident | 90.2 | Very high | 74 Ų | 74 | 68.3 Ų | 68.3 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -68.8 | -34.1 | -176.4 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | A661 F663 | T657-A661 PolarHBondContact N-O 2.88Å; T657-F663 PolarHBondContact N-O 2.88Å; T657-F663 PolarHBondContact OG1-O 3.28Å |
| 658 | S | 86.4 | Confident | 90.2 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -161.2 | 174.7 | 173.4 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | V656 H660 A661 | V656-S658 VanDerWaalsContact C-N 3.33Å; V656-S658 PolarHBondContact O-N 3.5Å; S658-H660 PolarHBondContact O-N 3.36Å; S658-H660 PolarHBondContact OG-N 3.26Å; S658-A661 CarbonylContact O-C 3.57Å; S658-A661 PolarHBondContact O-N 3.43Å; S658-A661 VanDerWaalsContact O-O 3.1Å; S658-A661 VanDerWaalsContact OG-CB 3.31Å; S658-A661 WeakPolarHBondContact OG-CB 3.4Å; S658-A661 PolarHBondContact OG-N 2.83Å; S658-A661 VanDerWaalsContact OG-N 3.15Å |
| 659 | E | 76.8 | Confident | 90.3 | Very high | 179 Ų | 179 | 63.4 Ų | 63.4 | 84% | 0.836 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -59.9 | -26.5 | 176.2 | -65.8 | -169.1 | 160.4 | 0 | 0 | 113.8 | ||
| 660 | H | 80.4 | Confident | 90.3 | Very high | 180 Ų | 180 | 63.5 Ų | 63.5 | 83% | 0.833 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -99.3 | -14.4 | 178.7 | -60.1 | -51.9 | 0 | 0 | 0 | 113.4 | S658 | S658-H660 PolarHBondContact O-N 3.36Å; S658-H660 PolarHBondContact OG-N 3.26Å |
| 661 | A | 88.4 | Confident | 90.5 | Very high | 16 Ų | 16 | 60 Ų | 60 | 13% | 0.132 | 32% | 0.316 | C | S | . | . | trans | -108.5 | 93.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T657 S658 F663 | T657-A661 PolarHBondContact N-O 2.88Å; S658-A661 CarbonylContact O-C 3.57Å; S658-A661 PolarHBondContact O-N 3.43Å; S658-A661 VanDerWaalsContact O-O 3.1Å; S658-A661 VanDerWaalsContact OG-CB 3.31Å; S658-A661 WeakPolarHBondContact OG-CB 3.4Å; S658-A661 PolarHBondContact OG-N 2.83Å; S658-A661 VanDerWaalsContact OG-N 3.15Å; A661-F663 HydrophobicContact CB-CE1 4.01Å; A661-F663 HydrophobicContact CB-CE2 4.25Å; A661-F663 HydrophobicContact CB-CZ 3.85Å; A661-F663 PolarHBondContact O-N 2.87Å; A661-F663 VanDerWaalsContact O-N 3.07Å | ||
| 662 | L | 91.6 | Very high | 90.6 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | trans | -75.7 | 9.8 | -173.5 | -55.4 | 177.1 | 0 | 0 | 0 | 114.4 | N733 | L662-N733 WeakPolarHBondContact CB-ND2 3.09Å; L662-N733 VanDerWaalsContact O-CB 3.29Å; L662-N733 WeakPolarHBondContact O-CB 3.42Å; L662-N733 PolarHBondContact O-ND2 3.42Å | ||
| 663 | F | 93.4 | Very high | 90.8 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -112.8 | 159.9 | 176.7 | 54.3 | -98.1 | 0 | 0 | 0 | 110.3 | T657 A661 V668 N734 Q737 | T657-F663 PolarHBondContact N-O 2.88Å; T657-F663 PolarHBondContact OG1-O 3.28Å; A661-F663 HydrophobicContact CB-CE1 4.01Å; A661-F663 HydrophobicContact CB-CE2 4.25Å; A661-F663 HydrophobicContact CB-CZ 3.85Å; A661-F663 PolarHBondContact O-N 2.87Å; A661-F663 VanDerWaalsContact O-N 3.07Å; F663-V668 HydrophobicContact CD2-CG2 4.32Å; F663-V668 HydrophobicContact CE2-CG2 3.68Å; F663-N734 WeakPolarHBondContact CA-OD1 3.47Å; F663-N734 WeakPolarHBondContact CB-OD1 3.1Å; F663-Q737 HydrophobicContact CB-CB 4.11Å; F663-Q737 HydrophobicContact CB-CG 4.32Å; F663-Q737 HydrophobicContact CD1-CB 3.95Å; F663-Q737 HydrophobicContact CD1-CG 3.54Å; F663-Q737 VanDerWaalsContact CD1-OE1 3.29Å; F663-Q737 HydrophobicContact CD2-CG 4.1Å; F663-Q737 HydrophobicContact CE1-CG 3.78Å; F663-Q737 HydrophobicContact CE2-CG 4.31Å; F663-Q737 HydrophobicContact CG-CB 4.04Å; F663-Q737 HydrophobicContact CG-CG 3.72Å; F663-Q737 HydrophobicContact CZ-CG 4.16Å |
| 664 | S | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -91.1 | 172.7 | -179 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | D649 Q655 S666 N734 | D649-S664 WeakPolarHBondContact OD1-CB 3.41Å; D649-S664 PolarHBondContact OD1-OG 3.26Å; D649-S664 VanDerWaalsContact OD2-CB 3.24Å; D649-S664 WeakPolarHBondContact OD2-CB 3.44Å; D649-S664 PolarHBondContact OD2-OG 3.25Å; Q655-S664 VanDerWaalsContact O-CA 3.23Å; Q655-S664 WeakPolarHBondContact O-CA 3.46Å; Q655-S664 WeakPolarHBondContact O-CB 3.44Å; S664-S666 PolarHBondContact O-N 3Å; S664-N734 PolarHBondContact N-OD1 3.29Å; S664-N734 PolarHBondContact OG-ND2 3.33Å; S664-N734 PolarHBondContact OG-OD1 3.45Å | ||
| 665 | C | 92.8 | Very high | 91.2 | Very high | 45 Ų | 45 | 52 Ų | 52 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.4 | -30 | -168.6 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | V667 V668 D669 | C665-V667 PolarHBondContact O-N 3Å; C665-V668 WeakPolarHBondContact O-CB 3.29Å; C665-V668 PolarHBondContact O-N 2.99Å; C665-D669 PolarHBondContact O-N 3.23Å; C665-D669 VanDerWaalsContact O-N 3.08Å |
| 666 | S | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -31.6 | -176.7 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | D649 S664 V670 Y710 | D649-S666 WeakPolarHBondContact OD2-CB 3.48Å; D649-S666 PolarHBondContact OD2-N 3.08Å; D649-S666 PolarHBondContact OD2-OG 3.23Å; S664-S666 PolarHBondContact O-N 3Å; S666-V670 VanDerWaalsContact O-CG2 3.25Å; S666-V670 WeakPolarHBondContact O-CG2 3.46Å; S666-V670 PolarHBondContact O-N 2.88Å; S666-V670 VanDerWaalsContact O-N 3.07Å; S666-Y710 PolarHBondContact OG-OH 3.18Å |
| 667 | V | 94.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | C665 F671 Y710 N734 Q737 L738 | C665-V667 PolarHBondContact O-N 3Å; V667-F671 HydrophobicContact CG1-CD2 4.16Å; V667-F671 HydrophobicContact CG1-CE2 4.47Å; V667-F671 WeakPolarHBondContact O-CD2 3.41Å; V667-F671 PolarHBondContact O-N 2.88Å; V667-Y710 HydrophobicContact CG2-CE2 4.4Å; V667-Y710 WeakPolarHBondContact CG2-OH 3.32Å; V667-N734 HydrophobicContact CG2-CB 3.57Å; V667-Q737 HydrophobicContact CG1-CB 3.98Å; V667-Q737 HydrophobicContact CG1-CG 3.56Å; V667-L738 HydrophobicContact CG1-CD2 3.93Å; V667-L738 HydrophobicContact CG2-CD2 4.16Å |
| 668 | V | 93.8 | Very high | 92.1 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.4 | -44.8 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | F663 C665 V670 F671 S672 | F663-V668 HydrophobicContact CD2-CG2 4.32Å; F663-V668 HydrophobicContact CE2-CG2 3.68Å; C665-V668 WeakPolarHBondContact O-CB 3.29Å; C665-V668 PolarHBondContact O-N 2.99Å; V668-V670 PolarHBondContact O-N 3.37Å; V668-F671 PolarHBondContact O-N 3.17Å; V668-S672 VanDerWaalsContact O-CB 3.3Å; V668-S672 WeakPolarHBondContact O-CB 3.44Å; V668-S672 PolarHBondContact O-N 3.48Å |
| 669 | D | 94.6 | Very high | 92.5 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.7 | -52.2 | 177.4 | -78.8 | 6.8 | 0 | 0 | 0 | 111 | F641 A645 R648 C665 F671 S672 Q673 | F641-D669 HydrophobicContact CE1-CB 3.94Å; F641-D669 WeakPolarHBondContact CE1-O 3.48Å; F641-D669 HydrophobicContact CZ-CB 4.28Å; A645-D669 HydrophobicContact CB-CB 3.99Å; R648-D669 IonicContact NH2-OD2 2.77Å; R648-D669 PolarHBondContact NH2-OD2 3.31Å; C665-D669 PolarHBondContact O-N 3.23Å; C665-D669 VanDerWaalsContact O-N 3.08Å; D669-F671 PolarHBondContact O-N 2.79Å; D669-S672 WeakPolarHBondContact O-CB 3.29Å; D669-S672 PolarHBondContact O-N 3.08Å; D669-Q673 PolarHBondContact O-N 3.45Å |
| 670 | V | 95.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | -177.2 | 171 | 0 | 0 | 0 | 0 | 111.7 | L642 S666 V668 Q673 L674 V706 L707 Y710 | L642-V670 HydrophobicContact CB-CG2 4.34Å; L642-V670 HydrophobicContact CD1-CG2 3.56Å; S666-V670 VanDerWaalsContact O-CG2 3.25Å; S666-V670 WeakPolarHBondContact O-CG2 3.46Å; S666-V670 PolarHBondContact O-N 2.88Å; S666-V670 VanDerWaalsContact O-N 3.07Å; V668-V670 PolarHBondContact O-N 3.37Å; V670-Q673 PolarHBondContact O-N 3.09Å; V670-L674 HydrophobicContact CG1-CD1 4.17Å; V670-L674 WeakPolarHBondContact O-CG 3.32Å; V670-L674 PolarHBondContact O-N 2.91Å; V670-V706 HydrophobicContact CG1-CG1 3.8Å; V670-L707 HydrophobicContact CG1-CD2 4.32Å; V670-Y710 HydrophobicContact CG2-CD2 4.25Å |
| 671 | F | 95.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.1 | -28.3 | 178 | -85.3 | -83.8 | 0 | 0 | 0 | 113 | V667 V668 D669 N675 L707 L738 Q741 L742 M745 | V667-F671 HydrophobicContact CG1-CD2 4.16Å; V667-F671 HydrophobicContact CG1-CE2 4.47Å; V667-F671 WeakPolarHBondContact O-CD2 3.41Å; V667-F671 PolarHBondContact O-N 2.88Å; V668-F671 PolarHBondContact O-N 3.17Å; D669-F671 PolarHBondContact O-N 2.79Å; F671-N675 VanDerWaalsContact O-CB 3.28Å; F671-N675 WeakPolarHBondContact O-CB 3.45Å; F671-N675 VanDerWaalsContact O-CG 3.26Å; F671-N675 PolarHBondContact O-N 3.33Å; F671-N675 PolarHBondContact O-ND2 3.43Å; F671-L707 HydrophobicContact CE2-CD2 3.88Å; F671-L707 HydrophobicContact CZ-CD1 3.93Å; F671-L707 HydrophobicContact CZ-CD2 3.84Å; F671-L738 HydrophobicContact CD2-CD2 4.43Å; F671-L738 HydrophobicContact CE2-CB 4.36Å; F671-L738 HydrophobicContact CE2-CD2 3.71Å; F671-L738 WeakPolarHBondContact CZ-O 3.4Å; F671-Q741 HydrophobicContact CD1-CB 3.56Å; F671-Q741 HydrophobicContact CD2-CB 3.75Å; F671-Q741 HydrophobicContact CD2-CG 4.24Å; F671-Q741 VanDerWaalsContact CE1-C 3.49Å; F671-Q741 HydrophobicContact CE1-CB 3.42Å; F671-Q741 VanDerWaalsContact CE1-CB 3.42Å; F671-Q741 HydrophobicContact CE2-CB 3.62Å; F671-Q741 HydrophobicContact CE2-CG 4.42Å; F671-Q741 HydrophobicContact CG-CB 3.72Å; F671-Q741 HydrophobicContact CG-CG 4.3Å; F671-Q741 HydrophobicContact CZ-CB 3.45Å; F671-Q741 VanDerWaalsContact CZ-CB 3.45Å; F671-L742 HydrophobicContact CZ-CB 4.4Å; F671-M745 HydrophobicContact CD1-SD 4.47Å; F671-M745 HydrophobicContact CE1-SD 4.37Å |
| 672 | S | 94.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 38% | 0.378 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 171.2 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | V668 D669 N675 Q676 | V668-S672 VanDerWaalsContact O-CB 3.3Å; V668-S672 WeakPolarHBondContact O-CB 3.44Å; V668-S672 PolarHBondContact O-N 3.48Å; D669-S672 WeakPolarHBondContact O-CB 3.29Å; D669-S672 PolarHBondContact O-N 3.08Å; S672-N675 PolarHBondContact O-N 2.82Å; S672-Q676 VanDerWaalsContact O-CG 3.29Å; S672-Q676 WeakPolarHBondContact O-CG 3.35Å; S672-Q676 PolarHBondContact O-N 2.86Å; S672-Q676 PolarHBondContact OG-NE2 3.11Å |
| 673 | Q | 94.4 | Very high | 94.2 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 176.2 | 175.5 | 58.9 | 17.7 | 0 | 0 | 112 | F641 D669 V670 N675 Q676 S677 | F641-Q673 HydrophobicContact CB-CG 4.48Å; F641-Q673 HydrophobicContact CD1-CB 3.8Å; F641-Q673 HydrophobicContact CD1-CG 4.04Å; F641-Q673 HydrophobicContact CE1-CB 3.88Å; F641-Q673 HydrophobicContact CG-CB 4.43Å; F641-Q673 HydrophobicContact CG-CG 4.25Å; D669-Q673 PolarHBondContact O-N 3.45Å; V670-Q673 PolarHBondContact O-N 3.09Å; Q673-N675 VanDerWaalsContact C-N 3.33Å; Q673-N675 PolarHBondContact O-N 3.5Å; Q673-Q676 PolarHBondContact O-N 3.08Å; Q673-S677 PolarHBondContact O-N 3.24Å; Q673-S677 PolarHBondContact O-OG 3.39Å |
| 674 | L | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 178.9 | -70.5 | 175.8 | 0 | 0 | 0 | 112.3 | V670 S677 F678 F699 I703 V706 L707 M745 | V670-L674 HydrophobicContact CG1-CD1 4.17Å; V670-L674 WeakPolarHBondContact O-CG 3.32Å; V670-L674 PolarHBondContact O-N 2.91Å; L674-S677 PolarHBondContact O-N 3.05Å; L674-F678 PolarHBondContact O-N 2.95Å; L674-F699 WeakPolarHBondContact O-CZ 3.38Å; L674-I703 HydrophobicContact CD2-CG1 4.5Å; L674-V706 HydrophobicContact CD1-CG1 4.33Å; L674-V706 HydrophobicContact CD2-CG1 4.46Å; L674-V706 HydrophobicContact CD2-CG2 4.4Å; L674-L707 HydrophobicContact CD1-CD2 4.33Å; L674-M745 HydrophobicContact CB-CE 3.78Å; L674-M745 HydrophobicContact CB-SD 4.22Å |
| 675 | N | 94.1 | Very high | 94 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 175.9 | -77 | -49.4 | 0 | 0 | 0 | 111.9 | F671 S672 Q673 S677 F678 E679 | F671-N675 VanDerWaalsContact O-CB 3.28Å; F671-N675 WeakPolarHBondContact O-CB 3.45Å; F671-N675 VanDerWaalsContact O-CG 3.26Å; F671-N675 PolarHBondContact O-N 3.33Å; F671-N675 PolarHBondContact O-ND2 3.43Å; S672-N675 PolarHBondContact O-N 2.82Å; Q673-N675 VanDerWaalsContact C-N 3.33Å; Q673-N675 PolarHBondContact O-N 3.5Å; N675-S677 VanDerWaalsContact C-N 3.34Å; N675-S677 PolarHBondContact O-N 3.08Å; N675-F678 PolarHBondContact O-N 2.85Å; N675-E679 VanDerWaalsContact O-CG 3.32Å; N675-E679 WeakPolarHBondContact O-CG 3.43Å; N675-E679 PolarHBondContact O-N 3.42Å |
| 676 | Q | 94.5 | Very high | 93.9 | Very high | 110 Ų | 110 | 44.9 Ų | 44.9 | 51% | 0.514 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 174.6 | -72.6 | 172.7 | 44.5 | 0 | 0 | 111.7 | S672 Q673 E679 I680 | S672-Q676 VanDerWaalsContact O-CG 3.29Å; S672-Q676 WeakPolarHBondContact O-CG 3.35Å; S672-Q676 PolarHBondContact O-N 2.86Å; S672-Q676 PolarHBondContact OG-NE2 3.11Å; Q673-Q676 PolarHBondContact O-N 3.08Å; Q676-E679 PolarHBondContact O-N 2.88Å; Q676-I680 PolarHBondContact O-N 2.96Å |
| 677 | S | 94.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.2 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | N634 Q673 L674 N675 E679 I680 | N634-S677 VanDerWaalsContact CG-OG 3.3Å; N634-S677 WeakPolarHBondContact ND2-CB 3.48Å; N634-S677 PolarHBondContact ND2-OG 3.24Å; N634-S677 VanDerWaalsContact ND2-OG 3.1Å; N634-S677 WeakPolarHBondContact OD1-CB 3.41Å; N634-S677 PolarHBondContact OD1-OG 3.26Å; Q673-S677 PolarHBondContact O-N 3.24Å; Q673-S677 PolarHBondContact O-OG 3.39Å; L674-S677 PolarHBondContact O-N 3.05Å; N675-S677 VanDerWaalsContact C-N 3.34Å; N675-S677 PolarHBondContact O-N 3.08Å; S677-E679 PolarHBondContact O-N 3.21Å; S677-I680 PolarHBondContact O-N 3.17Å |
| 678 | F | 94.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 177.5 | 178.4 | -117.5 | 0 | 0 | 0 | 112.5 | L674 N675 I680 I681 R682 M696 F699 M745 A748 M749 | L674-F678 PolarHBondContact O-N 2.95Å; N675-F678 PolarHBondContact O-N 2.85Å; F678-I680 PolarHBondContact O-N 3.07Å; F678-I681 PolarHBondContact O-N 3.09Å; F678-I681 VanDerWaalsContact O-N 3.11Å; F678-R682 PolarHBondContact O-N 3.25Å; F678-M696 HydrophobicContact CE2-CE 4.08Å; F678-M696 HydrophobicContact CE2-SD 3.96Å; F678-F699 HydrophobicContact CB-CE1 3.63Å; F678-F699 HydrophobicContact CB-CZ 3.77Å; F678-F699 HydrophobicContact CD2-CD1 4.13Å; F678-F699 AromaticContact CD2-CE1 3.78Å; F678-F699 HydrophobicContact CD2-CE1 3.78Å; F678-F699 HydrophobicContact CG-CE1 4.07Å; F678-M745 HydrophobicContact CB-CE 4.1Å; F678-A748 HydrophobicContact CE1-CB 4.17Å; F678-A748 WeakPolarHBondContact CZ-O 3.33Å; F678-M749 HydrophobicContact CD2-CG 4.05Å; F678-M749 HydrophobicContact CE2-CB 4.34Å; F678-M749 HydrophobicContact CE2-CG 3.61Å; F678-M749 HydrophobicContact CZ-CB 4.46Å; F678-M749 HydrophobicContact CZ-CG 3.97Å |
| 679 | E | 94.5 | Very high | 93.5 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -32.5 | 178.8 | -78.1 | -61 | 148.3 | 0 | 0 | 112.9 | N675 Q676 S677 R682 K683 | N675-E679 VanDerWaalsContact O-CG 3.32Å; N675-E679 WeakPolarHBondContact O-CG 3.43Å; N675-E679 PolarHBondContact O-N 3.42Å; Q676-E679 PolarHBondContact O-N 2.88Å; S677-E679 PolarHBondContact O-N 3.21Å; E679-R682 VanDerWaalsContact CD-CZ 3.49Å; E679-R682 PolarHBondContact O-N 3.38Å; E679-R682 IonicContact OE1-CZ 3.06Å; E679-R682 IonicContact OE1-NE 3.86Å; E679-R682 PolarHBondContact OE1-NE 3.08Å; E679-R682 IonicContact OE1-NH1 2.65Å; E679-R682 IonicContact OE1-NH2 2.81Å; E679-R682 PolarHBondContact OE1-NH2 3.33Å; E679-R682 IonicContact OE2-CZ 2.97Å; E679-R682 IonicContact OE2-NE 2.99Å; E679-R682 PolarHBondContact OE2-NE 2.94Å; E679-R682 IonicContact OE2-NH2 3.18Å; E679-R682 PolarHBondContact OE2-NH2 3.43Å; E679-K683 WeakPolarHBondContact O-CB 3.43Å; E679-K683 VanDerWaalsContact O-CG 3.25Å; E679-K683 WeakPolarHBondContact O-CG 3.39Å; E679-K683 PolarHBondContact O-N 2.95Å |
| 680 | I | 94.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 175 | -65.6 | 169.9 | 0 | 0 | 0 | 110.3 | M592 W630 Q676 S677 F678 R682 K683 L684 | M592-I680 HydrophobicContact CE-CG2 3.48Å; M592-I680 VanDerWaalsContact CE-CG2 3.48Å; W630-I680 HydrophobicContact CH2-CB 3.87Å; W630-I680 HydrophobicContact CH2-CD1 3.71Å; W630-I680 HydrophobicContact CH2-CG1 4.38Å; W630-I680 HydrophobicContact CH2-CG2 3.84Å; W630-I680 HydrophobicContact CZ2-CB 4.32Å; W630-I680 HydrophobicContact CZ2-CD1 3.5Å; W630-I680 HydrophobicContact CZ2-CG2 4.01Å; W630-I680 HydrophobicContact CZ3-CG2 4.3Å; Q676-I680 PolarHBondContact O-N 2.96Å; S677-I680 PolarHBondContact O-N 3.17Å; F678-I680 PolarHBondContact O-N 3.07Å; I680-R682 VanDerWaalsContact C-N 3.33Å; I680-R682 PolarHBondContact O-N 2.84Å; I680-K683 PolarHBondContact O-N 3.11Å; I680-L684 PolarHBondContact O-N 3.23Å |
| 681 | I | 93.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.8 | -50.9 | 170.1 | 0 | 0 | 0 | 110.1 | W630 L631 F678 K683 L684 Y695 M696 F699 | W630-I681 HydrophobicContact CZ3-CG1 4.3Å; L631-I681 HydrophobicContact CD2-CD1 3.51Å; L631-I681 HydrophobicContact CD2-CG1 4.06Å; F678-I681 PolarHBondContact O-N 3.09Å; F678-I681 VanDerWaalsContact O-N 3.11Å; I681-K683 VanDerWaalsContact C-N 3.34Å; I681-K683 PolarHBondContact O-N 2.79Å; I681-L684 VanDerWaalsContact O-CB 3.31Å; I681-L684 WeakPolarHBondContact O-CB 3.45Å; I681-L684 PolarHBondContact O-N 3.14Å; I681-L684 VanDerWaalsContact O-N 3.16Å; I681-Y695 HydrophobicContact CG2-CD2 4.13Å; I681-M696 HydrophobicContact CB-CE 4.46Å; I681-M696 HydrophobicContact CG2-CE 3.56Å; I681-F699 HydrophobicContact CD1-CB 4.01Å; I681-F699 HydrophobicContact CD1-CD1 4.17Å; I681-F699 HydrophobicContact CD1-CD2 3.9Å; I681-F699 HydrophobicContact CD1-CE2 4.42Å; I681-F699 HydrophobicContact CD1-CG 3.76Å |
| 682 | R | 91.6 | Very high | 93.1 | Very high | 145 Ų | 145 | 56.9 Ų | 56.9 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 179.6 | -169.1 | 175.6 | 73.9 | 154.5 | 2.7 | 112 | F678 E679 I680 L684 E685 | F678-R682 PolarHBondContact O-N 3.25Å; E679-R682 VanDerWaalsContact CD-CZ 3.49Å; E679-R682 PolarHBondContact O-N 3.38Å; E679-R682 IonicContact OE1-CZ 3.06Å; E679-R682 IonicContact OE1-NE 3.86Å; E679-R682 PolarHBondContact OE1-NE 3.08Å; E679-R682 IonicContact OE1-NH1 2.65Å; E679-R682 IonicContact OE1-NH2 2.81Å; E679-R682 PolarHBondContact OE1-NH2 3.33Å; E679-R682 IonicContact OE2-CZ 2.97Å; E679-R682 IonicContact OE2-NE 2.99Å; E679-R682 PolarHBondContact OE2-NE 2.94Å; E679-R682 IonicContact OE2-NH2 3.18Å; E679-R682 PolarHBondContact OE2-NH2 3.43Å; I680-R682 VanDerWaalsContact C-N 3.33Å; I680-R682 PolarHBondContact O-N 2.84Å; R682-L684 PolarHBondContact O-N 3.3Å; R682-E685 PolarHBondContact O-N 2.93Å |
| 683 | K | 93.9 | Very high | 93 | Very high | 125 Ų | 125 | 54.7 Ų | 54.7 | 54% | 0.543 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.5 | -20.9 | 178.5 | -76.3 | 175.5 | -180 | -179.9 | 0 | 113.5 | F596 K599 E679 I680 I681 E685 | F596-K683 HydrophobicContact CE1-CB 3.8Å; F596-K683 WeakPolarHBondContact CE1-O 3.25Å; F596-K683 HydrophobicContact CZ-CB 4.03Å; K599-K683 PolarHBondContact NZ-O 3.35Å; E679-K683 WeakPolarHBondContact O-CB 3.43Å; E679-K683 VanDerWaalsContact O-CG 3.25Å; E679-K683 WeakPolarHBondContact O-CG 3.39Å; E679-K683 PolarHBondContact O-N 2.95Å; I680-K683 PolarHBondContact O-N 3.11Å; I681-K683 VanDerWaalsContact C-N 3.34Å; I681-K683 PolarHBondContact O-N 2.79Å; K683-E685 PolarHBondContact O-N 2.97Å |
| 684 | L | 91.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -28.2 | 172 | -65.5 | 173.8 | 0 | 0 | 0 | 111.1 | M592 F596 K599 V627 I680 I681 R682 C686 Y695 | M592-L684 HydrophobicContact CE-CD1 4.07Å; M592-L684 HydrophobicContact CE-CD2 4.17Å; M592-L684 HydrophobicContact CE-CG 4.39Å; F596-L684 HydrophobicContact CD1-CD2 4.24Å; F596-L684 HydrophobicContact CD2-CD2 4.17Å; F596-L684 HydrophobicContact CE1-CD2 3.86Å; F596-L684 HydrophobicContact CE1-CG 4.44Å; F596-L684 HydrophobicContact CE2-CD2 3.76Å; F596-L684 HydrophobicContact CG-CD2 4.38Å; F596-L684 HydrophobicContact CZ-CD2 3.58Å; F596-L684 HydrophobicContact CZ-CG 4.11Å; K599-L684 WeakPolarHBondContact CD-O 3.48Å; K599-L684 WeakPolarHBondContact CE-O 3.45Å; V627-L684 HydrophobicContact CG1-CD1 4.19Å; V627-L684 HydrophobicContact CG2-CD1 4.13Å; I680-L684 PolarHBondContact O-N 3.23Å; I681-L684 VanDerWaalsContact O-CB 3.31Å; I681-L684 WeakPolarHBondContact O-CB 3.45Å; I681-L684 PolarHBondContact O-N 3.14Å; I681-L684 VanDerWaalsContact O-N 3.16Å; R682-L684 PolarHBondContact O-N 3.3Å; L684-C686 PolarHBondContact O-N 2.87Å; L684-Y695 HydrophobicContact CD1-CE2 4.32Å |
| 685 | E | 91.9 | Very high | 92.9 | Very high | 127 Ų | 127 | 56.1 Ų | 56.1 | 59% | 0.593 | 28% | 0.281 | S | S | * | . | trans | 43.5 | 48.9 | -177.3 | -56.7 | 167.7 | 176.3 | 0 | 0 | 111 | K599 R682 K683 P687 | K599-E685 VanDerWaalsContact CE-OE2 3.25Å; K599-E685 WeakPolarHBondContact CE-OE2 3.31Å; K599-E685 IonicContact NZ-OE1 3.06Å; K599-E685 IonicContact NZ-OE2 2.76Å; K599-E685 PolarHBondContact NZ-OE2 3.19Å; R682-E685 PolarHBondContact O-N 2.93Å; K683-E685 PolarHBondContact O-N 2.97Å; E685-P687 WeakPolarHBondContact O-CD 3.45Å | ||
| 686 | C | 90.8 | Very high | 92.9 | Very high | 19 Ų | 19 | 53.8 Ų | 53.8 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | trans | -59.7 | 123 | -176.1 | 175.8 | 0 | 0 | 0 | 0 | 109.4 | P620 L684 D688 V692 Y695 | P620-C686 WeakPolarHBondContact CB-SG 3.48Å; L684-C686 PolarHBondContact O-N 2.87Å; C686-D688 VanDerWaalsContact C-N 3.28Å; C686-D688 PolarHBondContact O-N 3.39Å; C686-V692 HydrophobicContact CB-CG2 3.54Å; C686-V692 WeakPolarHBondContact O-CG2 3.48Å; C686-Y695 HydrophobicContact CB-CE2 4.34Å | ||
| 687 | P | 91.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -76.8 | -14 | -176.2 | 30.6 | -36.2 | 0 | 0 | 0 | 113.3 | P617 Y619 P620 E685 P689 | P617-P687 HydrophobicContact CB-CG 4.04Å; P617-P687 HydrophobicContact CG-CB 4.02Å; P617-P687 HydrophobicContact CG-CG 3.64Å; Y619-P687 HydrophobicContact CE1-CG 4.31Å; Y619-P687 WeakPolarHBondContact OH-CD 3.27Å; P620-P687 HydrophobicContact CG-CG 3.83Å; E685-P687 WeakPolarHBondContact O-CD 3.45Å; P687-P689 WeakPolarHBondContact O-CD 3.45Å |
| 688 | D | 92.2 | Very high | 92.9 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 17% | 0.171 | 26% | 0.264 | C | S | . | . | trans | -91.2 | 112.5 | 179.6 | -171 | -29.3 | 0 | 0 | 0 | 111 | V616 C686 E690 I691 V692 | V616-D688 HydrophobicContact CG1-CB 3.77Å; C686-D688 VanDerWaalsContact C-N 3.28Å; C686-D688 PolarHBondContact O-N 3.39Å; D688-E690 VanDerWaalsContact C-N 3.28Å; D688-E690 PolarHBondContact O-N 3.37Å; D688-E690 WeakPolarHBondContact OD1-CB 3.21Å; D688-E690 PolarHBondContact OD1-N 3.39Å; D688-I691 HydrophobicContact CB-CB 4.14Å; D688-I691 HydrophobicContact CB-CD1 3.94Å; D688-I691 HydrophobicContact CB-CG1 4.13Å; D688-I691 PolarHBondContact O-N 2.93Å; D688-V692 VanDerWaalsContact O-CG2 3.31Å; D688-V692 WeakPolarHBondContact O-CG2 3.17Å; D688-V692 PolarHBondContact O-N 3.15Å | ||
| 689 | P | 90 | Very high | 93 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67 | -26.5 | -177.5 | 28.7 | -35.2 | 0 | 0 | 0 | 113.5 | P687 G693 | P687-P689 WeakPolarHBondContact O-CD 3.45Å; P689-G693 PolarHBondContact O-N 3.25Å |
| 690 | E | 91.3 | Very high | 93.1 | Very high | 146 Ų | 146 | 50.4 Ų | 50.4 | 68% | 0.682 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70.7 | -47.9 | 178.8 | -172.3 | 172.8 | 177 | 0 | 0 | 110.2 | D688 V692 G693 N694 | D688-E690 VanDerWaalsContact C-N 3.28Å; D688-E690 PolarHBondContact O-N 3.37Å; D688-E690 WeakPolarHBondContact OD1-CB 3.21Å; D688-E690 PolarHBondContact OD1-N 3.39Å; E690-V692 PolarHBondContact O-N 3.48Å; E690-G693 WeakPolarHBondContact O-CA 3.46Å; E690-G693 PolarHBondContact O-N 3.48Å; E690-G693 VanDerWaalsContact O-N 3.08Å; E690-N694 PolarHBondContact O-N 3.37Å |
| 691 | I | 94 | Very high | 93.1 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.8 | -63 | 175.9 | 0 | 0 | 0 | 110.9 | P620 A621 E624 D688 G693 N694 Y695 | P620-I691 HydrophobicContact CB-CD1 4.01Å; A621-I691 HydrophobicContact CB-CD1 3.84Å; E624-I691 HydrophobicContact CB-CG2 4.15Å; E624-I691 HydrophobicContact CG-CG2 4.28Å; D688-I691 HydrophobicContact CB-CB 4.14Å; D688-I691 HydrophobicContact CB-CD1 3.94Å; D688-I691 HydrophobicContact CB-CG1 4.13Å; D688-I691 PolarHBondContact O-N 2.93Å; I691-G693 VanDerWaalsContact C-N 3.26Å; I691-G693 PolarHBondContact O-N 3.25Å; I691-N694 WeakPolarHBondContact O-CB 3.09Å; I691-N694 PolarHBondContact O-N 3.05Å; I691-N694 VanDerWaalsContact O-N 3.11Å; I691-Y695 HydrophobicContact CG2-CD1 4.34Å; I691-Y695 HydrophobicContact CG2-CD2 4.42Å; I691-Y695 HydrophobicContact CG2-CE1 3.63Å; I691-Y695 HydrophobicContact CG2-CE2 3.74Å; I691-Y695 VanDerWaalsContact CG2-OH 3.26Å; I691-Y695 WeakPolarHBondContact CG2-OH 3.44Å; I691-Y695 PolarHBondContact O-N 3.46Å |
| 692 | V | 92.7 | Very high | 93.2 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 172.2 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | C686 D688 E690 N694 Y695 M696 | C686-V692 HydrophobicContact CB-CG2 3.54Å; C686-V692 WeakPolarHBondContact O-CG2 3.48Å; D688-V692 VanDerWaalsContact O-CG2 3.31Å; D688-V692 WeakPolarHBondContact O-CG2 3.17Å; D688-V692 PolarHBondContact O-N 3.15Å; E690-V692 PolarHBondContact O-N 3.48Å; V692-N694 VanDerWaalsContact C-N 3.3Å; V692-N694 PolarHBondContact O-N 2.67Å; V692-Y695 PolarHBondContact O-N 3.15Å; V692-M696 HydrophobicContact CG1-CE 4.49Å; V692-M696 HydrophobicContact CG1-CG 4.26Å; V692-M696 VanDerWaalsContact O-CG 3.31Å; V692-M696 WeakPolarHBondContact O-CG 3.47Å; V692-M696 PolarHBondContact O-N 3.3Å |
| 693 | G | 91.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P689 E690 I691 M696 K697 | P689-G693 PolarHBondContact O-N 3.25Å; E690-G693 WeakPolarHBondContact O-CA 3.46Å; E690-G693 PolarHBondContact O-N 3.48Å; E690-G693 VanDerWaalsContact O-N 3.08Å; I691-G693 VanDerWaalsContact C-N 3.26Å; I691-G693 PolarHBondContact O-N 3.25Å; G693-M696 PolarHBondContact O-N 2.89Å; G693-K697 WeakPolarHBondContact O-CB 3.46Å; G693-K697 PolarHBondContact O-N 3.1Å |
| 694 | N | 93.3 | Very high | 93.5 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 176.6 | -69.2 | -21.2 | 0 | 0 | 0 | 112.4 | E624 E690 I691 V692 M696 K697 R698 | E624-N694 WeakPolarHBondContact OE1-CB 3.48Å; E624-N694 PolarHBondContact OE1-ND2 3.26Å; E690-N694 PolarHBondContact O-N 3.37Å; I691-N694 WeakPolarHBondContact O-CB 3.09Å; I691-N694 PolarHBondContact O-N 3.05Å; I691-N694 VanDerWaalsContact O-N 3.11Å; V692-N694 VanDerWaalsContact C-N 3.3Å; V692-N694 PolarHBondContact O-N 2.67Å; N694-M696 PolarHBondContact O-N 3.23Å; N694-K697 PolarHBondContact O-N 2.69Å; N694-R698 PolarHBondContact O-N 3.11Å |
| 695 | Y | 94.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | 174.5 | -61.2 | -16.1 | 0 | 0 | 0 | 111.3 | E624 V627 I681 L684 C686 I691 V692 K697 R698 F699 | E624-Y695 HydrophobicContact CB-CE1 4.25Å; E624-Y695 HydrophobicContact CG-CE1 4.01Å; V627-Y695 HydrophobicContact CB-CD1 4.37Å; V627-Y695 HydrophobicContact CB-CE1 3.7Å; V627-Y695 HydrophobicContact CG1-CD1 3.86Å; V627-Y695 HydrophobicContact CG1-CD2 4.24Å; V627-Y695 HydrophobicContact CG1-CE1 3.65Å; V627-Y695 HydrophobicContact CG1-CE2 4.04Å; V627-Y695 HydrophobicContact CG1-CG 4.17Å; V627-Y695 HydrophobicContact CG2-CE1 4.33Å; V627-Y695 HydrophobicContact CG2-CE2 4.5Å; I681-Y695 HydrophobicContact CG2-CD2 4.13Å; L684-Y695 HydrophobicContact CD1-CE2 4.32Å; C686-Y695 HydrophobicContact CB-CE2 4.34Å; I691-Y695 HydrophobicContact CG2-CD1 4.34Å; I691-Y695 HydrophobicContact CG2-CD2 4.42Å; I691-Y695 HydrophobicContact CG2-CE1 3.63Å; I691-Y695 HydrophobicContact CG2-CE2 3.74Å; I691-Y695 VanDerWaalsContact CG2-OH 3.26Å; I691-Y695 WeakPolarHBondContact CG2-OH 3.44Å; I691-Y695 PolarHBondContact O-N 3.46Å; V692-Y695 PolarHBondContact O-N 3.15Å; Y695-K697 PolarHBondContact O-N 3.4Å; Y695-R698 PolarHBondContact O-N 3.03Å; Y695-F699 VanDerWaalsContact O-CB 3.29Å; Y695-F699 WeakPolarHBondContact O-CB 3.48Å; Y695-F699 PolarHBondContact O-N 3.37Å |
| 696 | M | 94.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 178.6 | -68.1 | -52.9 | 121.5 | 0 | 0 | 112.2 | F678 I681 V692 G693 N694 F699 A700 M749 L754 | F678-M696 HydrophobicContact CE2-CE 4.08Å; F678-M696 HydrophobicContact CE2-SD 3.96Å; I681-M696 HydrophobicContact CB-CE 4.46Å; I681-M696 HydrophobicContact CG2-CE 3.56Å; V692-M696 HydrophobicContact CG1-CE 4.49Å; V692-M696 HydrophobicContact CG1-CG 4.26Å; V692-M696 VanDerWaalsContact O-CG 3.31Å; V692-M696 WeakPolarHBondContact O-CG 3.47Å; V692-M696 PolarHBondContact O-N 3.3Å; G693-M696 PolarHBondContact O-N 2.89Å; N694-M696 PolarHBondContact O-N 3.23Å; M696-F699 PolarHBondContact O-N 3.06Å; M696-A700 VanDerWaalsContact O-CB 3.25Å; M696-A700 WeakPolarHBondContact O-CB 3.41Å; M696-A700 PolarHBondContact O-N 3.38Å; M696-M749 HydrophobicContact CB-CE 4.25Å; M696-M749 HydrophobicContact SD-CB 4.3Å; M696-M749 HydrophobicContact SD-CE 3.73Å; M696-M749 HydrophobicContact SD-CG 4.3Å; M696-L754 HydrophobicContact CB-CD1 3.73Å; M696-L754 HydrophobicContact CG-CD1 3.85Å |
| 697 | K | 93.9 | Very high | 94.1 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 29% | 0.291 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.5 | 175.7 | 177 | 168.9 | 175 | 0 | 111.8 | G693 N694 Y695 K701 E757 A758 | G693-K697 WeakPolarHBondContact O-CB 3.46Å; G693-K697 PolarHBondContact O-N 3.1Å; N694-K697 PolarHBondContact O-N 2.69Å; Y695-K697 PolarHBondContact O-N 3.4Å; K697-K701 PolarHBondContact O-N 3.46Å; K697-E757 WeakPolarHBondContact CD-OE2 3.44Å; K697-E757 WeakPolarHBondContact CE-OE2 3.44Å; K697-E757 IonicContact NZ-OE1 3.86Å; K697-E757 IonicContact NZ-OE2 3.01Å; K697-E757 PolarHBondContact NZ-OE2 3.27Å; K697-A758 HydrophobicContact CB-CB 4.48Å |
| 698 | R | 95.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 35 Ų | 35 | 15% | 0.151 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 177.1 | 177.5 | 61.3 | -169.2 | 97.2 | -10.5 | 111.9 | L631 D632 E635 N694 Y695 K701 T702 | L631-R698 HydrophobicContact CB-CG 3.86Å; L631-R698 HydrophobicContact CD1-CB 4.02Å; L631-R698 HydrophobicContact CD1-CG 3.81Å; L631-R698 HydrophobicContact CG-CG 4.48Å; D632-R698 IonicContact OD1-CZ 3.32Å; D632-R698 IonicContact OD1-NE 2.65Å; D632-R698 PolarHBondContact OD1-NE 3.02Å; D632-R698 IonicContact OD1-NH2 2.89Å; D632-R698 PolarHBondContact OD1-NH2 3.17Å; E635-R698 IonicContact OE2-CZ 3.53Å; E635-R698 VanDerWaalsContact OE2-CZ 3.23Å; E635-R698 IonicContact OE2-NH1 3.48Å; E635-R698 PolarHBondContact OE2-NH1 3.42Å; E635-R698 IonicContact OE2-NH2 3.42Å; E635-R698 PolarHBondContact OE2-NH2 3.48Å; N694-R698 PolarHBondContact O-N 3.11Å; Y695-R698 PolarHBondContact O-N 3.03Å; R698-K701 WeakPolarHBondContact O-CB 3.48Å; R698-K701 PolarHBondContact O-N 3.01Å; R698-T702 PolarHBondContact NH1-OG1 3.29Å; R698-T702 PolarHBondContact O-N 3.26Å; R698-T702 PolarHBondContact O-OG1 3.35Å |
| 699 | F | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.8 | -34.3 | -179.2 | -171.9 | -118.8 | 0 | 0 | 0 | 112.6 | L631 L674 F678 I681 Y695 M696 K701 T702 I703 M745 M749 | L631-F699 HydrophobicContact CD2-CD2 4.08Å; L674-F699 WeakPolarHBondContact O-CZ 3.38Å; F678-F699 HydrophobicContact CB-CE1 3.63Å; F678-F699 HydrophobicContact CB-CZ 3.77Å; F678-F699 HydrophobicContact CD2-CD1 4.13Å; F678-F699 AromaticContact CD2-CE1 3.78Å; F678-F699 HydrophobicContact CD2-CE1 3.78Å; F678-F699 HydrophobicContact CG-CE1 4.07Å; I681-F699 HydrophobicContact CD1-CB 4.01Å; I681-F699 HydrophobicContact CD1-CD1 4.17Å; I681-F699 HydrophobicContact CD1-CD2 3.9Å; I681-F699 HydrophobicContact CD1-CE2 4.42Å; I681-F699 HydrophobicContact CD1-CG 3.76Å; Y695-F699 VanDerWaalsContact O-CB 3.29Å; Y695-F699 WeakPolarHBondContact O-CB 3.48Å; Y695-F699 PolarHBondContact O-N 3.37Å; M696-F699 PolarHBondContact O-N 3.06Å; F699-K701 VanDerWaalsContact C-N 3.25Å; F699-K701 PolarHBondContact O-N 3.18Å; F699-T702 WeakPolarHBondContact O-CA 3.49Å; F699-T702 VanDerWaalsContact O-CB 3.29Å; F699-T702 WeakPolarHBondContact O-CB 3.49Å; F699-T702 PolarHBondContact O-N 2.96Å; F699-I703 HydrophobicContact CD1-CD1 3.87Å; F699-I703 HydrophobicContact CD1-CG1 4.41Å; F699-I703 HydrophobicContact CE1-CD1 3.73Å; F699-I703 HydrophobicContact CE1-CG1 4.16Å; F699-I703 HydrophobicContact CZ-CD1 4.36Å; F699-I703 HydrophobicContact CZ-CG1 4.31Å; F699-I703 WeakPolarHBondContact O-CG1 3.37Å; F699-I703 PolarHBondContact O-N 3.24Å; F699-M745 HydrophobicContact CE1-CE 3.42Å; F699-M745 VanDerWaalsContact CE1-CE 3.42Å; F699-M745 HydrophobicContact CZ-CE 3.57Å; F699-M749 HydrophobicContact CD1-CE 3.94Å; F699-M749 HydrophobicContact CD1-SD 4.17Å; F699-M749 HydrophobicContact CE1-SD 4.42Å |
| 700 | A | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.4 | -39.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M696 I703 G704 A758 F761 L762 | M696-A700 VanDerWaalsContact O-CB 3.25Å; M696-A700 WeakPolarHBondContact O-CB 3.41Å; M696-A700 PolarHBondContact O-N 3.38Å; A700-I703 PolarHBondContact O-N 3.42Å; A700-G704 PolarHBondContact O-N 2.99Å; A700-A758 HydrophobicContact CB-CB 4.14Å; A700-F761 HydrophobicContact CB-CD1 4.2Å; A700-F761 VanDerWaalsContact O-CE1 3.23Å; A700-F761 WeakPolarHBondContact O-CE1 3.46Å; A700-L762 HydrophobicContact CB-CD1 4.27Å; A700-L762 HydrophobicContact CB-CD2 3.98Å; A700-L762 HydrophobicContact CB-CG 3.99Å |
| 701 | K | 94.9 | Very high | 95 | Very high | 98 Ų | 98 | 23.8 Ų | 23.8 | 43% | 0.426 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.8 | -42 | 172.8 | -66 | 177.2 | 179.5 | -178.9 | 0 | 112.2 | K697 R698 F699 I703 G704 N705 F761 | K697-K701 PolarHBondContact O-N 3.46Å; R698-K701 WeakPolarHBondContact O-CB 3.48Å; R698-K701 PolarHBondContact O-N 3.01Å; F699-K701 VanDerWaalsContact C-N 3.25Å; F699-K701 PolarHBondContact O-N 3.18Å; K701-I703 PolarHBondContact O-N 3.47Å; K701-G704 PolarHBondContact O-N 3.34Å; K701-N705 WeakPolarHBondContact O-CB 3.41Å; K701-N705 VanDerWaalsContact O-CG 3.31Å; K701-N705 PolarHBondContact O-N 2.65Å; K701-F761 HydrophobicContact CG-CZ 4.42Å |
| 702 | T | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.1 | -49.5 | 174.4 | -56 | 0 | 0 | 0 | 0 | 111.2 | E635 R698 F699 G704 N705 V706 | E635-T702 HydrophobicContact CB-CG2 3.71Å; E635-T702 HydrophobicContact CG-CG2 3.98Å; R698-T702 PolarHBondContact NH1-OG1 3.29Å; R698-T702 PolarHBondContact O-N 3.26Å; R698-T702 PolarHBondContact O-OG1 3.35Å; F699-T702 WeakPolarHBondContact O-CA 3.49Å; F699-T702 VanDerWaalsContact O-CB 3.29Å; F699-T702 WeakPolarHBondContact O-CB 3.49Å; F699-T702 PolarHBondContact O-N 2.96Å; T702-G704 VanDerWaalsContact C-N 3.33Å; T702-G704 PolarHBondContact O-N 2.63Å; T702-N705 PolarHBondContact O-N 2.89Å; T702-V706 VanDerWaalsContact O-CG2 3.3Å; T702-V706 WeakPolarHBondContact O-CG2 3.36Å; T702-V706 PolarHBondContact O-N 2.98Å |
| 703 | I | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 175.9 | -63.8 | 164.6 | 0 | 0 | 0 | 110.2 | L674 F699 A700 K701 N705 V706 L707 L742 M745 M749 L762 L765 | L674-I703 HydrophobicContact CD2-CG1 4.5Å; F699-I703 HydrophobicContact CD1-CD1 3.87Å; F699-I703 HydrophobicContact CD1-CG1 4.41Å; F699-I703 HydrophobicContact CE1-CD1 3.73Å; F699-I703 HydrophobicContact CE1-CG1 4.16Å; F699-I703 HydrophobicContact CZ-CD1 4.36Å; F699-I703 HydrophobicContact CZ-CG1 4.31Å; F699-I703 WeakPolarHBondContact O-CG1 3.37Å; F699-I703 PolarHBondContact O-N 3.24Å; A700-I703 PolarHBondContact O-N 3.42Å; K701-I703 PolarHBondContact O-N 3.47Å; I703-N705 PolarHBondContact O-N 2.93Å; I703-V706 PolarHBondContact O-N 3.49Å; I703-L707 HydrophobicContact CG2-CD1 3.7Å; I703-L707 HydrophobicContact CG2-CG 4.13Å; I703-L707 WeakPolarHBondContact O-CB 3.46Å; I703-L707 VanDerWaalsContact O-CG 3.28Å; I703-L707 WeakPolarHBondContact O-CG 3.4Å; I703-L707 PolarHBondContact O-N 3.41Å; I703-L742 HydrophobicContact CG2-CD1 3.65Å; I703-M745 HydrophobicContact CD1-CE 3.7Å; I703-M745 HydrophobicContact CD1-CG 4.28Å; I703-M745 HydrophobicContact CD1-SD 3.59Å; I703-M745 VanDerWaalsContact CD1-SD 3.59Å; I703-M745 HydrophobicContact CG1-CE 4.07Å; I703-M745 HydrophobicContact CG1-SD 3.99Å; I703-M749 HydrophobicContact CD1-CE 4.39Å; I703-M749 HydrophobicContact CD1-SD 3.63Å; I703-L762 HydrophobicContact CB-CD2 4.44Å; I703-L762 HydrophobicContact CG2-CD2 4.31Å; I703-L765 HydrophobicContact CG2-CD2 4.21Å |
| 704 | G | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.5 | -49.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A700 K701 T702 L708 L765 | A700-G704 PolarHBondContact O-N 2.99Å; K701-G704 PolarHBondContact O-N 3.34Å; T702-G704 VanDerWaalsContact C-N 3.33Å; T702-G704 PolarHBondContact O-N 2.63Å; G704-L708 VanDerWaalsContact O-CB 3.24Å; G704-L708 WeakPolarHBondContact O-CB 3.49Å; G704-L708 WeakPolarHBondContact O-CG 3.29Å; G704-L708 PolarHBondContact O-N 2.94Å; G704-L765 VanDerWaalsContact CA-CD2 3.5Å |
| 705 | N | 95 | Very high | 95.2 | Very high | 62 Ų | 62 | 25.9 Ų | 25.9 | 33% | 0.332 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -64.3 | -45.6 | -179.2 | -68.9 | -11.3 | 0 | 0 | 0 | 111.1 | E635 K701 T702 I703 S709 | E635-N705 PolarHBondContact OE1-ND2 3.46Å; K701-N705 WeakPolarHBondContact O-CB 3.41Å; K701-N705 VanDerWaalsContact O-CG 3.31Å; K701-N705 PolarHBondContact O-N 2.65Å; T702-N705 PolarHBondContact O-N 2.89Å; I703-N705 PolarHBondContact O-N 2.93Å; N705-S709 VanDerWaalsContact O-CB 3.29Å; N705-S709 WeakPolarHBondContact O-CB 3.27Å; N705-S709 PolarHBondContact O-N 3.43Å; N705-S709 PolarHBondContact O-OG 3.09Å |
| 706 | V | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -48.7 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | R639 L642 V670 L674 T702 I703 S709 Y710 | R639-V706 HydrophobicContact CG-CG2 4.14Å; L642-V706 HydrophobicContact CB-CG1 4.46Å; L642-V706 HydrophobicContact CD2-CG1 4.2Å; L642-V706 VanDerWaalsContact CD2-O 3.29Å; L642-V706 WeakPolarHBondContact CD2-O 3.32Å; V670-V706 HydrophobicContact CG1-CG1 3.8Å; L674-V706 HydrophobicContact CD1-CG1 4.33Å; L674-V706 HydrophobicContact CD2-CG1 4.46Å; L674-V706 HydrophobicContact CD2-CG2 4.4Å; T702-V706 VanDerWaalsContact O-CG2 3.3Å; T702-V706 WeakPolarHBondContact O-CG2 3.36Å; T702-V706 PolarHBondContact O-N 2.98Å; I703-V706 PolarHBondContact O-N 3.49Å; V706-S709 PolarHBondContact O-N 2.9Å; V706-Y710 PolarHBondContact O-N 2.84Å |
| 707 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.1 | -35 | -177.3 | -63.4 | -173.7 | 0 | 0 | 0 | 112.8 | V670 F671 L674 I703 Y710 A711 L738 L742 L765 L769 | V670-L707 HydrophobicContact CG1-CD2 4.32Å; F671-L707 HydrophobicContact CE2-CD2 3.88Å; F671-L707 HydrophobicContact CZ-CD1 3.93Å; F671-L707 HydrophobicContact CZ-CD2 3.84Å; L674-L707 HydrophobicContact CD1-CD2 4.33Å; I703-L707 HydrophobicContact CG2-CD1 3.7Å; I703-L707 HydrophobicContact CG2-CG 4.13Å; I703-L707 WeakPolarHBondContact O-CB 3.46Å; I703-L707 VanDerWaalsContact O-CG 3.28Å; I703-L707 WeakPolarHBondContact O-CG 3.4Å; I703-L707 PolarHBondContact O-N 3.41Å; L707-Y710 WeakPolarHBondContact O-CB 3.13Å; L707-Y710 PolarHBondContact O-N 3.45Å; L707-A711 WeakPolarHBondContact O-CB 3.48Å; L707-A711 PolarHBondContact O-N 3.34Å; L707-L738 HydrophobicContact CD2-CD1 4.5Å; L707-L738 HydrophobicContact CD2-CD2 4.13Å; L707-L742 HydrophobicContact CD1-CB 4.15Å; L707-L742 HydrophobicContact CD1-CD1 3.95Å; L707-L742 HydrophobicContact CD1-CD2 4.16Å; L707-L742 HydrophobicContact CD1-CG 4.32Å; L707-L765 HydrophobicContact CD1-CD2 4.23Å; L707-L769 HydrophobicContact CD1-CD1 4.39Å |
| 708 | L | 95.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 30 Ų | 30 | 28% | 0.277 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -70.3 | -37.1 | 173.5 | -70.3 | 175 | 0 | 0 | 0 | 111.7 | G704 Y710 A711 D712 L765 K768 | G704-L708 VanDerWaalsContact O-CB 3.24Å; G704-L708 WeakPolarHBondContact O-CB 3.49Å; G704-L708 WeakPolarHBondContact O-CG 3.29Å; G704-L708 PolarHBondContact O-N 2.94Å; L708-Y710 VanDerWaalsContact C-N 3.35Å; L708-A711 PolarHBondContact O-N 3.44Å; L708-D712 WeakPolarHBondContact O-CB 3.37Å; L708-D712 PolarHBondContact O-N 3.33Å; L708-L765 HydrophobicContact CD1-CD1 4.05Å; L708-L765 HydrophobicContact CD2-CD1 3.77Å; L708-L765 HydrophobicContact CG-CD1 3.57Å; L708-K768 HydrophobicContact CD1-CD 4.32Å; L708-K768 HydrophobicContact CD2-CB 4.03Å; L708-K768 HydrophobicContact CD2-CD 4.33Å |
| 709 | S | 95.5 | Very high | 94.7 | Very high | 40 Ų | 40 | 31.4 Ų | 31.4 | 28% | 0.28 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 171.7 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | N705 V706 A711 D712 I713 | N705-S709 VanDerWaalsContact O-CB 3.29Å; N705-S709 WeakPolarHBondContact O-CB 3.27Å; N705-S709 PolarHBondContact O-N 3.43Å; N705-S709 PolarHBondContact O-OG 3.09Å; V706-S709 PolarHBondContact O-N 2.9Å; S709-A711 VanDerWaalsContact C-N 3.33Å; S709-A711 PolarHBondContact O-N 3.4Å; S709-D712 PolarHBondContact O-N 3.17Å; S709-I713 VanDerWaalsContact O-CD1 3.3Å; S709-I713 WeakPolarHBondContact O-CD1 3.38Å; S709-I713 WeakPolarHBondContact O-CG1 3.49Å; S709-I713 PolarHBondContact O-N 3.17Å |
| 710 | Y | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.7 | -51.5 | 172.9 | -173 | -66.3 | 0 | 0 | 0 | 110.2 | L642 L646 S666 V667 V670 V706 L707 L708 D712 I713 I714 N734 I735 L738 | L642-Y710 HydrophobicContact CD1-CD2 3.37Å; L642-Y710 HydrophobicContact CD1-CE2 4.33Å; L642-Y710 HydrophobicContact CD1-CG 3.98Å; L646-Y710 HydrophobicContact CD1-CD2 4.04Å; L646-Y710 HydrophobicContact CD1-CE2 4.35Å; L646-Y710 HydrophobicContact CD1-CG 4.22Å; L646-Y710 HydrophobicContact CD2-CD2 4.06Å; L646-Y710 HydrophobicContact CD2-CE1 4.24Å; L646-Y710 HydrophobicContact CD2-CE2 3.51Å; L646-Y710 HydrophobicContact CG-CD2 4.14Å; L646-Y710 HydrophobicContact CG-CE2 4.01Å; S666-Y710 PolarHBondContact OG-OH 3.18Å; V667-Y710 HydrophobicContact CG2-CE2 4.4Å; V667-Y710 WeakPolarHBondContact CG2-OH 3.32Å; V670-Y710 HydrophobicContact CG2-CD2 4.25Å; V706-Y710 PolarHBondContact O-N 2.84Å; L707-Y710 WeakPolarHBondContact O-CB 3.13Å; L707-Y710 PolarHBondContact O-N 3.45Å; L708-Y710 VanDerWaalsContact C-N 3.35Å; Y710-D712 PolarHBondContact O-N 3.03Å; Y710-I713 PolarHBondContact O-N 2.52Å; Y710-I714 HydrophobicContact CD1-CG1 3.82Å; Y710-I714 HydrophobicContact CE1-CD1 4.34Å; Y710-I714 HydrophobicContact CE1-CG1 3.57Å; Y710-I714 WeakPolarHBondContact O-CB 3.36Å; Y710-I714 WeakPolarHBondContact O-CG1 3.24Å; Y710-I714 PolarHBondContact O-N 3.26Å; Y710-I714 VanDerWaalsContact O-N 3.08Å; Y710-N734 HydrophobicContact CE1-CB 4.43Å; Y710-N734 PolarHBondContact OH-ND2 3.17Å; Y710-I735 HydrophobicContact CD1-CD1 4.07Å; Y710-I735 HydrophobicContact CE1-CD1 4.13Å; Y710-L738 HydrophobicContact CD1-CD1 3.62Å; Y710-L738 HydrophobicContact CD1-CG 4.5Å; Y710-L738 HydrophobicContact CD2-CD2 4.41Å; Y710-L738 HydrophobicContact CE1-CD1 4.12Å; Y710-L738 HydrophobicContact CE2-CD2 4.46Å; Y710-L738 HydrophobicContact CG-CD1 3.96Å; Y710-L738 HydrophobicContact CG-CD2 4.48Å |
| 711 | A | 95.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L707 L708 S709 A715 I735 L769 V772 | L707-A711 WeakPolarHBondContact O-CB 3.48Å; L707-A711 PolarHBondContact O-N 3.34Å; L708-A711 PolarHBondContact O-N 3.44Å; S709-A711 VanDerWaalsContact C-N 3.33Å; S709-A711 PolarHBondContact O-N 3.4Å; A711-A715 VanDerWaalsContact O-CB 3.25Å; A711-A715 WeakPolarHBondContact O-CB 3.41Å; A711-A715 PolarHBondContact O-N 3.26Å; A711-I735 HydrophobicContact CB-CD1 4.26Å; A711-L769 HydrophobicContact CB-CD2 3.99Å; A711-V772 HydrophobicContact CB-CG1 4.24Å; A711-V772 HydrophobicContact CB-CG2 4.34Å |
| 712 | D | 94.9 | Very high | 93.5 | Very high | 80 Ų | 80 | 33.8 Ų | 33.8 | 43% | 0.428 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69 | -42.8 | 179.5 | -176.1 | 44.5 | 0 | 0 | 0 | 112.4 | L708 S709 Y710 I714 A715 K716 | L708-D712 WeakPolarHBondContact O-CB 3.37Å; L708-D712 PolarHBondContact O-N 3.33Å; S709-D712 PolarHBondContact O-N 3.17Å; Y710-D712 PolarHBondContact O-N 3.03Å; D712-I714 VanDerWaalsContact C-N 3.33Å; D712-I714 PolarHBondContact O-N 2.85Å; D712-A715 PolarHBondContact O-N 3.04Å; D712-K716 WeakPolarHBondContact O-CG 3.26Å; D712-K716 PolarHBondContact O-N 3.31Å; D712-K716 VanDerWaalsContact OD1-CE 3.23Å; D712-K716 WeakPolarHBondContact OD1-CE 3.37Å; D712-K716 IonicContact OD1-NZ 3.51Å; D712-K716 PolarHBondContact OD1-NZ 3.13Å; D712-K716 WeakPolarHBondContact OD2-CE 3.44Å; D712-K716 IonicContact OD2-NZ 3.23Å; D712-K716 PolarHBondContact OD2-NZ 2.96Å |
| 713 | I | 94.3 | Very high | 92.6 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 22% | 0.221 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 175 | -65.3 | 160.2 | 0 | 0 | 0 | 109.9 | H643 L646 S709 Y710 K716 D717 | H643-I713 WeakPolarHBondContact CE1-CD1 3.47Å; H643-I713 WeakPolarHBondContact ND1-CD1 3.42Å; L646-I713 HydrophobicContact CD1-CB 4.15Å; L646-I713 HydrophobicContact CD1-CD1 3.8Å; L646-I713 HydrophobicContact CD1-CG2 4Å; S709-I713 VanDerWaalsContact O-CD1 3.3Å; S709-I713 WeakPolarHBondContact O-CD1 3.38Å; S709-I713 WeakPolarHBondContact O-CG1 3.49Å; S709-I713 PolarHBondContact O-N 3.17Å; Y710-I713 PolarHBondContact O-N 2.52Å; I713-K716 PolarHBondContact O-N 3.33Å; I713-D717 PolarHBondContact O-N 3.11Å |
| 714 | I | 93.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 177.7 | -73.1 | -60.6 | 0 | 0 | 0 | 111.3 | L646 F654 Y710 D712 K716 D717 F718 I731 I735 L776 | L646-I714 HydrophobicContact CD2-CD1 4.06Å; L646-I714 HydrophobicContact CD2-CG1 4.43Å; F654-I714 HydrophobicContact CE1-CD1 4.24Å; F654-I714 HydrophobicContact CZ-CD1 4.36Å; Y710-I714 HydrophobicContact CD1-CG1 3.82Å; Y710-I714 HydrophobicContact CE1-CD1 4.34Å; Y710-I714 HydrophobicContact CE1-CG1 3.57Å; Y710-I714 WeakPolarHBondContact O-CB 3.36Å; Y710-I714 WeakPolarHBondContact O-CG1 3.24Å; Y710-I714 PolarHBondContact O-N 3.26Å; Y710-I714 VanDerWaalsContact O-N 3.08Å; D712-I714 VanDerWaalsContact C-N 3.33Å; D712-I714 PolarHBondContact O-N 2.85Å; I714-K716 VanDerWaalsContact C-N 3.29Å; I714-K716 PolarHBondContact O-N 3.37Å; I714-D717 PolarHBondContact O-N 2.92Å; I714-F718 WeakPolarHBondContact O-CA 3.4Å; I714-F718 VanDerWaalsContact O-CB 3.27Å; I714-F718 WeakPolarHBondContact O-CB 3.3Å; I714-F718 PolarHBondContact O-N 2.93Å; I714-I731 HydrophobicContact CD1-CG2 4.27Å; I714-I731 HydrophobicContact CG2-CG2 3.23Å; I714-I735 HydrophobicContact CG2-CD1 4.36Å; I714-L776 HydrophobicContact CG2-CD1 4.08Å |
| 715 | A | 93 | Very high | 90.8 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A711 D712 L776 | A711-A715 VanDerWaalsContact O-CB 3.25Å; A711-A715 WeakPolarHBondContact O-CB 3.41Å; A711-A715 PolarHBondContact O-N 3.26Å; D712-A715 PolarHBondContact O-N 3.04Å; A715-L776 HydrophobicContact CB-CD2 4.29Å |
| 716 | K | 92.5 | Very high | 90.4 | Very high | 143 Ų | 143 | 57 Ų | 57 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.1 | -38.9 | 175.7 | -73.3 | 170.7 | -179.1 | 161.1 | 0 | 113 | D712 I713 I714 | D712-K716 WeakPolarHBondContact O-CG 3.26Å; D712-K716 PolarHBondContact O-N 3.31Å; D712-K716 VanDerWaalsContact OD1-CE 3.23Å; D712-K716 WeakPolarHBondContact OD1-CE 3.37Å; D712-K716 IonicContact OD1-NZ 3.51Å; D712-K716 PolarHBondContact OD1-NZ 3.13Å; D712-K716 WeakPolarHBondContact OD2-CE 3.44Å; D712-K716 IonicContact OD2-NZ 3.23Å; D712-K716 PolarHBondContact OD2-NZ 2.96Å; I713-K716 PolarHBondContact O-N 3.33Å; I714-K716 VanDerWaalsContact C-N 3.29Å; I714-K716 PolarHBondContact O-N 3.37Å |
| 717 | D | 90.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -87.8 | -17.3 | -178.1 | -160.2 | 36 | 0 | 0 | 0 | 113.3 | K650 I713 I714 P719 N720 H721 | K650-D717 VanDerWaalsContact CE-OD2 3.31Å; K650-D717 WeakPolarHBondContact CE-OD2 3.28Å; K650-D717 VanDerWaalsContact NZ-CG 3.33Å; K650-D717 IonicContact NZ-OD1 2.71Å; K650-D717 PolarHBondContact NZ-OD1 3.25Å; K650-D717 IonicContact NZ-OD2 3.39Å; K650-D717 PolarHBondContact NZ-OD2 3.18Å; I713-D717 PolarHBondContact O-N 3.11Å; I714-D717 PolarHBondContact O-N 2.92Å; D717-P719 VanDerWaalsContact C-CD 3.5Å; D717-N720 WeakPolarHBondContact O-CB 3.19Å; D717-N720 PolarHBondContact O-N 2.92Å; D717-N720 PolarHBondContact OD1-ND2 2.86Å; D717-H721 PolarHBondContact O-CD2 3.22Å; D717-H721 VanDerWaalsContact O-CD2 3.23Å; D717-H721 IonicContact OD1-NE2 2.83Å; D717-H721 IonicContact OD2-CD2 3.97Å; D717-H721 IonicContact OD2-CE1 2.88Å; D717-H721 IonicContact OD2-NE2 3.91Å; D717-H721 PolarHBondContact OD2-NE2 2.79Å |
| 718 | F | 93.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.6 | -45.8 | -174.4 | -171 | -106.3 | 0 | 0 | 0 | 114.2 | I714 N720 H721 V722 P728 I731 I732 L776 I779 F780 | I714-F718 WeakPolarHBondContact O-CA 3.4Å; I714-F718 VanDerWaalsContact O-CB 3.27Å; I714-F718 WeakPolarHBondContact O-CB 3.3Å; I714-F718 PolarHBondContact O-N 2.93Å; F718-N720 PolarHBondContact O-N 3.21Å; F718-H721 PolarHBondContact O-N 2.97Å; F718-V722 HydrophobicContact CD1-CG2 4.1Å; F718-V722 HydrophobicContact CE1-CG2 4.01Å; F718-V722 WeakPolarHBondContact O-CG2 3.46Å; F718-V722 PolarHBondContact O-N 2.65Å; F718-P728 HydrophobicContact CE2-CB 3.92Å; F718-P728 HydrophobicContact CZ-CB 3.88Å; F718-I731 HydrophobicContact CD2-CB 4.26Å; F718-I731 HydrophobicContact CD2-CD1 4.39Å; F718-I731 HydrophobicContact CD2-CG2 3.75Å; F718-I731 HydrophobicContact CE2-CB 4.18Å; F718-I731 HydrophobicContact CE2-CG2 4.03Å; F718-I732 HydrophobicContact CE2-CD1 4.4Å; F718-I732 HydrophobicContact CE2-CG1 3.95Å; F718-I732 HydrophobicContact CZ-CD1 3.91Å; F718-I732 HydrophobicContact CZ-CG1 3.93Å; F718-L776 HydrophobicContact CB-CD2 3.83Å; F718-L776 HydrophobicContact CD1-CB 4.47Å; F718-L776 HydrophobicContact CD1-CD2 3.79Å; F718-L776 HydrophobicContact CD2-CD2 4.19Å; F718-L776 HydrophobicContact CE1-CB 4.21Å; F718-L776 HydrophobicContact CE1-CD2 4.37Å; F718-L776 VanDerWaalsContact CE1-O 3.28Å; F718-L776 WeakPolarHBondContact CE1-O 3.42Å; F718-L776 HydrophobicContact CG-CD2 3.69Å; F718-L776 HydrophobicContact CZ-CB 4.26Å; F718-I779 HydrophobicContact CD1-CB 4.22Å; F718-I779 HydrophobicContact CD1-CG2 3.86Å; F718-I779 HydrophobicContact CE1-CB 4.15Å; F718-I779 HydrophobicContact CE1-CG2 4.02Å; F718-F780 HydrophobicContact CE1-CB 4.11Å; F718-F780 HydrophobicContact CZ-CB 4.05Å |
| 719 | P | 90.4 | Very high | 89.7 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.2 | -26.9 | 178.8 | -26.3 | 36.6 | 0 | 0 | 0 | 114.3 | D717 H721 | D717-P719 VanDerWaalsContact C-CD 3.5Å; P719-H721 VanDerWaalsContact C-N 3.31Å; P719-H721 PolarHBondContact O-N 3.4Å |
| 720 | N | 88.4 | Confident | 89.6 | Confident | 114 Ų | 114 | 54 Ų | 54 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.5 | -23 | 178.7 | -60.5 | -33.8 | 0 | 0 | 0 | 112.8 | D717 F718 | D717-N720 WeakPolarHBondContact O-CB 3.19Å; D717-N720 PolarHBondContact O-N 2.92Å; D717-N720 PolarHBondContact OD1-ND2 2.86Å; F718-N720 PolarHBondContact O-N 3.21Å |
| 721 | H | 88.4 | Confident | 89.4 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -97.9 | -12.6 | -177.1 | -60.5 | -69.6 | 0 | 0 | 0 | 113.7 | F654 D717 F718 P719 K723 K724 V727 P728 I731 | F654-H721 AromaticContact CE2-CE1 3.95Å; F654-H721 AromaticContact CE2-NE2 3.95Å; D717-H721 PolarHBondContact O-CD2 3.22Å; D717-H721 VanDerWaalsContact O-CD2 3.23Å; D717-H721 IonicContact OD1-NE2 2.83Å; D717-H721 IonicContact OD2-CD2 3.97Å; D717-H721 IonicContact OD2-CE1 2.88Å; D717-H721 IonicContact OD2-NE2 3.91Å; D717-H721 PolarHBondContact OD2-NE2 2.79Å; F718-H721 PolarHBondContact O-N 2.97Å; P719-H721 VanDerWaalsContact C-N 3.31Å; P719-H721 PolarHBondContact O-N 3.4Å; H721-K723 PolarHBondContact O-N 2.74Å; H721-K724 PolarHBondContact ND1-NZ 3.27Å; H721-K724 VanDerWaalsContact O-CB 3.31Å; H721-K724 WeakPolarHBondContact O-CB 3.47Å; H721-K724 PolarHBondContact O-N 2.71Å; H721-V727 HydrophobicContact CB-CG1 3.98Å; H721-P728 VanDerWaalsContact O-CG 3.23Å; H721-P728 WeakPolarHBondContact O-CG 3.43Å; H721-I731 HydrophobicContact CB-CD1 4.21Å |
| 722 | V | 85.1 | Confident | 89.4 | Confident | 23 Ų | 23 | 54 Ų | 54 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.3 | -175.5 | 171.6 | 0 | 0 | 0 | 0 | 113.7 | F718 K724 I779 S783 | F718-V722 HydrophobicContact CD1-CG2 4.1Å; F718-V722 HydrophobicContact CE1-CG2 4.01Å; F718-V722 WeakPolarHBondContact O-CG2 3.46Å; F718-V722 PolarHBondContact O-N 2.65Å; V722-K724 VanDerWaalsContact C-N 3.28Å; V722-K724 PolarHBondContact O-N 2.93Å; V722-I779 HydrophobicContact CG2-CG2 4.19Å; V722-S783 WeakPolarHBondContact CG1-OG 3.28Å |
| 723 | K | 77.9 | Confident | 89.3 | Confident | 207 Ų | 207 | 50.2 Ų | 50.2 | 90% | 0.9 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -11.6 | 177.2 | -63.4 | -175.6 | -179.4 | -179.8 | 0 | 114 | H721 | H721-K723 PolarHBondContact O-N 2.74Š|
| 724 | K | 80.4 | Confident | 89.4 | Confident | 99 Ų | 99 | 48.2 Ų | 48.2 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -88.1 | 135.5 | 177.4 | -59.9 | 176.3 | -177.9 | 168.9 | 0 | 108.6 | H721 V722 K726 V727 P728 | H721-K724 PolarHBondContact ND1-NZ 3.27Å; H721-K724 VanDerWaalsContact O-CB 3.31Å; H721-K724 WeakPolarHBondContact O-CB 3.47Å; H721-K724 PolarHBondContact O-N 2.71Å; V722-K724 VanDerWaalsContact C-N 3.28Å; V722-K724 PolarHBondContact O-N 2.93Å; K724-K726 PolarHBondContact O-N 3.42Å; K724-V727 HydrophobicContact CB-CB 4.08Å; K724-V727 HydrophobicContact CB-CG2 4.21Å; K724-V727 HydrophobicContact CD-CB 4.2Å; K724-V727 HydrophobicContact CD-CG2 4Å; K724-P728 WeakPolarHBondContact O-CD 3.46Å; K724-P728 WeakPolarHBondContact O-CG 3.28Å |
| 725 | E | 72.5 | Confident | 89.5 | Confident | 129 Ų | 129 | 47.9 Ų | 47.9 | 60% | 0.603 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -64.7 | -42.6 | -168.4 | -159 | -173.8 | 174.4 | 0 | 0 | 114 | L834 | E725-L834 HydrophobicContact CG-CD2 3.66Å; E725-L834 WeakPolarHBondContact OE1-CD2 3.39Å |
| 726 | K | 87 | Confident | 89.6 | Confident | 115 Ų | 115 | 46.8 Ų | 46.8 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -105.7 | -32.7 | -172.9 | -61.6 | 178.7 | -176.8 | 172.3 | 0 | 114.6 | K724 C729 I730 I838 | K724-K726 PolarHBondContact O-N 3.42Å; K726-C729 WeakPolarHBondContact O-CB 3.49Å; K726-C729 PolarHBondContact O-N 2.9Å; K726-C729 VanDerWaalsContact O-N 3.15Å; K726-I730 HydrophobicContact CB-CD1 4.47Å; K726-I730 PolarHBondContact O-N 2.97Å; K726-I838 HydrophobicContact CB-CD1 4.13Å; K726-I838 HydrophobicContact CG-CD1 4.04Å |
| 727 | V | 90.8 | Very high | 89.7 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | -170.9 | 174 | 0 | 0 | 0 | 0 | 113.4 | F654 H721 K724 C729 I730 I731 | F654-V727 HydrophobicContact CB-CG1 4.13Å; F654-V727 HydrophobicContact CD2-CG1 3.73Å; F654-V727 HydrophobicContact CG-CG1 4.26Å; H721-V727 HydrophobicContact CB-CG1 3.98Å; K724-V727 HydrophobicContact CB-CB 4.08Å; K724-V727 HydrophobicContact CB-CG2 4.21Å; K724-V727 HydrophobicContact CD-CB 4.2Å; K724-V727 HydrophobicContact CD-CG2 4Å; V727-C729 VanDerWaalsContact C-N 3.27Å; V727-C729 PolarHBondContact O-N 3.09Å; V727-I730 PolarHBondContact O-N 3.33Å; V727-I731 HydrophobicContact CG1-CD1 3.67Å; V727-I731 HydrophobicContact CG1-CG1 4.19Å; V727-I731 WeakPolarHBondContact O-CG1 3.3Å; V727-I731 PolarHBondContact O-N 3.36Å |
| 728 | P | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 176.7 | -26.9 | 36.8 | 0 | 0 | 0 | 113 | F718 H721 K724 I731 I732 F780 | F718-P728 HydrophobicContact CE2-CB 3.92Å; F718-P728 HydrophobicContact CZ-CB 3.88Å; H721-P728 VanDerWaalsContact O-CG 3.23Å; H721-P728 WeakPolarHBondContact O-CG 3.43Å; K724-P728 WeakPolarHBondContact O-CD 3.46Å; K724-P728 WeakPolarHBondContact O-CG 3.28Å; P728-I731 PolarHBondContact O-N 3.17Å; P728-I732 VanDerWaalsContact O-CG1 3.25Å; P728-I732 WeakPolarHBondContact O-CG1 3.16Å; P728-I732 PolarHBondContact O-N 3.31Å; P728-F780 HydrophobicContact CB-CD2 3.55Å; P728-F780 HydrophobicContact CB-CE2 3.55Å; P728-F780 HydrophobicContact CB-CG 4.34Å; P728-F780 HydrophobicContact CB-CZ 4.31Å; P728-F780 HydrophobicContact CG-CD2 4.15Å; P728-F780 HydrophobicContact CG-CE2 3.91Å |
| 729 | C | 90.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -43.4 | 178.7 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | K726 V727 I732 N733 I838 C839 | K726-C729 WeakPolarHBondContact O-CB 3.49Å; K726-C729 PolarHBondContact O-N 2.9Å; K726-C729 VanDerWaalsContact O-N 3.15Å; V727-C729 VanDerWaalsContact C-N 3.27Å; V727-C729 PolarHBondContact O-N 3.09Å; C729-I732 PolarHBondContact O-N 3.43Å; C729-N733 PolarHBondContact O-N 3.03Å; C729-N733 PolarHBondContact O-ND2 3.41Å; C729-N733 PolarHBondContact O-OD1 3.44Å; C729-I838 HydrophobicContact CB-CD1 3.7Å; C729-I838 HydrophobicContact CB-CG1 3.8Å; C729-C839 VanDerWaalsContact CB-SG 3.57Å; C729-C839 PolarHBondContact SG-SG 3.33Å |
| 730 | I | 92.6 | Very high | 90.3 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 177.6 | -58.5 | 167.1 | 0 | 0 | 0 | 110.4 | F654 V656 K726 V727 I732 N733 N734 | F654-I730 VanDerWaalsContact O-CD1 3.22Å; F654-I730 WeakPolarHBondContact O-CD1 3.42Å; V656-I730 HydrophobicContact CG1-CD1 3.74Å; V656-I730 HydrophobicContact CG1-CG1 3.8Å; V656-I730 HydrophobicContact CG1-CG2 4.31Å; K726-I730 HydrophobicContact CB-CD1 4.47Å; K726-I730 PolarHBondContact O-N 2.97Å; V727-I730 PolarHBondContact O-N 3.33Å; I730-I732 PolarHBondContact O-N 3.27Å; I730-N733 CarbonylContact O-C 3.58Å; I730-N733 WeakPolarHBondContact O-CB 3.37Å; I730-N733 PolarHBondContact O-N 2.78Å; I730-N734 VanDerWaalsContact O-CG 3.24Å; I730-N734 PolarHBondContact O-N 2.86Å; I730-N734 PolarHBondContact O-OD1 3.48Å |
| 731 | I | 93.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -41 | 177.1 | -68.7 | 171.9 | 0 | 0 | 0 | 111.7 | F654 I714 F718 H721 V727 P728 N734 I735 | F654-I731 HydrophobicContact CD1-CG1 4.26Å; F654-I731 HydrophobicContact CD2-CD1 4.12Å; F654-I731 HydrophobicContact CD2-CG1 4.37Å; F654-I731 HydrophobicContact CE1-CG1 4.48Å; F654-I731 HydrophobicContact CE2-CD1 4.08Å; F654-I731 HydrophobicContact CG-CD1 4.44Å; F654-I731 HydrophobicContact CG-CG1 4.19Å; F654-I731 HydrophobicContact CZ-CD1 4.39Å; I714-I731 HydrophobicContact CD1-CG2 4.27Å; I714-I731 HydrophobicContact CG2-CG2 3.23Å; F718-I731 HydrophobicContact CD2-CB 4.26Å; F718-I731 HydrophobicContact CD2-CD1 4.39Å; F718-I731 HydrophobicContact CD2-CG2 3.75Å; F718-I731 HydrophobicContact CE2-CB 4.18Å; F718-I731 HydrophobicContact CE2-CG2 4.03Å; H721-I731 HydrophobicContact CB-CD1 4.21Å; V727-I731 HydrophobicContact CG1-CD1 3.67Å; V727-I731 HydrophobicContact CG1-CG1 4.19Å; V727-I731 WeakPolarHBondContact O-CG1 3.3Å; V727-I731 PolarHBondContact O-N 3.36Å; P728-I731 PolarHBondContact O-N 3.17Å; I731-N734 WeakPolarHBondContact O-CB 3.39Å; I731-N734 PolarHBondContact O-N 3.31Å; I731-I735 PolarHBondContact O-N 3.37Å |
| 732 | I | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69 | -36.7 | 175.9 | -56.9 | 167.5 | 0 | 0 | 0 | 110.7 | F718 P728 C729 I730 N734 I735 Q736 M773 L776 F780 V843 V847 | F718-I732 HydrophobicContact CE2-CD1 4.4Å; F718-I732 HydrophobicContact CE2-CG1 3.95Å; F718-I732 HydrophobicContact CZ-CD1 3.91Å; F718-I732 HydrophobicContact CZ-CG1 3.93Å; P728-I732 VanDerWaalsContact O-CG1 3.25Å; P728-I732 WeakPolarHBondContact O-CG1 3.16Å; P728-I732 PolarHBondContact O-N 3.31Å; C729-I732 PolarHBondContact O-N 3.43Å; I730-I732 PolarHBondContact O-N 3.27Å; I732-N734 VanDerWaalsContact C-N 3.28Å; I732-N734 PolarHBondContact O-N 2.83Å; I732-I735 PolarHBondContact O-N 2.69Å; I732-Q736 PolarHBondContact O-N 3.04Å; I732-M773 HydrophobicContact CG2-CG 3.82Å; I732-L776 HydrophobicContact CG1-CB 4.03Å; I732-F780 HydrophobicContact CD1-CB 4.25Å; I732-F780 HydrophobicContact CD1-CD1 4.43Å; I732-F780 HydrophobicContact CD1-CG 4.47Å; I732-V843 HydrophobicContact CB-CG1 3.82Å; I732-V843 HydrophobicContact CG2-CB 4.23Å; I732-V843 HydrophobicContact CG2-CG1 3.47Å; I732-V843 VanDerWaalsContact CG2-CG1 3.47Å; I732-V843 HydrophobicContact CG2-CG2 3.86Å; I732-V847 HydrophobicContact CD1-CG2 4.47Å |
| 733 | N | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -37.6 | 171.1 | -64.9 | -23.8 | 0 | 0 | 0 | 111.5 | L662 C729 I730 I735 Q736 Q737 I838 E840 V843 | L662-N733 WeakPolarHBondContact CB-ND2 3.09Å; L662-N733 VanDerWaalsContact O-CB 3.29Å; L662-N733 WeakPolarHBondContact O-CB 3.42Å; L662-N733 PolarHBondContact O-ND2 3.42Å; C729-N733 PolarHBondContact O-N 3.03Å; C729-N733 PolarHBondContact O-ND2 3.41Å; C729-N733 PolarHBondContact O-OD1 3.44Å; I730-N733 CarbonylContact O-C 3.58Å; I730-N733 WeakPolarHBondContact O-CB 3.37Å; I730-N733 PolarHBondContact O-N 2.78Å; N733-I735 PolarHBondContact O-N 3.31Å; N733-Q736 PolarHBondContact O-N 3.5Å; N733-Q737 WeakPolarHBondContact O-CB 3.23Å; N733-Q737 PolarHBondContact O-N 3.45Å; N733-I838 PolarHBondContact ND2-O 3.27Å; N733-E840 PolarHBondContact OD1-N 2.84Å; N733-V843 WeakPolarHBondContact OD1-CG2 3.5Å |
| 734 | N | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 175.8 | -67.6 | -13.1 | 0 | 0 | 0 | 111.5 | F663 S664 V667 Y710 I730 I731 I732 Q736 Q737 L738 | F663-N734 WeakPolarHBondContact CA-OD1 3.47Å; F663-N734 WeakPolarHBondContact CB-OD1 3.1Å; S664-N734 PolarHBondContact N-OD1 3.29Å; S664-N734 PolarHBondContact OG-ND2 3.33Å; S664-N734 PolarHBondContact OG-OD1 3.45Å; V667-N734 HydrophobicContact CG2-CB 3.57Å; Y710-N734 HydrophobicContact CE1-CB 4.43Å; Y710-N734 PolarHBondContact OH-ND2 3.17Å; I730-N734 VanDerWaalsContact O-CG 3.24Å; I730-N734 PolarHBondContact O-N 2.86Å; I730-N734 PolarHBondContact O-OD1 3.48Å; I731-N734 WeakPolarHBondContact O-CB 3.39Å; I731-N734 PolarHBondContact O-N 3.31Å; I732-N734 VanDerWaalsContact C-N 3.28Å; I732-N734 PolarHBondContact O-N 2.83Å; N734-Q736 VanDerWaalsContact C-N 3.32Å; N734-Q736 PolarHBondContact O-N 2.84Å; N734-Q737 CarbonylContact O-C 3.48Å; N734-Q737 WeakPolarHBondContact O-CB 3.43Å; N734-Q737 PolarHBondContact O-N 3.09Å; N734-Q737 VanDerWaalsContact O-N 3.11Å; N734-L738 WeakPolarHBondContact O-CG 3.15Å; N734-L738 PolarHBondContact O-N 2.72Å |
| 735 | I | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 176.8 | -61 | -59.4 | 0 | 0 | 0 | 111.4 | Y710 A711 I714 I731 I732 N733 Q737 L738 R739 M773 L776 | Y710-I735 HydrophobicContact CD1-CD1 4.07Å; Y710-I735 HydrophobicContact CE1-CD1 4.13Å; A711-I735 HydrophobicContact CB-CD1 4.26Å; I714-I735 HydrophobicContact CG2-CD1 4.36Å; I731-I735 PolarHBondContact O-N 3.37Å; I732-I735 PolarHBondContact O-N 2.69Å; N733-I735 PolarHBondContact O-N 3.31Å; I735-Q737 VanDerWaalsContact C-N 3.32Å; I735-L738 HydrophobicContact CD1-CD1 4Å; I735-L738 WeakPolarHBondContact O-CB 3.25Å; I735-L738 PolarHBondContact O-N 2.91Å; I735-R739 PolarHBondContact O-N 3.48Å; I735-M773 HydrophobicContact CG2-CB 3.94Å; I735-L776 HydrophobicContact CG1-CD1 3.81Å |
| 736 | Q | 94.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 173.8 | 173.4 | 55.9 | 22.4 | 0 | 0 | 111.6 | I732 N733 N734 L738 R739 V740 M773 E840 V843 | I732-Q736 PolarHBondContact O-N 3.04Å; N733-Q736 PolarHBondContact O-N 3.5Å; N734-Q736 VanDerWaalsContact C-N 3.32Å; N734-Q736 PolarHBondContact O-N 2.84Å; Q736-L738 VanDerWaalsContact C-N 3.32Å; Q736-L738 PolarHBondContact O-N 3.12Å; Q736-R739 WeakPolarHBondContact O-CB 3.33Å; Q736-R739 PolarHBondContact O-N 3.19Å; Q736-R739 VanDerWaalsContact O-N 3.11Å; Q736-V740 WeakPolarHBondContact O-CG2 3.31Å; Q736-V740 PolarHBondContact O-N 3.09Å; Q736-M773 HydrophobicContact CB-SD 4Å; Q736-E840 WeakPolarHBondContact CG-OE2 3.4Å; Q736-V843 HydrophobicContact CB-CG2 3.83Å; Q736-V843 HydrophobicContact CG-CG2 4.29Å |
| 737 | Q | 95.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 28 Ų | 28 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.1 | -34.1 | 176.7 | -170.6 | 62.3 | 35 | 0 | 0 | 111.8 | F663 V667 N733 N734 I735 R739 V740 Q741 | F663-Q737 HydrophobicContact CB-CB 4.11Å; F663-Q737 HydrophobicContact CB-CG 4.32Å; F663-Q737 HydrophobicContact CD1-CB 3.95Å; F663-Q737 HydrophobicContact CD1-CG 3.54Å; F663-Q737 VanDerWaalsContact CD1-OE1 3.29Å; F663-Q737 HydrophobicContact CD2-CG 4.1Å; F663-Q737 HydrophobicContact CE1-CG 3.78Å; F663-Q737 HydrophobicContact CE2-CG 4.31Å; F663-Q737 HydrophobicContact CG-CB 4.04Å; F663-Q737 HydrophobicContact CG-CG 3.72Å; F663-Q737 HydrophobicContact CZ-CG 4.16Å; V667-Q737 HydrophobicContact CG1-CB 3.98Å; V667-Q737 HydrophobicContact CG1-CG 3.56Å; N733-Q737 WeakPolarHBondContact O-CB 3.23Å; N733-Q737 PolarHBondContact O-N 3.45Å; N734-Q737 CarbonylContact O-C 3.48Å; N734-Q737 WeakPolarHBondContact O-CB 3.43Å; N734-Q737 PolarHBondContact O-N 3.09Å; N734-Q737 VanDerWaalsContact O-N 3.11Å; I735-Q737 VanDerWaalsContact C-N 3.32Å; Q737-R739 VanDerWaalsContact C-N 3.29Å; Q737-R739 PolarHBondContact O-N 3.23Å; Q737-V740 PolarHBondContact O-N 3.09Å; Q737-Q741 HydrophobicContact CG-CG 4.34Å; Q737-Q741 VanDerWaalsContact NE2-CG 3.33Å; Q737-Q741 WeakPolarHBondContact O-CB 3.47Å; Q737-Q741 WeakPolarHBondContact O-CG 3.04Å; Q737-Q741 PolarHBondContact O-N 3.07Å |
| 738 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.7 | -44.1 | 170.3 | -57.2 | -175 | 0 | 0 | 0 | 111 | V667 F671 L707 Y710 N734 I735 Q736 L742 L769 | V667-L738 HydrophobicContact CG1-CD2 3.93Å; V667-L738 HydrophobicContact CG2-CD2 4.16Å; F671-L738 HydrophobicContact CD2-CD2 4.43Å; F671-L738 HydrophobicContact CE2-CB 4.36Å; F671-L738 HydrophobicContact CE2-CD2 3.71Å; F671-L738 WeakPolarHBondContact CZ-O 3.4Å; L707-L738 HydrophobicContact CD2-CD1 4.5Å; L707-L738 HydrophobicContact CD2-CD2 4.13Å; Y710-L738 HydrophobicContact CD1-CD1 3.62Å; Y710-L738 HydrophobicContact CD1-CG 4.5Å; Y710-L738 HydrophobicContact CD2-CD2 4.41Å; Y710-L738 HydrophobicContact CE1-CD1 4.12Å; Y710-L738 HydrophobicContact CE2-CD2 4.46Å; Y710-L738 HydrophobicContact CG-CD1 3.96Å; Y710-L738 HydrophobicContact CG-CD2 4.48Å; N734-L738 WeakPolarHBondContact O-CG 3.15Å; N734-L738 PolarHBondContact O-N 2.72Å; I735-L738 HydrophobicContact CD1-CD1 4Å; I735-L738 WeakPolarHBondContact O-CB 3.25Å; I735-L738 PolarHBondContact O-N 2.91Å; Q736-L738 VanDerWaalsContact C-N 3.32Å; Q736-L738 PolarHBondContact O-N 3.12Å; L738-L742 WeakPolarHBondContact O-CB 3.41Å; L738-L742 PolarHBondContact O-N 3.1Å; L738-L769 HydrophobicContact CB-CD1 4.31Å; L738-L769 HydrophobicContact CD1-CD2 4.36Å |
| 739 | R | 96.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 17% | 0.17 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -44 | 178.8 | -64.5 | 175.8 | 68.2 | -130.5 | -0.7 | 111.8 | I735 Q736 Q737 E743 Q766 L769 N770 | I735-R739 PolarHBondContact O-N 3.48Å; Q736-R739 WeakPolarHBondContact O-CB 3.33Å; Q736-R739 PolarHBondContact O-N 3.19Å; Q736-R739 VanDerWaalsContact O-N 3.11Å; Q737-R739 VanDerWaalsContact C-N 3.29Å; Q737-R739 PolarHBondContact O-N 3.23Å; R739-E743 PolarHBondContact O-N 3.24Å; R739-E743 VanDerWaalsContact O-N 3.14Å; R739-Q766 PolarHBondContact O-NE2 2.9Å; R739-L769 HydrophobicContact CG-CB 3.67Å; R739-L769 HydrophobicContact CG-CD1 4.16Å; R739-N770 PolarHBondContact NH2-OD1 2.94Å |
| 740 | V | 95.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 32 Ų | 32 | 22% | 0.224 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 179.2 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | Q736 Q737 E743 K744 | Q736-V740 WeakPolarHBondContact O-CG2 3.31Å; Q736-V740 PolarHBondContact O-N 3.09Å; Q737-V740 PolarHBondContact O-N 3.09Å; V740-E743 PolarHBondContact O-N 3.14Å; V740-K744 PolarHBondContact O-N 3.48Å |
| 741 | Q | 94.9 | Very high | 94 | Very high | 48 Ų | 48 | 31.4 Ų | 31.4 | 22% | 0.224 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.7 | -32.2 | 180 | -66.3 | -68.1 | -5.4 | 0 | 0 | 112.3 | F671 Q737 E743 K744 M745 | F671-Q741 HydrophobicContact CD1-CB 3.56Å; F671-Q741 HydrophobicContact CD2-CB 3.75Å; F671-Q741 HydrophobicContact CD2-CG 4.24Å; F671-Q741 VanDerWaalsContact CE1-C 3.49Å; F671-Q741 HydrophobicContact CE1-CB 3.42Å; F671-Q741 VanDerWaalsContact CE1-CB 3.42Å; F671-Q741 HydrophobicContact CE2-CB 3.62Å; F671-Q741 HydrophobicContact CE2-CG 4.42Å; F671-Q741 HydrophobicContact CG-CB 3.72Å; F671-Q741 HydrophobicContact CG-CG 4.3Å; F671-Q741 HydrophobicContact CZ-CB 3.45Å; F671-Q741 VanDerWaalsContact CZ-CB 3.45Å; Q737-Q741 HydrophobicContact CG-CG 4.34Å; Q737-Q741 VanDerWaalsContact NE2-CG 3.33Å; Q737-Q741 WeakPolarHBondContact O-CB 3.47Å; Q737-Q741 WeakPolarHBondContact O-CG 3.04Å; Q737-Q741 PolarHBondContact O-N 3.07Å; Q741-E743 VanDerWaalsContact C-N 3.31Å; Q741-E743 PolarHBondContact O-N 3.31Å; Q741-K744 PolarHBondContact O-N 2.88Å; Q741-M745 WeakPolarHBondContact O-CB 3.45Å; Q741-M745 PolarHBondContact O-N 2.94Å |
| 742 | L | 95.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 171.6 | 175.5 | 61.9 | 0 | 0 | 0 | 111.8 | F671 I703 L707 L738 M745 F746 L762 L765 Q766 L769 | F671-L742 HydrophobicContact CZ-CB 4.4Å; I703-L742 HydrophobicContact CG2-CD1 3.65Å; L707-L742 HydrophobicContact CD1-CB 4.15Å; L707-L742 HydrophobicContact CD1-CD1 3.95Å; L707-L742 HydrophobicContact CD1-CD2 4.16Å; L707-L742 HydrophobicContact CD1-CG 4.32Å; L738-L742 WeakPolarHBondContact O-CB 3.41Å; L738-L742 PolarHBondContact O-N 3.1Å; L742-M745 PolarHBondContact O-N 3.12Å; L742-F746 WeakPolarHBondContact O-CB 3.38Å; L742-F746 PolarHBondContact O-N 2.94Å; L742-L762 HydrophobicContact CD1-CD2 4Å; L742-L765 HydrophobicContact CD1-CD2 4.01Å; L742-L765 HydrophobicContact CD2-CB 4.35Å; L742-L765 HydrophobicContact CD2-CD2 3.65Å; L742-L765 HydrophobicContact CD2-CG 3.76Å; L742-Q766 HydrophobicContact CD2-CG 3.81Å; L742-Q766 HydrophobicContact CG-CG 4.36Å; L742-L769 HydrophobicContact CD2-CD1 3.87Å |
| 743 | E | 94.6 | Very high | 93.2 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.1 | -42.5 | 174.8 | -172.1 | 171.5 | -165 | 0 | 0 | 111.6 | R739 V740 Q741 M745 F746 E747 | R739-E743 PolarHBondContact O-N 3.24Å; R739-E743 VanDerWaalsContact O-N 3.14Å; V740-E743 PolarHBondContact O-N 3.14Å; Q741-E743 VanDerWaalsContact C-N 3.31Å; Q741-E743 PolarHBondContact O-N 3.31Å; E743-M745 VanDerWaalsContact C-N 3.32Å; E743-M745 PolarHBondContact O-N 2.81Å; E743-F746 WeakPolarHBondContact O-CB 3.49Å; E743-F746 PolarHBondContact O-N 2.75Å; E743-E747 PolarHBondContact O-N 3.21Å |
| 744 | K | 94.2 | Very high | 93 | Very high | 124 Ų | 124 | 48.8 Ų | 48.8 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -39.6 | 173.8 | -69.8 | 179.2 | 179.9 | 179.1 | 0 | 112.6 | V740 Q741 E747 A748 | V740-K744 PolarHBondContact O-N 3.48Å; Q741-K744 PolarHBondContact O-N 2.88Å; K744-E747 PolarHBondContact O-N 2.73Å; K744-A748 WeakPolarHBondContact O-CB 3.48Å; K744-A748 PolarHBondContact O-N 2.87Å |
| 745 | M | 94 | Very high | 92.7 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 178.2 | -163 | 172.9 | -168.2 | 0 | 0 | 111.6 | F671 L674 F678 F699 I703 Q741 L742 E743 E747 A748 M749 | F671-M745 HydrophobicContact CD1-SD 4.47Å; F671-M745 HydrophobicContact CE1-SD 4.37Å; L674-M745 HydrophobicContact CB-CE 3.78Å; L674-M745 HydrophobicContact CB-SD 4.22Å; F678-M745 HydrophobicContact CB-CE 4.1Å; F699-M745 HydrophobicContact CE1-CE 3.42Å; F699-M745 VanDerWaalsContact CE1-CE 3.42Å; F699-M745 HydrophobicContact CZ-CE 3.57Å; I703-M745 HydrophobicContact CD1-CE 3.7Å; I703-M745 HydrophobicContact CD1-CG 4.28Å; I703-M745 HydrophobicContact CD1-SD 3.59Å; I703-M745 VanDerWaalsContact CD1-SD 3.59Å; I703-M745 HydrophobicContact CG1-CE 4.07Å; I703-M745 HydrophobicContact CG1-SD 3.99Å; Q741-M745 WeakPolarHBondContact O-CB 3.45Å; Q741-M745 PolarHBondContact O-N 2.94Å; L742-M745 PolarHBondContact O-N 3.12Å; E743-M745 VanDerWaalsContact C-N 3.32Å; E743-M745 PolarHBondContact O-N 2.81Å; M745-E747 PolarHBondContact O-N 3.18Å; M745-A748 PolarHBondContact O-N 3.48Å; M745-M749 HydrophobicContact CG-SD 4.41Å; M745-M749 VanDerWaalsContact O-CG 3.26Å; M745-M749 WeakPolarHBondContact O-CG 3.44Å; M745-M749 PolarHBondContact O-N 3.46Å |
| 746 | F | 93.9 | Very high | 92.4 | Very high | 32 Ų | 32 | 57.9 Ų | 57.9 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 172.3 | 168.4 | -98.8 | 0 | 0 | 0 | 111.9 | L742 E743 M749 G750 G751 L754 L762 | L742-F746 WeakPolarHBondContact O-CB 3.38Å; L742-F746 PolarHBondContact O-N 2.94Å; E743-F746 WeakPolarHBondContact O-CB 3.49Å; E743-F746 PolarHBondContact O-N 2.75Å; F746-M749 PolarHBondContact O-N 2.97Å; F746-G750 PolarHBondContact O-N 2.83Å; F746-G751 WeakPolarHBondContact CZ-O 3.27Å; F746-G751 WeakPolarHBondContact O-CA 3.32Å; F746-G751 PolarHBondContact O-N 3.49Å; F746-L754 HydrophobicContact CD2-CD2 3.86Å; F746-L754 HydrophobicContact CE2-CD2 3.85Å; F746-L762 HydrophobicContact CB-CD1 4.49Å; F746-L762 HydrophobicContact CD2-CB 4.34Å; F746-L762 HydrophobicContact CD2-CD1 3.92Å |
| 747 | E | 93.4 | Very high | 92.2 | Very high | 113 Ų | 113 | 62.8 Ų | 62.8 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 174.5 | -66.9 | -62.4 | 159.1 | 0 | 0 | 111.8 | E743 K744 M745 M749 G750 G751 | E743-E747 PolarHBondContact O-N 3.21Å; K744-E747 PolarHBondContact O-N 2.73Å; M745-E747 PolarHBondContact O-N 3.18Å; E747-M749 VanDerWaalsContact C-N 3.28Å; E747-M749 PolarHBondContact O-N 3.15Å; E747-G750 PolarHBondContact O-N 3.26Å; E747-G750 VanDerWaalsContact O-N 3.12Å; E747-G751 PolarHBondContact O-N 3.19Å |
| 748 | A | 91.9 | Very high | 92.1 | Very high | 57 Ų | 57 | 62 Ų | 62 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -30.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F678 K744 M745 G750 | F678-A748 HydrophobicContact CE1-CB 4.17Å; F678-A748 WeakPolarHBondContact CZ-O 3.33Å; K744-A748 WeakPolarHBondContact O-CB 3.48Å; K744-A748 PolarHBondContact O-N 2.87Å; M745-A748 PolarHBondContact O-N 3.48Å; A748-G750 VanDerWaalsContact C-N 3.27Å; A748-G750 PolarHBondContact O-N 2.99Å |
| 749 | M | 90.8 | Very high | 92 | Very high | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.5 | 176.2 | -70.6 | 174.2 | 67.5 | 0 | 0 | 113.6 | F678 M696 F699 I703 M745 F746 E747 L754 L762 | F678-M749 HydrophobicContact CD2-CG 4.05Å; F678-M749 HydrophobicContact CE2-CB 4.34Å; F678-M749 HydrophobicContact CE2-CG 3.61Å; F678-M749 HydrophobicContact CZ-CB 4.46Å; F678-M749 HydrophobicContact CZ-CG 3.97Å; M696-M749 HydrophobicContact CB-CE 4.25Å; M696-M749 HydrophobicContact SD-CB 4.3Å; M696-M749 HydrophobicContact SD-CE 3.73Å; M696-M749 HydrophobicContact SD-CG 4.3Å; F699-M749 HydrophobicContact CD1-CE 3.94Å; F699-M749 HydrophobicContact CD1-SD 4.17Å; F699-M749 HydrophobicContact CE1-SD 4.42Å; I703-M749 HydrophobicContact CD1-CE 4.39Å; I703-M749 HydrophobicContact CD1-SD 3.63Å; M745-M749 HydrophobicContact CG-SD 4.41Å; M745-M749 VanDerWaalsContact O-CG 3.26Å; M745-M749 WeakPolarHBondContact O-CG 3.44Å; M745-M749 PolarHBondContact O-N 3.46Å; F746-M749 PolarHBondContact O-N 2.97Å; E747-M749 VanDerWaalsContact C-N 3.28Å; E747-M749 PolarHBondContact O-N 3.15Å; M749-L754 HydrophobicContact CB-CD1 4.15Å; M749-L754 HydrophobicContact CB-CD2 4.42Å; M749-L754 HydrophobicContact CE-CD1 4.49Å; M749-L762 HydrophobicContact CE-CD1 4.38Å; M749-L762 HydrophobicContact SD-CD1 4.2Å |
| 750 | G | 88.6 | Confident | 91.8 | Very high | 31 Ų | 31 | 64.4 Ų | 64.4 | 32% | 0.32 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 128.4 | -5.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F746 E747 A748 K752 D753 | F746-G750 PolarHBondContact O-N 2.83Å; E747-G750 PolarHBondContact O-N 3.26Å; E747-G750 VanDerWaalsContact O-N 3.12Å; A748-G750 VanDerWaalsContact C-N 3.27Å; A748-G750 PolarHBondContact O-N 2.99Å; G750-K752 PolarHBondContact O-N 3.34Å; G750-D753 PolarHBondContact O-N 2.88Å |
| 751 | G | 91.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | 53.8 | -111.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F746 E747 D753 L754 | F746-G751 WeakPolarHBondContact CZ-O 3.27Å; F746-G751 WeakPolarHBondContact O-CA 3.32Å; F746-G751 PolarHBondContact O-N 3.49Å; E747-G751 PolarHBondContact O-N 3.19Å; G751-D753 VanDerWaalsContact C-N 3.32Å; G751-D753 PolarHBondContact O-N 3.35Å; G751-L754 VanDerWaalsContact O-CB 3.29Å; G751-L754 WeakPolarHBondContact O-CB 3.29Å; G751-L754 PolarHBondContact O-N 3.35Å |
| 752 | K | 85.7 | Confident | 91.8 | Very high | 197 Ų | 197 | 63.3 Ų | 63.3 | 86% | 0.857 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -71.1 | -25.3 | 179.3 | -64.3 | -179 | -176 | 174.1 | 0 | 114 | G750 L754 | G750-K752 PolarHBondContact O-N 3.34Å; K752-L754 VanDerWaalsContact C-N 3.3Å |
| 753 | D | 85.4 | Confident | 91.7 | Very high | 157 Ų | 157 | 68.4 Ų | 68.4 | 84% | 0.84 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -90.5 | 0.7 | -179 | -57 | -38.2 | 0 | 0 | 0 | 111.8 | G750 G751 | G750-D753 PolarHBondContact O-N 2.88Å; G751-D753 VanDerWaalsContact C-N 3.32Å; G751-D753 PolarHBondContact O-N 3.35Å |
| 754 | L | 89.3 | Confident | 91.7 | Very high | 12 Ų | 12 | 67.2 Ų | 67.2 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -66.5 | 146.1 | 173.9 | -174.6 | 62.7 | 0 | 0 | 0 | 110.9 | M696 F746 M749 G751 K752 L756 A758 L762 | M696-L754 HydrophobicContact CB-CD1 3.73Å; M696-L754 HydrophobicContact CG-CD1 3.85Å; F746-L754 HydrophobicContact CD2-CD2 3.86Å; F746-L754 HydrophobicContact CE2-CD2 3.85Å; M749-L754 HydrophobicContact CB-CD1 4.15Å; M749-L754 HydrophobicContact CB-CD2 4.42Å; M749-L754 HydrophobicContact CE-CD1 4.49Å; G751-L754 VanDerWaalsContact O-CB 3.29Å; G751-L754 WeakPolarHBondContact O-CB 3.29Å; G751-L754 PolarHBondContact O-N 3.35Å; K752-L754 VanDerWaalsContact C-N 3.3Å; L754-L756 PolarHBondContact O-N 3.07Å; L754-A758 HydrophobicContact CD1-CB 4.33Å; L754-A758 HydrophobicContact CD2-CB 4.16Å; L754-A758 HydrophobicContact CG-CB 4.1Å; L754-L762 HydrophobicContact CD2-CD1 3.97Å |
| 755 | N | 89.1 | Confident | 91.8 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | trans | -46.7 | 133.3 | 172 | 176.6 | -81.3 | 0 | 0 | 0 | 111.6 | E757 A758 S759 | N755-E757 VanDerWaalsContact C-N 3.34Å; N755-E757 PolarHBondContact O-N 3.49Å; N755-E757 WeakPolarHBondContact OD1-CB 3.48Å; N755-E757 PolarHBondContact OD1-N 2.83Å; N755-A758 HydrophobicContact CB-CB 4.25Å; N755-A758 PolarHBondContact O-N 2.88Å; N755-A758 VanDerWaalsContact O-N 3.14Å; N755-A758 PolarHBondContact OD1-N 3.3Å; N755-S759 WeakPolarHBondContact O-CB 3.48Å; N755-S759 PolarHBondContact O-N 2.83Å | ||
| 756 | L | 89.6 | Confident | 91.9 | Very high | 132 Ų | 132 | 62.9 Ų | 62.9 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.1 | -44.5 | -173.5 | -73 | 172.3 | 0 | 0 | 0 | 112.8 | L754 A758 S759 D760 | L754-L756 PolarHBondContact O-N 3.07Å; L756-A758 PolarHBondContact O-N 3.22Å; L756-S759 PolarHBondContact O-N 3.24Å; L756-D760 WeakPolarHBondContact O-CB 3.47Å; L756-D760 PolarHBondContact O-N 3.05Å |
| 757 | E | 91 | Very high | 91.9 | Very high | 115 Ų | 115 | 66.6 Ų | 66.6 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | -179.7 | -62 | -175.4 | -159.6 | 0 | 0 | 111.9 | K697 N755 F761 | K697-E757 WeakPolarHBondContact CD-OE2 3.44Å; K697-E757 WeakPolarHBondContact CE-OE2 3.44Å; K697-E757 IonicContact NZ-OE1 3.86Å; K697-E757 IonicContact NZ-OE2 3.01Å; K697-E757 PolarHBondContact NZ-OE2 3.27Å; N755-E757 VanDerWaalsContact C-N 3.34Å; N755-E757 PolarHBondContact O-N 3.49Å; N755-E757 WeakPolarHBondContact OD1-CB 3.48Å; N755-E757 PolarHBondContact OD1-N 2.83Å; E757-F761 WeakPolarHBondContact O-CB 3.49Å; E757-F761 PolarHBondContact O-N 2.68Å |
| 758 | A | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K697 A700 L754 N755 L756 F761 L762 | K697-A758 HydrophobicContact CB-CB 4.48Å; A700-A758 HydrophobicContact CB-CB 4.14Å; L754-A758 HydrophobicContact CD1-CB 4.33Å; L754-A758 HydrophobicContact CD2-CB 4.16Å; L754-A758 HydrophobicContact CG-CB 4.1Å; N755-A758 HydrophobicContact CB-CB 4.25Å; N755-A758 PolarHBondContact O-N 2.88Å; N755-A758 VanDerWaalsContact O-N 3.14Å; N755-A758 PolarHBondContact OD1-N 3.3Å; L756-A758 PolarHBondContact O-N 3.22Å; A758-F761 PolarHBondContact O-N 3.38Å; A758-L762 VanDerWaalsContact O-CG 3.32Å; A758-L762 WeakPolarHBondContact O-CG 3.42Å; A758-L762 PolarHBondContact O-N 3.16Å |
| 759 | S | 93.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 175.5 | 147 | 0 | 0 | 0 | 0 | 111.6 | N755 L756 F761 L762 K763 | N755-S759 WeakPolarHBondContact O-CB 3.48Å; N755-S759 PolarHBondContact O-N 2.83Å; L756-S759 PolarHBondContact O-N 3.24Å; S759-F761 VanDerWaalsContact C-N 3.32Å; S759-F761 PolarHBondContact O-N 3.18Å; S759-L762 PolarHBondContact O-N 3.41Å; S759-K763 WeakPolarHBondContact O-CG 3.3Å; S759-K763 PolarHBondContact O-N 3.17Å; S759-K763 WeakPolarHBondContact OG-CE 3.14Å; S759-K763 PolarHBondContact OG-NZ 3.25Å |
| 760 | D | 93.2 | Very high | 92.3 | Very high | 89 Ų | 89 | 63.7 Ų | 63.7 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | -176.3 | -71.1 | -11.1 | 0 | 0 | 0 | 111.1 | L756 K763 E764 | L756-D760 WeakPolarHBondContact O-CB 3.47Å; L756-D760 PolarHBondContact O-N 3.05Å; D760-K763 PolarHBondContact O-N 3Å; D760-K763 IonicContact OD1-NZ 3.52Å; D760-E764 WeakPolarHBondContact O-CB 3.29Å; D760-E764 PolarHBondContact O-N 2.84Å |
| 761 | F | 94.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 172.6 | -175.1 | -94 | 0 | 0 | 0 | 112.5 | A700 K701 E757 A758 S759 K763 E764 L765 | A700-F761 HydrophobicContact CB-CD1 4.2Å; A700-F761 VanDerWaalsContact O-CE1 3.23Å; A700-F761 WeakPolarHBondContact O-CE1 3.46Å; K701-F761 HydrophobicContact CG-CZ 4.42Å; E757-F761 WeakPolarHBondContact O-CB 3.49Å; E757-F761 PolarHBondContact O-N 2.68Å; A758-F761 PolarHBondContact O-N 3.38Å; S759-F761 VanDerWaalsContact C-N 3.32Å; S759-F761 PolarHBondContact O-N 3.18Å; F761-K763 PolarHBondContact O-N 2.98Å; F761-E764 PolarHBondContact O-N 2.94Å; F761-L765 WeakPolarHBondContact O-CB 3.49Å; F761-L765 PolarHBondContact O-N 3.43Å |
| 762 | L | 94.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.4 | -33.5 | 178.7 | -65.8 | 174 | 0 | 0 | 0 | 112.3 | A700 I703 L742 F746 M749 L754 A758 S759 L765 Q766 | A700-L762 HydrophobicContact CB-CD1 4.27Å; A700-L762 HydrophobicContact CB-CD2 3.98Å; A700-L762 HydrophobicContact CB-CG 3.99Å; I703-L762 HydrophobicContact CB-CD2 4.44Å; I703-L762 HydrophobicContact CG2-CD2 4.31Å; L742-L762 HydrophobicContact CD1-CD2 4Å; F746-L762 HydrophobicContact CB-CD1 4.49Å; F746-L762 HydrophobicContact CD2-CB 4.34Å; F746-L762 HydrophobicContact CD2-CD1 3.92Å; M749-L762 HydrophobicContact CE-CD1 4.38Å; M749-L762 HydrophobicContact SD-CD1 4.2Å; L754-L762 HydrophobicContact CD2-CD1 3.97Å; A758-L762 VanDerWaalsContact O-CG 3.32Å; A758-L762 WeakPolarHBondContact O-CG 3.42Å; A758-L762 PolarHBondContact O-N 3.16Å; S759-L762 PolarHBondContact O-N 3.41Å; L762-L765 HydrophobicContact CD2-CD2 4.26Å; L762-L765 WeakPolarHBondContact O-CB 3.31Å; L762-L765 PolarHBondContact O-N 2.84Å; L762-Q766 WeakPolarHBondContact O-CG 3.21Å; L762-Q766 PolarHBondContact O-N 3.23Å |
| 763 | K | 93.8 | Very high | 93.1 | Very high | 108 Ų | 108 | 57.1 Ų | 57.1 | 47% | 0.47 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 171.5 | -71.8 | 170.7 | -172.6 | 160.9 | 0 | 111.9 | S759 D760 F761 L765 Q766 N767 | S759-K763 WeakPolarHBondContact O-CG 3.3Å; S759-K763 PolarHBondContact O-N 3.17Å; S759-K763 WeakPolarHBondContact OG-CE 3.14Å; S759-K763 PolarHBondContact OG-NZ 3.25Å; D760-K763 PolarHBondContact O-N 3Å; D760-K763 IonicContact OD1-NZ 3.52Å; F761-K763 PolarHBondContact O-N 2.98Å; K763-L765 VanDerWaalsContact C-N 3.32Å; K763-Q766 WeakPolarHBondContact O-CB 3.42Å; K763-Q766 PolarHBondContact O-N 3.43Å; K763-N767 PolarHBondContact O-N 3.22Å; K763-N767 VanDerWaalsContact O-N 3.15Å; K763-N767 PolarHBondContact O-ND2 2.91Å |
| 764 | E | 95.1 | Very high | 93.4 | Very high | 94 Ų | 94 | 52 Ų | 52 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 173.4 | -165.1 | -167.7 | 150.1 | 0 | 0 | 111 | D760 F761 Q766 N767 K768 | D760-E764 WeakPolarHBondContact O-CB 3.29Å; D760-E764 PolarHBondContact O-N 2.84Å; F761-E764 PolarHBondContact O-N 2.94Å; E764-Q766 PolarHBondContact O-N 3.32Å; E764-N767 WeakPolarHBondContact O-CB 3.48Å; E764-N767 PolarHBondContact O-N 3.46Å; E764-N767 VanDerWaalsContact O-N 3.13Å; E764-K768 PolarHBondContact O-N 3.19Å; E764-K768 WeakPolarHBondContact OE1-CE 3.48Å; E764-K768 IonicContact OE1-NZ 2.75Å; E764-K768 PolarHBondContact OE1-NZ 2.87Å |
| 765 | L | 96.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 174 | 179 | 63.7 | 0 | 0 | 0 | 112.1 | I703 G704 L707 L708 L742 F761 L762 K763 N767 K768 L769 | I703-L765 HydrophobicContact CG2-CD2 4.21Å; G704-L765 VanDerWaalsContact CA-CD2 3.5Å; L707-L765 HydrophobicContact CD1-CD2 4.23Å; L708-L765 HydrophobicContact CD1-CD1 4.05Å; L708-L765 HydrophobicContact CD2-CD1 3.77Å; L708-L765 HydrophobicContact CG-CD1 3.57Å; L742-L765 HydrophobicContact CD1-CD2 4.01Å; L742-L765 HydrophobicContact CD2-CB 4.35Å; L742-L765 HydrophobicContact CD2-CD2 3.65Å; L742-L765 HydrophobicContact CD2-CG 3.76Å; F761-L765 WeakPolarHBondContact O-CB 3.49Å; F761-L765 PolarHBondContact O-N 3.43Å; L762-L765 HydrophobicContact CD2-CD2 4.26Å; L762-L765 WeakPolarHBondContact O-CB 3.31Å; L762-L765 PolarHBondContact O-N 2.84Å; K763-L765 VanDerWaalsContact C-N 3.32Å; L765-N767 VanDerWaalsContact C-N 3.26Å; L765-N767 PolarHBondContact O-N 3.2Å; L765-K768 PolarHBondContact O-N 3.47Å; L765-L769 HydrophobicContact CD1-CG 4.38Å; L765-L769 HydrophobicContact CG-CD1 4.36Å; L765-L769 WeakPolarHBondContact O-CG 3.49Å; L765-L769 PolarHBondContact O-N 3.45Å |
| 766 | Q | 95.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -40.9 | 172.9 | -80.4 | -71.9 | -5.9 | 0 | 0 | 112.3 | R739 L742 L762 K763 E764 N770 | R739-Q766 PolarHBondContact O-NE2 2.9Å; L742-Q766 HydrophobicContact CD2-CG 3.81Å; L742-Q766 HydrophobicContact CG-CG 4.36Å; L762-Q766 WeakPolarHBondContact O-CG 3.21Å; L762-Q766 PolarHBondContact O-N 3.23Å; K763-Q766 WeakPolarHBondContact O-CB 3.42Å; K763-Q766 PolarHBondContact O-N 3.43Å; E764-Q766 PolarHBondContact O-N 3.32Å; Q766-N770 VanDerWaalsContact O-CB 3.26Å; Q766-N770 WeakPolarHBondContact O-CB 3.41Å; Q766-N770 PolarHBondContact O-N 3.07Å |
| 767 | N | 95.1 | Very high | 94 | Very high | 111 Ų | 111 | 46 Ų | 46 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -69.2 | -40 | 177 | -69.5 | -30 | 0 | 0 | 0 | 112.2 | K763 E764 L765 N770 S771 | K763-N767 PolarHBondContact O-N 3.22Å; K763-N767 VanDerWaalsContact O-N 3.15Å; K763-N767 PolarHBondContact O-ND2 2.91Å; E764-N767 WeakPolarHBondContact O-CB 3.48Å; E764-N767 PolarHBondContact O-N 3.46Å; E764-N767 VanDerWaalsContact O-N 3.13Å; L765-N767 VanDerWaalsContact C-N 3.26Å; L765-N767 PolarHBondContact O-N 3.2Å; N767-N770 WeakPolarHBondContact O-CB 3.19Å; N767-N770 PolarHBondContact O-N 3.04Å; N767-S771 PolarHBondContact O-N 3.4Å |
| 768 | K | 95.3 | Very high | 94 | Very high | 85 Ų | 85 | 45.1 Ų | 45.1 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -48.7 | 175.2 | -72.9 | 175 | -177.8 | 163.8 | 0 | 111.6 | L708 E764 L765 N770 S771 V772 | L708-K768 HydrophobicContact CD1-CD 4.32Å; L708-K768 HydrophobicContact CD2-CB 4.03Å; L708-K768 HydrophobicContact CD2-CD 4.33Å; E764-K768 PolarHBondContact O-N 3.19Å; E764-K768 WeakPolarHBondContact OE1-CE 3.48Å; E764-K768 IonicContact OE1-NZ 2.75Å; E764-K768 PolarHBondContact OE1-NZ 2.87Å; L765-K768 PolarHBondContact O-N 3.47Å; K768-N770 VanDerWaalsContact C-N 3.26Å; K768-N770 PolarHBondContact O-N 3.37Å; K768-S771 WeakPolarHBondContact O-CB 3.41Å; K768-S771 PolarHBondContact O-N 3.18Å; K768-S771 VanDerWaalsContact O-N 3.11Å; K768-V772 WeakPolarHBondContact O-CG2 3.46Å; K768-V772 PolarHBondContact O-N 2.95Å |
| 769 | L | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -35.8 | 175.6 | -67.8 | 176 | 0 | 0 | 0 | 112.1 | L707 A711 L738 R739 L742 L765 V772 M773 | L707-L769 HydrophobicContact CD1-CD1 4.39Å; A711-L769 HydrophobicContact CB-CD2 3.99Å; L738-L769 HydrophobicContact CB-CD1 4.31Å; L738-L769 HydrophobicContact CD1-CD2 4.36Å; R739-L769 HydrophobicContact CG-CB 3.67Å; R739-L769 HydrophobicContact CG-CD1 4.16Å; L742-L769 HydrophobicContact CD2-CD1 3.87Å; L765-L769 HydrophobicContact CD1-CG 4.38Å; L765-L769 HydrophobicContact CG-CD1 4.36Å; L765-L769 WeakPolarHBondContact O-CG 3.49Å; L765-L769 PolarHBondContact O-N 3.45Å; L769-V772 PolarHBondContact O-N 3.48Å; L769-M773 PolarHBondContact O-N 3.12Å; L769-M773 VanDerWaalsContact O-N 3.07Å |
| 770 | N | 94 | Very high | 93.9 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 173.5 | -177.5 | 83.2 | 0 | 0 | 0 | 112.1 | R739 Q766 N767 K768 M773 D774 R846 | R739-N770 PolarHBondContact NH2-OD1 2.94Å; Q766-N770 VanDerWaalsContact O-CB 3.26Å; Q766-N770 WeakPolarHBondContact O-CB 3.41Å; Q766-N770 PolarHBondContact O-N 3.07Å; N767-N770 WeakPolarHBondContact O-CB 3.19Å; N767-N770 PolarHBondContact O-N 3.04Å; K768-N770 VanDerWaalsContact C-N 3.26Å; K768-N770 PolarHBondContact O-N 3.37Å; N770-M773 PolarHBondContact O-N 3.48Å; N770-D774 PolarHBondContact O-N 3.44Å; N770-D774 VanDerWaalsContact O-N 3.13Å; N770-R846 PolarHBondContact OD1-NH1 2.81Å; N770-R846 PolarHBondContact OD1-NH2 2.9Å |
| 771 | S | 94.8 | Very high | 93.8 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 42% | 0.42 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.6 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | N767 K768 M773 D774 D775 | N767-S771 PolarHBondContact O-N 3.4Å; K768-S771 WeakPolarHBondContact O-CB 3.41Å; K768-S771 PolarHBondContact O-N 3.18Å; K768-S771 VanDerWaalsContact O-N 3.11Å; S771-M773 VanDerWaalsContact C-N 3.29Å; S771-M773 PolarHBondContact O-N 3.28Å; S771-D774 WeakPolarHBondContact O-CB 3.45Å; S771-D774 PolarHBondContact O-N 2.94Å; S771-D774 VanDerWaalsContact O-N 3.08Å; S771-D775 PolarHBondContact O-N 3.37Å |
| 772 | V | 94.6 | Very high | 93.6 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | A711 K768 L769 D774 D775 L776 | A711-V772 HydrophobicContact CB-CG1 4.24Å; A711-V772 HydrophobicContact CB-CG2 4.34Å; K768-V772 WeakPolarHBondContact O-CG2 3.46Å; K768-V772 PolarHBondContact O-N 2.95Å; L769-V772 PolarHBondContact O-N 3.48Å; V772-D774 VanDerWaalsContact C-N 3.31Å; V772-D774 PolarHBondContact O-N 2.87Å; V772-D775 PolarHBondContact O-N 3.42Å; V772-L776 HydrophobicContact CG1-CD1 4.18Å; V772-L776 HydrophobicContact CG1-CG 4.19Å; V772-L776 VanDerWaalsContact O-CG 3.32Å; V772-L776 WeakPolarHBondContact O-CG 3.17Å; V772-L776 PolarHBondContact O-N 3.16Å |
| 773 | M | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -37.2 | 176.8 | -179.4 | 178.8 | 42.2 | 0 | 0 | 112.8 | I732 I735 Q736 L769 N770 S771 S777 T842 V843 | I732-M773 HydrophobicContact CG2-CG 3.82Å; I735-M773 HydrophobicContact CG2-CB 3.94Å; Q736-M773 HydrophobicContact CB-SD 4Å; L769-M773 PolarHBondContact O-N 3.12Å; L769-M773 VanDerWaalsContact O-N 3.07Å; N770-M773 PolarHBondContact O-N 3.48Å; S771-M773 VanDerWaalsContact C-N 3.29Å; S771-M773 PolarHBondContact O-N 3.28Å; M773-S777 WeakPolarHBondContact O-CB 3.46Å; M773-S777 PolarHBondContact O-N 3.49Å; M773-S777 PolarHBondContact O-OG 3.39Å; M773-T842 HydrophobicContact CE-CG2 4.32Å; M773-V843 HydrophobicContact SD-CG2 4.23Å |
| 774 | D | 91.3 | Very high | 93.2 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -44 | 173.6 | -78.5 | -39 | 0 | 0 | 0 | 111.5 | N770 S771 V772 S777 R778 R846 | N770-D774 PolarHBondContact O-N 3.44Å; N770-D774 VanDerWaalsContact O-N 3.13Å; S771-D774 WeakPolarHBondContact O-CB 3.45Å; S771-D774 PolarHBondContact O-N 2.94Å; S771-D774 VanDerWaalsContact O-N 3.08Å; V772-D774 VanDerWaalsContact C-N 3.31Å; V772-D774 PolarHBondContact O-N 2.87Å; D774-S777 PolarHBondContact O-N 3.46Å; D774-R778 WeakPolarHBondContact O-CB 3.38Å; D774-R778 PolarHBondContact O-N 2.99Å; D774-R846 IonicContact OD1-CZ 2.61Å; D774-R846 IonicContact OD1-NE 2.6Å; D774-R846 IonicContact OD1-NH1 3.07Å; D774-R846 PolarHBondContact OD1-NH1 2.76Å; D774-R846 IonicContact OD2-NH1 3.29Å; D774-R846 PolarHBondContact OD2-NH1 2.82Å |
| 775 | D | 92.9 | Very high | 92.8 | Very high | 75 Ų | 75 | 41.1 Ų | 41.1 | 40% | 0.401 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67 | -43.1 | 179.2 | -67.1 | -31.8 | 0 | 0 | 0 | 112.2 | S771 V772 S777 R778 I779 | S771-D775 PolarHBondContact O-N 3.37Å; V772-D775 PolarHBondContact O-N 3.42Å; D775-S777 VanDerWaalsContact C-N 3.34Å; D775-S777 PolarHBondContact O-N 2.85Å; D775-R778 WeakPolarHBondContact O-CB 3.38Å; D775-R778 PolarHBondContact O-N 3Å; D775-I779 WeakPolarHBondContact O-CG1 3.45Å; D775-I779 PolarHBondContact O-N 3.06Å |
| 776 | L | 93.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 174.4 | -62.8 | -175.9 | 0 | 0 | 0 | 111.6 | I714 A715 F718 I732 I735 V772 R778 I779 F780 | I714-L776 HydrophobicContact CG2-CD1 4.08Å; A715-L776 HydrophobicContact CB-CD2 4.29Å; F718-L776 HydrophobicContact CB-CD2 3.83Å; F718-L776 HydrophobicContact CD1-CB 4.47Å; F718-L776 HydrophobicContact CD1-CD2 3.79Å; F718-L776 HydrophobicContact CD2-CD2 4.19Å; F718-L776 HydrophobicContact CE1-CB 4.21Å; F718-L776 HydrophobicContact CE1-CD2 4.37Å; F718-L776 VanDerWaalsContact CE1-O 3.28Å; F718-L776 WeakPolarHBondContact CE1-O 3.42Å; F718-L776 HydrophobicContact CG-CD2 3.69Å; F718-L776 HydrophobicContact CZ-CB 4.26Å; I732-L776 HydrophobicContact CG1-CB 4.03Å; I735-L776 HydrophobicContact CG1-CD1 3.81Å; V772-L776 HydrophobicContact CG1-CD1 4.18Å; V772-L776 HydrophobicContact CG1-CG 4.19Å; V772-L776 VanDerWaalsContact O-CG 3.32Å; V772-L776 WeakPolarHBondContact O-CG 3.17Å; V772-L776 PolarHBondContact O-N 3.16Å; L776-R778 VanDerWaalsContact C-N 3.31Å; L776-R778 PolarHBondContact O-N 3.32Å; L776-I779 PolarHBondContact O-N 3.43Å; L776-F780 WeakPolarHBondContact O-CB 3.44Å; L776-F780 PolarHBondContact O-N 3.1Å |
| 777 | S | 92.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 176.7 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | M773 D774 D775 F780 A781 | M773-S777 WeakPolarHBondContact O-CB 3.46Å; M773-S777 PolarHBondContact O-N 3.49Å; M773-S777 PolarHBondContact O-OG 3.39Å; D774-S777 PolarHBondContact O-N 3.46Å; D775-S777 VanDerWaalsContact C-N 3.34Å; D775-S777 PolarHBondContact O-N 2.85Å; S777-F780 PolarHBondContact O-N 2.85Å; S777-A781 WeakPolarHBondContact O-CB 3.43Å; S777-A781 PolarHBondContact O-N 3.42Å |
| 778 | R | 91.5 | Very high | 91.9 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 36% | 0.362 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.6 | -49.7 | 174.7 | -173.6 | -170.2 | -48.7 | -62.7 | -3.4 | 111.6 | D774 D775 L776 F780 A781 V782 E850 | D774-R778 WeakPolarHBondContact O-CB 3.38Å; D774-R778 PolarHBondContact O-N 2.99Å; D775-R778 WeakPolarHBondContact O-CB 3.38Å; D775-R778 PolarHBondContact O-N 3Å; L776-R778 VanDerWaalsContact C-N 3.31Å; L776-R778 PolarHBondContact O-N 3.32Å; R778-F780 VanDerWaalsContact C-N 3.25Å; R778-F780 PolarHBondContact O-N 2.99Å; R778-A781 PolarHBondContact O-N 3.26Å; R778-V782 HydrophobicContact CG-CG2 4.43Å; R778-V782 WeakPolarHBondContact O-CB 3.49Å; R778-V782 VanDerWaalsContact O-CG2 3.3Å; R778-V782 WeakPolarHBondContact O-CG2 3.44Å; R778-V782 PolarHBondContact O-N 3.46Å; R778-E850 HydrophobicContact CB-CG 4.5Å; R778-E850 IonicContact CZ-OE1 3.71Å; R778-E850 VanDerWaalsContact NH1-CD 3.28Å; R778-E850 IonicContact NH1-OE1 2.78Å; R778-E850 PolarHBondContact NH1-OE1 3.41Å; R778-E850 IonicContact NH1-OE2 3.4Å; R778-E850 PolarHBondContact NH1-OE2 2.9Å; R778-E850 IonicContact NH2-OE1 2.61Å |
| 779 | I | 91.7 | Very high | 91.6 | Very high | 69 Ų | 69 | 42 Ų | 42 | 35% | 0.354 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 178 | -67.6 | 165.5 | 0 | 0 | 0 | 110.1 | F718 V722 D775 L776 S783 | F718-I779 HydrophobicContact CD1-CB 4.22Å; F718-I779 HydrophobicContact CD1-CG2 3.86Å; F718-I779 HydrophobicContact CE1-CB 4.15Å; F718-I779 HydrophobicContact CE1-CG2 4.02Å; V722-I779 HydrophobicContact CG2-CG2 4.19Å; D775-I779 WeakPolarHBondContact O-CG1 3.45Å; D775-I779 PolarHBondContact O-N 3.06Å; L776-I779 PolarHBondContact O-N 3.43Å; I779-S783 PolarHBondContact O-N 3.41Å |
| 780 | F | 92.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 177.1 | -174.2 | -124.2 | 0 | 0 | 0 | 112.3 | F718 P728 I732 L776 S777 R778 S783 F784 F835 V847 | F718-F780 HydrophobicContact CE1-CB 4.11Å; F718-F780 HydrophobicContact CZ-CB 4.05Å; P728-F780 HydrophobicContact CB-CD2 3.55Å; P728-F780 HydrophobicContact CB-CE2 3.55Å; P728-F780 HydrophobicContact CB-CG 4.34Å; P728-F780 HydrophobicContact CB-CZ 4.31Å; P728-F780 HydrophobicContact CG-CD2 4.15Å; P728-F780 HydrophobicContact CG-CE2 3.91Å; I732-F780 HydrophobicContact CD1-CB 4.25Å; I732-F780 HydrophobicContact CD1-CD1 4.43Å; I732-F780 HydrophobicContact CD1-CG 4.47Å; L776-F780 WeakPolarHBondContact O-CB 3.44Å; L776-F780 PolarHBondContact O-N 3.1Å; S777-F780 PolarHBondContact O-N 2.85Å; R778-F780 VanDerWaalsContact C-N 3.25Å; R778-F780 PolarHBondContact O-N 2.99Å; F780-S783 VanDerWaalsContact O-CB 3.3Å; F780-S783 WeakPolarHBondContact O-CB 3.3Å; F780-S783 PolarHBondContact O-N 3.28Å; F780-S783 PolarHBondContact O-OG 3Å; F780-F784 HydrophobicContact CD1-CE2 4.39Å; F780-F784 HydrophobicContact CD2-CE2 4.22Å; F780-F784 AromaticContact CE1-CE2 3.99Å; F780-F784 HydrophobicContact CE1-CE2 3.99Å; F780-F784 AromaticContact CE2-CE2 3.79Å; F780-F784 HydrophobicContact CE2-CE2 3.79Å; F780-F784 HydrophobicContact CE2-CZ 4.04Å; F780-F784 AromaticContact CZ-CE2 3.67Å; F780-F784 HydrophobicContact CZ-CE2 3.67Å; F780-F784 AromaticContact CZ-CZ 3.89Å; F780-F784 HydrophobicContact CZ-CZ 3.89Å; F780-F784 WeakPolarHBondContact O-CD2 3.4Å; F780-F835 HydrophobicContact CE1-CD1 4.43Å; F780-F835 AromaticContact CE1-CE1 3.87Å; F780-F835 HydrophobicContact CE1-CE1 3.87Å; F780-F835 HydrophobicContact CE1-CE2 4.36Å; F780-F835 AromaticContact CE1-CZ 3.83Å; F780-F835 HydrophobicContact CE1-CZ 3.83Å; F780-F835 AromaticContact CZ-CE1 3.66Å; F780-F835 HydrophobicContact CZ-CE1 3.66Å; F780-F835 AromaticContact CZ-CZ 3.78Å; F780-F835 HydrophobicContact CZ-CZ 3.78Å; F780-V847 HydrophobicContact CD1-CG1 3.93Å; F780-V847 HydrophobicContact CD1-CG2 4.01Å; F780-V847 HydrophobicContact CE1-CG1 4.05Å |
| 781 | A | 90.4 | Very high | 91 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S777 R778 S783 F784 E850 L851 L854 | S777-A781 WeakPolarHBondContact O-CB 3.43Å; S777-A781 PolarHBondContact O-N 3.42Å; R778-A781 PolarHBondContact O-N 3.26Å; A781-S783 PolarHBondContact O-N 2.69Å; A781-F784 PolarHBondContact O-N 3.09Å; A781-F784 VanDerWaalsContact O-N 3.09Å; A781-E850 HydrophobicContact CB-CB 3.51Å; A781-L851 HydrophobicContact CB-CD2 4.03Å; A781-L851 HydrophobicContact CB-CG 4.22Å; A781-L854 WeakPolarHBondContact O-CD2 3.21Å |
| 782 | V | 90.3 | Very high | 90.7 | Very high | 69 Ų | 69 | 41 Ų | 41 | 42% | 0.418 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.3 | -26.3 | 178 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | R778 F784 Q785 | R778-V782 HydrophobicContact CG-CG2 4.43Å; R778-V782 WeakPolarHBondContact O-CB 3.49Å; R778-V782 VanDerWaalsContact O-CG2 3.3Å; R778-V782 WeakPolarHBondContact O-CG2 3.44Å; R778-V782 PolarHBondContact O-N 3.46Å; V782-F784 PolarHBondContact O-N 2.72Å; V782-Q785 WeakPolarHBondContact O-CB 3.17Å; V782-Q785 PolarHBondContact O-N 3.37Å |
| 783 | S | 90.6 | Very high | 90.3 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.5 | 176 | 81.9 | 0 | 0 | 0 | 0 | 114.3 | V722 I779 F780 A781 Q785 | V722-S783 WeakPolarHBondContact CG1-OG 3.28Å; I779-S783 PolarHBondContact O-N 3.41Å; F780-S783 VanDerWaalsContact O-CB 3.3Å; F780-S783 WeakPolarHBondContact O-CB 3.3Å; F780-S783 PolarHBondContact O-N 3.28Å; F780-S783 PolarHBondContact O-OG 3Å; A781-S783 PolarHBondContact O-N 2.69Å; S783-Q785 VanDerWaalsContact C-N 3.35Å |
| 784 | F | 89.8 | Confident | 89.9 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4.2 | 176.1 | -61.8 | -76.9 | 0 | 0 | 0 | 112.9 | F780 A781 V782 Q787 I788 F827 F835 L851 | F780-F784 HydrophobicContact CD1-CE2 4.39Å; F780-F784 HydrophobicContact CD2-CE2 4.22Å; F780-F784 AromaticContact CE1-CE2 3.99Å; F780-F784 HydrophobicContact CE1-CE2 3.99Å; F780-F784 AromaticContact CE2-CE2 3.79Å; F780-F784 HydrophobicContact CE2-CE2 3.79Å; F780-F784 HydrophobicContact CE2-CZ 4.04Å; F780-F784 AromaticContact CZ-CE2 3.67Å; F780-F784 HydrophobicContact CZ-CE2 3.67Å; F780-F784 AromaticContact CZ-CZ 3.89Å; F780-F784 HydrophobicContact CZ-CZ 3.89Å; F780-F784 WeakPolarHBondContact O-CD2 3.4Å; A781-F784 PolarHBondContact O-N 3.09Å; A781-F784 VanDerWaalsContact O-N 3.09Å; V782-F784 PolarHBondContact O-N 2.72Å; F784-Q787 PolarHBondContact O-N 2.93Å; F784-Q787 VanDerWaalsContact O-N 3.16Å; F784-I788 HydrophobicContact CB-CD1 3.89Å; F784-I788 HydrophobicContact CB-CG1 4.42Å; F784-I788 WeakPolarHBondContact O-CG1 3.38Å; F784-I788 PolarHBondContact O-N 3.13Å; F784-F827 HydrophobicContact CB-CE2 4.19Å; F784-F827 HydrophobicContact CB-CZ 3.86Å; F784-F827 AromaticContact CD1-CE2 3.65Å; F784-F827 HydrophobicContact CD1-CE2 3.65Å; F784-F827 AromaticContact CD1-CZ 3.96Å; F784-F827 HydrophobicContact CD1-CZ 3.96Å; F784-F827 HydrophobicContact CE1-CE2 4.39Å; F784-F827 HydrophobicContact CG-CE2 4.17Å; F784-F827 HydrophobicContact CG-CZ 4.01Å; F784-F835 AromaticContact CE2-CZ 3.94Å; F784-F835 HydrophobicContact CE2-CZ 3.94Å; F784-F835 AromaticContact CZ-CZ 3.68Å; F784-F835 HydrophobicContact CZ-CZ 3.68Å; F784-L851 HydrophobicContact CB-CD2 4.29Å; F784-L851 HydrophobicContact CD2-CD2 4.12Å |
| 785 | Q | 88.2 | Confident | 89.7 | Confident | 64 Ų | 64 | 47 Ų | 47 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -54.4 | -46.3 | -178.2 | -174.7 | 173.7 | -17.1 | 0 | 0 | 113.3 | V782 S783 Q787 I788 E789 L854 | V782-Q785 WeakPolarHBondContact O-CB 3.17Å; V782-Q785 PolarHBondContact O-N 3.37Å; S783-Q785 VanDerWaalsContact C-N 3.35Å; Q785-Q787 VanDerWaalsContact C-N 3.3Å; Q785-Q787 PolarHBondContact O-N 3.38Å; Q785-I788 PolarHBondContact O-N 2.99Å; Q785-E789 HydrophobicContact CG-CG 4.22Å; Q785-E789 WeakPolarHBondContact CG-OE1 3.34Å; Q785-E789 PolarHBondContact NE2-OE1 3.36Å; Q785-E789 WeakPolarHBondContact O-CB 3.44Å; Q785-E789 WeakPolarHBondContact O-CG 3.49Å; Q785-E789 PolarHBondContact O-N 3.07Å; Q785-L854 HydrophobicContact CB-CD1 4.24Å; Q785-L854 HydrophobicContact CB-CD2 3.86Å; Q785-L854 HydrophobicContact CB-CG 4.47Å; Q785-L854 HydrophobicContact CG-CD1 3.93Å; Q785-L854 HydrophobicContact CG-CD2 4.39Å; Q785-L854 HydrophobicContact CG-CG 4.48Å |
| 786 | P | 88.8 | Confident | 89.3 | Confident | 89 Ų | 89 | 44.3 Ų | 44.3 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.3 | -37.5 | 179.8 | -22.5 | 34.7 | 0 | 0 | 0 | 112.9 | D790 | P786-D790 PolarHBondContact O-N 3.43Å; P786-D790 VanDerWaalsContact O-N 3.11Å |
| 787 | Q | 88.1 | Confident | 88.8 | Confident | 91 Ų | 91 | 48.8 Ų | 48.8 | 43% | 0.425 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.8 | -41.7 | 178 | -172.9 | 175.9 | 12.3 | 0 | 0 | 111.4 | F784 Q785 D790 N791 F827 | F784-Q787 PolarHBondContact O-N 2.93Å; F784-Q787 VanDerWaalsContact O-N 3.16Å; Q785-Q787 VanDerWaalsContact C-N 3.3Å; Q785-Q787 PolarHBondContact O-N 3.38Å; Q787-D790 PolarHBondContact O-N 3.08Å; Q787-N791 WeakPolarHBondContact O-CB 3.49Å; Q787-N791 PolarHBondContact O-N 3.45Å; Q787-N791 PolarHBondContact O-ND2 3.21Å; Q787-N791 PolarHBondContact O-OD1 3.29Å; Q787-F827 VanDerWaalsContact CD-CD2 3.49Å; Q787-F827 HydrophobicContact CG-CD2 4.08Å; Q787-F827 HydrophobicContact CG-CE2 4.43Å |
| 788 | I | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 176.3 | -69 | 164.3 | 0 | 0 | 0 | 110.6 | F784 Q785 D790 N791 V792 F827 L851 L854 V855 T858 | F784-I788 HydrophobicContact CB-CD1 3.89Å; F784-I788 HydrophobicContact CB-CG1 4.42Å; F784-I788 WeakPolarHBondContact O-CG1 3.38Å; F784-I788 PolarHBondContact O-N 3.13Å; Q785-I788 PolarHBondContact O-N 2.99Å; I788-D790 VanDerWaalsContact C-N 3.35Å; I788-D790 PolarHBondContact O-N 3.42Å; I788-N791 PolarHBondContact O-N 2.96Å; I788-V792 HydrophobicContact CG2-CG2 4.19Å; I788-V792 WeakPolarHBondContact O-CB 3.24Å; I788-V792 WeakPolarHBondContact O-CG2 3.48Å; I788-V792 PolarHBondContact O-N 2.93Å; I788-F827 HydrophobicContact CD1-CE1 3.94Å; I788-F827 HydrophobicContact CD1-CZ 3.99Å; I788-F827 HydrophobicContact CG1-CD1 4.3Å; I788-F827 HydrophobicContact CG1-CE1 3.7Å; I788-F827 HydrophobicContact CG1-CZ 3.86Å; I788-L851 HydrophobicContact CD1-CD2 4.09Å; I788-L854 HydrophobicContact CD1-CD2 3.74Å; I788-L854 HydrophobicContact CD1-CG 4.25Å; I788-V855 HydrophobicContact CD1-CG2 4.31Å; I788-V855 HydrophobicContact CG2-CG2 4.07Å; I788-T858 HydrophobicContact CG2-CG2 4.37Å |
| 789 | E | 88.6 | Confident | 88 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61 | -41.9 | 175.2 | -77 | 175.3 | -177.1 | 0 | 0 | 112.3 | Q785 R793 T858 | Q785-E789 HydrophobicContact CG-CG 4.22Å; Q785-E789 WeakPolarHBondContact CG-OE1 3.34Å; Q785-E789 PolarHBondContact NE2-OE1 3.36Å; Q785-E789 WeakPolarHBondContact O-CB 3.44Å; Q785-E789 WeakPolarHBondContact O-CG 3.49Å; Q785-E789 PolarHBondContact O-N 3.07Å; E789-R793 WeakPolarHBondContact O-CB 3.47Å; E789-R793 PolarHBondContact O-N 3.19Å; E789-T858 HydrophobicContact CB-CG2 4.33Å; E789-T858 HydrophobicContact CG-CG2 3.73Å |
| 790 | D | 88.3 | Confident | 87.4 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67 | -46 | 176.4 | -163.2 | 62.3 | 0 | 0 | 0 | 112 | P786 Q787 I788 V792 R793 Q794 | P786-D790 PolarHBondContact O-N 3.43Å; P786-D790 VanDerWaalsContact O-N 3.11Å; Q787-D790 PolarHBondContact O-N 3.08Å; I788-D790 VanDerWaalsContact C-N 3.35Å; I788-D790 PolarHBondContact O-N 3.42Å; D790-V792 PolarHBondContact O-N 2.96Å; D790-R793 WeakPolarHBondContact O-CB 3.28Å; D790-R793 PolarHBondContact O-N 2.91Å; D790-R793 IonicContact OD1-NH1 2.71Å; D790-R793 PolarHBondContact OD1-NH1 3.02Å; D790-Q794 WeakPolarHBondContact O-CG 3.39Å; D790-Q794 PolarHBondContact O-N 3.36Å; D790-Q794 PolarHBondContact OD2-NE2 3.19Å |
| 791 | N | 89.3 | Confident | 86.7 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 9% | 0.086 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 176.2 | -68.1 | -14.3 | 0 | 0 | 0 | 111.1 | Q787 I788 R793 Q794 M795 P823 I824 F827 | Q787-N791 WeakPolarHBondContact O-CB 3.49Å; Q787-N791 PolarHBondContact O-N 3.45Å; Q787-N791 PolarHBondContact O-ND2 3.21Å; Q787-N791 PolarHBondContact O-OD1 3.29Å; I788-N791 PolarHBondContact O-N 2.96Å; N791-R793 VanDerWaalsContact C-N 3.31Å; N791-R793 PolarHBondContact O-N 3.37Å; N791-Q794 WeakPolarHBondContact O-CB 3.33Å; N791-Q794 PolarHBondContact O-N 3.37Å; N791-M795 VanDerWaalsContact O-CG 3.27Å; N791-M795 WeakPolarHBondContact O-CG 3.48Å; N791-M795 PolarHBondContact O-N 2.98Å; N791-P823 HydrophobicContact CB-CB 4.45Å; N791-P823 PolarHBondContact ND2-O 3.4Å; N791-I824 HydrophobicContact CB-CB 4.43Å; N791-F827 WeakPolarHBondContact ND2-CB 3.43Å |
| 792 | V | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -33.4 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | I788 D790 M795 G796 I824 T858 M859 T862 I863 | I788-V792 HydrophobicContact CG2-CG2 4.19Å; I788-V792 WeakPolarHBondContact O-CB 3.24Å; I788-V792 WeakPolarHBondContact O-CG2 3.48Å; I788-V792 PolarHBondContact O-N 2.93Å; D790-V792 PolarHBondContact O-N 2.96Å; V792-M795 HydrophobicContact CG2-SD 4.2Å; V792-M795 WeakPolarHBondContact O-CB 3.45Å; V792-M795 PolarHBondContact O-N 3.41Å; V792-G796 PolarHBondContact O-N 3.33Å; V792-I824 HydrophobicContact CG2-CD1 4Å; V792-T858 HydrophobicContact CB-CG2 3.89Å; V792-T858 HydrophobicContact CG1-CG2 4.02Å; V792-T858 HydrophobicContact CG2-CG2 3.99Å; V792-M859 HydrophobicContact CG1-CB 4.49Å; V792-M859 HydrophobicContact CG1-CG 4.01Å; V792-M859 HydrophobicContact CG2-CG 3.97Å; V792-T862 HydrophobicContact CG1-CG2 4.25Å; V792-I863 HydrophobicContact CG1-CD1 3.69Å; V792-I863 HydrophobicContact CG1-CG1 3.81Å |
| 793 | R | 85.6 | Confident | 85.1 | Confident | 123 Ų | 123 | 60 Ų | 60 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 172.1 | -173.4 | -173.1 | -60.5 | 126.4 | 2 | 111 | E789 D790 N791 M795 G796 D797 T862 | E789-R793 WeakPolarHBondContact O-CB 3.47Å; E789-R793 PolarHBondContact O-N 3.19Å; D790-R793 WeakPolarHBondContact O-CB 3.28Å; D790-R793 PolarHBondContact O-N 2.91Å; D790-R793 IonicContact OD1-NH1 2.71Å; D790-R793 PolarHBondContact OD1-NH1 3.02Å; N791-R793 VanDerWaalsContact C-N 3.31Å; N791-R793 PolarHBondContact O-N 3.37Å; R793-M795 VanDerWaalsContact C-N 3.31Å; R793-M795 PolarHBondContact O-N 3.08Å; R793-G796 WeakPolarHBondContact O-CA 3.29Å; R793-G796 PolarHBondContact O-N 3.23Å; R793-D797 PolarHBondContact O-N 3.42Å; R793-T862 HydrophobicContact CB-CG2 4.46Å |
| 794 | Q | 85.8 | Confident | 83.8 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 175.9 | -64.5 | 176.4 | 30.5 | 0 | 0 | 111.9 | D790 N791 G796 D797 I798 P823 | D790-Q794 WeakPolarHBondContact O-CG 3.39Å; D790-Q794 PolarHBondContact O-N 3.36Å; D790-Q794 PolarHBondContact OD2-NE2 3.19Å; N791-Q794 WeakPolarHBondContact O-CB 3.33Å; N791-Q794 PolarHBondContact O-N 3.37Å; Q794-G796 VanDerWaalsContact C-N 3.29Å; Q794-G796 PolarHBondContact O-N 3Å; Q794-D797 PolarHBondContact O-N 3.16Å; Q794-I798 WeakPolarHBondContact O-CG1 3.28Å; Q794-I798 PolarHBondContact O-N 3.16Å; Q794-P823 HydrophobicContact CB-CB 4.09Å; Q794-P823 HydrophobicContact CB-CG 4.03Å |
| 795 | M | 88.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58 | -42.6 | 172.1 | -60.9 | 175.1 | 62.5 | 0 | 0 | 111.4 | N791 V792 R793 I798 L799 V820 L821 P823 I824 M859 I863 | N791-M795 VanDerWaalsContact O-CG 3.27Å; N791-M795 WeakPolarHBondContact O-CG 3.48Å; N791-M795 PolarHBondContact O-N 2.98Å; V792-M795 HydrophobicContact CG2-SD 4.2Å; V792-M795 WeakPolarHBondContact O-CB 3.45Å; V792-M795 PolarHBondContact O-N 3.41Å; R793-M795 VanDerWaalsContact C-N 3.31Å; R793-M795 PolarHBondContact O-N 3.08Å; M795-I798 PolarHBondContact O-N 3.23Å; M795-L799 WeakPolarHBondContact O-CB 3.43Å; M795-L799 PolarHBondContact O-N 3.45Å; M795-V820 HydrophobicContact CB-CG1 4.26Å; M795-V820 WeakPolarHBondContact CB-O 3.38Å; M795-V820 HydrophobicContact CE-CG1 4.22Å; M795-V820 WeakPolarHBondContact CG-O 3.32Å; M795-L821 HydrophobicContact CE-CD2 3.97Å; M795-P823 HydrophobicContact CG-CB 4.38Å; M795-P823 HydrophobicContact CG-CG 4.37Å; M795-I824 HydrophobicContact CE-CG2 4.01Å; M795-I824 HydrophobicContact SD-CB 3.66Å; M795-I824 HydrophobicContact SD-CD1 4.14Å; M795-I824 HydrophobicContact SD-CG2 3.51Å; M795-I824 VanDerWaalsContact SD-CG2 3.51Å; M795-M859 HydrophobicContact CE-CE 3.95Å; M795-I863 HydrophobicContact CB-CD1 4.01Å |
| 796 | G | 83.6 | Confident | 80.4 | Confident | 19 Ų | 19 | 69 Ų | 69 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V792 R793 Q794 L799 A800 | V792-G796 PolarHBondContact O-N 3.33Å; R793-G796 WeakPolarHBondContact O-CA 3.29Å; R793-G796 PolarHBondContact O-N 3.23Å; Q794-G796 VanDerWaalsContact C-N 3.29Å; Q794-G796 PolarHBondContact O-N 3Å; G796-L799 WeakPolarHBondContact O-CB 3.43Å; G796-L799 PolarHBondContact O-N 3.45Å; G796-A800 PolarHBondContact O-N 3.48Å |
| 797 | D | 82.6 | Confident | 78.9 | Confident | 95 Ų | 95 | 69.1 Ų | 69.1 | 51% | 0.508 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 178 | -65.1 | -27.9 | 0 | 0 | 0 | 112 | R793 Q794 A800 | R793-D797 PolarHBondContact O-N 3.42Å; Q794-D797 PolarHBondContact O-N 3.16Å; D797-A800 PolarHBondContact O-N 2.92Å |
| 798 | I | 84.5 | Confident | 77.4 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 174.9 | -63 | 166.2 | 0 | 0 | 0 | 110.2 | Q794 M795 A800 Q801 V820 P823 | Q794-I798 WeakPolarHBondContact O-CG1 3.28Å; Q794-I798 PolarHBondContact O-N 3.16Å; M795-I798 PolarHBondContact O-N 3.23Å; I798-A800 VanDerWaalsContact C-N 3.28Å; I798-A800 PolarHBondContact O-N 3.31Å; I798-Q801 WeakPolarHBondContact O-CB 3.48Å; I798-Q801 PolarHBondContact O-N 3.46Å; I798-Q801 VanDerWaalsContact O-N 3.09Å; I798-V820 HydrophobicContact CB-CG2 4.44Å; I798-V820 HydrophobicContact CG2-CG2 3.85Å; I798-P823 HydrophobicContact CD1-CG 3.84Å |
| 799 | L | 83.3 | Confident | 75.6 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61 | -36.4 | 177.3 | -176.1 | 72.6 | 0 | 0 | 0 | 112.1 | M795 G796 Q801 V802 V820 I863 L902 Q906 V909 I910 | M795-L799 WeakPolarHBondContact O-CB 3.43Å; M795-L799 PolarHBondContact O-N 3.45Å; G796-L799 WeakPolarHBondContact O-CB 3.43Å; G796-L799 PolarHBondContact O-N 3.45Å; L799-Q801 PolarHBondContact O-N 3Å; L799-V802 WeakPolarHBondContact O-CB 3.4Å; L799-V802 PolarHBondContact O-N 3.45Å; L799-V802 VanDerWaalsContact O-N 3.15Å; L799-V820 HydrophobicContact CB-CG2 4.28Å; L799-V820 HydrophobicContact CD1-CG2 4.25Å; L799-I863 HydrophobicContact CD2-CG2 3.6Å; L799-L902 HydrophobicContact CD2-CD2 3.99Å; L799-Q906 HydrophobicContact CD1-CB 4.03Å; L799-Q906 HydrophobicContact CD1-CG 4.05Å; L799-Q906 HydrophobicContact CG-CB 4.34Å; L799-Q906 HydrophobicContact CG-CG 4.21Å; L799-Q906 PolarHBondContact O-NE2 3.17Å; L799-V909 HydrophobicContact CD1-CB 4.29Å; L799-V909 HydrophobicContact CD1-CG1 4.02Å; L799-I910 HydrophobicContact CD1-CG1 4.13Å; L799-I910 HydrophobicContact CD2-CD1 3.41Å; L799-I910 VanDerWaalsContact CD2-CD1 3.41Å; L799-I910 HydrophobicContact CD2-CG1 3.75Å |
| 800 | A | 78.3 | Confident | 74 | Confident | 69 Ų | 69 | 76.8 Ų | 76.8 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63 | -22.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G796 D797 I798 | G796-A800 PolarHBondContact O-N 3.48Å; D797-A800 PolarHBondContact O-N 2.92Å; I798-A800 VanDerWaalsContact C-N 3.28Å; I798-A800 PolarHBondContact O-N 3.31Å |
| 801 | Q | 79.2 | Confident | 72.6 | Confident | 146 Ų | 146 | 76 Ų | 76 | 68% | 0.682 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -13.2 | 178.8 | -60.5 | 175.5 | 24.1 | 0 | 0 | 113.1 | I798 L799 K803 | I798-Q801 WeakPolarHBondContact O-CB 3.48Å; I798-Q801 PolarHBondContact O-N 3.46Å; I798-Q801 VanDerWaalsContact O-N 3.09Å; L799-Q801 PolarHBondContact O-N 3Å; Q801-K803 PolarHBondContact O-N 3.1Å |
| 802 | V | 78.9 | Confident | 71.6 | Confident | 19 Ų | 19 | 77.3 Ų | 77.3 | 12% | 0.115 | 45% | 0.445 | C | S | . | . | trans | -71.1 | 113.2 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | L799 E816 K905 Q906 | L799-V802 WeakPolarHBondContact O-CB 3.4Å; L799-V802 PolarHBondContact O-N 3.45Å; L799-V802 VanDerWaalsContact O-N 3.15Å; V802-E816 WeakPolarHBondContact CG1-OE2 3.48Å; V802-K905 HydrophobicContact CG1-CD 4.22Å; V802-K905 HydrophobicContact CG1-CG 4.42Å; V802-Q906 HydrophobicContact CB-CG 4.11Å; V802-Q906 HydrophobicContact CG1-CG 4.33Å | ||
| 803 | K | 68 | Low | 70.7 | Confident | 182 Ų | 182 | 78.1 Ų | 78.1 | 79% | 0.791 | 45% | 0.45 | S | S | * | . | trans | -110.2 | 140.7 | 180 | -65.2 | 178.3 | -175.4 | 174.7 | 0 | 112 | Q801 K905 | Q801-K803 PolarHBondContact O-N 3.1Å; K803-K905 PolarHBondContact O-NZ 2.91Å | ||
| 804 | G | 61.9 | Low | 70.2 | Confident | 36 Ų | 36 | 75.5 Ų | 75.5 | 37% | 0.371 | 45% | 0.447 | S | S | . | . | trans | 142.4 | 133.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 805 | Q | 51 | Low | 69.9 | Low | 177 Ų | 177 | 77.9 Ų | 77.9 | 83% | 0.827 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -89.6 | -17.4 | -177.6 | -78.8 | 179.4 | -16.4 | 0 | 0 | 114.3 | ||
| 806 | T | 56 | Low | 69.5 | Low | 116 Ų | 116 | 79.9 Ų | 79.9 | 71% | 0.712 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -117.5 | 139.8 | -178.3 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | P808 | T806-P808 VanDerWaalsContact O-CD 3.22Å; T806-P808 WeakPolarHBondContact O-CD 3.46Å |
| 807 | V | 57 | Low | 69.5 | Low | 90 Ų | 90 | 79 Ų | 79 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | trans | -77.9 | 112 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 808 | P | 56.9 | Low | 69.5 | Low | 64 Ų | 64 | 78.3 Ų | 78.3 | 42% | 0.416 | 45% | 0.454 | S | S | . | . | trans | -80.1 | 160.6 | 175.5 | -4.4 | 24 | 0 | 0 | 0 | 111 | T806 N810 | T806-P808 VanDerWaalsContact O-CD 3.22Å; T806-P808 WeakPolarHBondContact O-CD 3.46Å; P808-N810 PolarHBondContact O-N 2.86Å | ||
| 809 | A | 52.3 | Low | 69.5 | Low | 99 Ų | 99 | 80.2 Ų | 80.2 | 82% | 0.818 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -63.6 | 116.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | G811 | A809-G811 VanDerWaalsContact C-N 3.32Å; A809-G811 PolarHBondContact O-N 3.09Å |
| 810 | N | 55.7 | Low | 69.6 | Low | 158 Ų | 158 | 80.1 Ų | 80.1 | 85% | 0.845 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 42.4 | 5.1 | 153.6 | -73.3 | 2.5 | 0 | 0 | 0 | 123.4 | P808 | P808-N810 PolarHBondContact O-N 2.86Š|
| 811 | G | 58.4 | Low | 70.1 | Confident | 48 Ų | 48 | 76.9 Ų | 76.9 | 50% | 0.495 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -108.9 | -54.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A809 | A809-G811 VanDerWaalsContact C-N 3.32Å; A809-G811 PolarHBondContact O-N 3.09Å |
| 812 | S | 66.9 | Low | 70.5 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 31% | 0.308 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -76 | -28.5 | -169.3 | 92.9 | 0 | 0 | 0 | 0 | 114 | V814 E816 | S812-V814 VanDerWaalsContact C-N 3.33Å; S812-V814 PolarHBondContact O-N 2.97Å; S812-E816 WeakPolarHBondContact O-CB 3.46Å; S812-E816 VanDerWaalsContact O-CG 3.25Å; S812-E816 WeakPolarHBondContact O-CG 3.48Å; S812-E816 PolarHBondContact O-N 2.77Å; S812-E816 VanDerWaalsContact O-N 3.08Å |
| 813 | V | 70.1 | Confident | 70.9 | Confident | 17 Ų | 17 | 74.7 Ų | 74.7 | 10% | 0.103 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.2 | -31.4 | -177 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | A817 V909 | V813-A817 WeakPolarHBondContact O-CB 3.4Å; V813-A817 PolarHBondContact O-N 2.91Å; V813-V909 HydrophobicContact CG1-CG2 3.87Å |
| 814 | V | 76.6 | Confident | 71.9 | Confident | 67 Ų | 67 | 66 Ų | 66 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.9 | -49.5 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | S812 E816 A817 D818 L912 | S812-V814 VanDerWaalsContact C-N 3.33Å; S812-V814 PolarHBondContact O-N 2.97Å; V814-E816 VanDerWaalsContact C-N 3.32Å; V814-E816 PolarHBondContact O-N 3.02Å; V814-A817 WeakPolarHBondContact O-CB 3.24Å; V814-A817 PolarHBondContact O-N 3.31Å; V814-A817 VanDerWaalsContact O-N 3.13Å; V814-D818 PolarHBondContact O-N 3.33Å; V814-L912 HydrophobicContact CB-CD2 4.19Å; V814-L912 HydrophobicContact CG1-CD2 4.47Å; V814-L912 HydrophobicContact CG2-CD2 3.89Å |
| 815 | Q | 78.8 | Confident | 73 | Confident | 132 Ų | 132 | 65.1 Ų | 65.1 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.4 | -36.7 | 178.1 | -169.9 | 177.5 | 7.5 | 0 | 0 | 112.3 | N819 | Q815-N819 PolarHBondContact O-N 2.98Å; Q815-N819 VanDerWaalsContact O-N 3.09Å; Q815-N819 PolarHBondContact O-ND2 3.41Å |
| 816 | E | 80 | Confident | 74.6 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.3 | -37 | 173.5 | -73.4 | 169.1 | -172.3 | 0 | 0 | 111.9 | V802 S812 V814 V820 K905 V909 | V802-E816 WeakPolarHBondContact CG1-OE2 3.48Å; S812-E816 WeakPolarHBondContact O-CB 3.46Å; S812-E816 VanDerWaalsContact O-CG 3.25Å; S812-E816 WeakPolarHBondContact O-CG 3.48Å; S812-E816 PolarHBondContact O-N 2.77Å; S812-E816 VanDerWaalsContact O-N 3.08Å; V814-E816 VanDerWaalsContact C-N 3.32Å; V814-E816 PolarHBondContact O-N 3.02Å; E816-V820 VanDerWaalsContact O-CG2 3.25Å; E816-V820 WeakPolarHBondContact O-CG2 3.42Å; E816-V820 PolarHBondContact O-N 3.25Å; E816-K905 IonicContact OE1-NZ 3.58Å; E816-K905 PolarHBondContact OE1-NZ 2.9Å; E816-K905 WeakPolarHBondContact OE2-CE 3.21Å; E816-K905 IonicContact OE2-NZ 2.85Å; E816-K905 PolarHBondContact OE2-NZ 3.07Å; E816-K905 VanDerWaalsContact OE2-NZ 3.16Å; E816-V909 HydrophobicContact CB-CG2 4.09Å |
| 817 | A | 82.8 | Confident | 76 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V813 V814 N819 V820 L821 V909 L912 | V813-A817 WeakPolarHBondContact O-CB 3.4Å; V813-A817 PolarHBondContact O-N 2.91Å; V814-A817 WeakPolarHBondContact O-CB 3.24Å; V814-A817 PolarHBondContact O-N 3.31Å; V814-A817 VanDerWaalsContact O-N 3.13Å; A817-N819 PolarHBondContact O-N 2.68Å; A817-V820 PolarHBondContact O-N 2.98Å; A817-L821 WeakPolarHBondContact O-CB 3.44Å; A817-L821 VanDerWaalsContact O-CG 3.26Å; A817-L821 WeakPolarHBondContact O-CG 3.41Å; A817-L821 PolarHBondContact O-N 3.37Å; A817-V909 HydrophobicContact CB-CG1 4.16Å; A817-L912 HydrophobicContact CB-CB 4.21Å; A817-L912 HydrophobicContact CB-CD2 3.83Å; A817-L912 HydrophobicContact CB-CG 4.1Å |
| 818 | D | 83.8 | Confident | 77.2 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 175.9 | -68.5 | -23.8 | 0 | 0 | 0 | 111.3 | V814 V820 L821 Q822 | V814-D818 PolarHBondContact O-N 3.33Å; D818-V820 PolarHBondContact O-N 2.66Å; D818-L821 PolarHBondContact O-N 2.84Å; D818-Q822 PolarHBondContact O-N 3.12Å; D818-Q822 VanDerWaalsContact O-N 3.13Å |
| 819 | N | 84.1 | Confident | 78.5 | Confident | 92 Ų | 92 | 52.3 Ų | 52.3 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.2 | -70.3 | -20.2 | 0 | 0 | 0 | 112.6 | Q815 A817 L821 | Q815-N819 PolarHBondContact O-N 2.98Å; Q815-N819 VanDerWaalsContact O-N 3.09Å; Q815-N819 PolarHBondContact O-ND2 3.41Å; A817-N819 PolarHBondContact O-N 2.68Å; N819-L821 VanDerWaalsContact C-N 3.29Å; N819-L821 PolarHBondContact O-N 2.68Å |
| 820 | V | 85.4 | Confident | 80 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.7 | -32.4 | 176.5 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | M795 I798 L799 E816 A817 D818 V909 | M795-V820 HydrophobicContact CB-CG1 4.26Å; M795-V820 WeakPolarHBondContact CB-O 3.38Å; M795-V820 HydrophobicContact CE-CG1 4.22Å; M795-V820 WeakPolarHBondContact CG-O 3.32Å; I798-V820 HydrophobicContact CB-CG2 4.44Å; I798-V820 HydrophobicContact CG2-CG2 3.85Å; L799-V820 HydrophobicContact CB-CG2 4.28Å; L799-V820 HydrophobicContact CD1-CG2 4.25Å; E816-V820 VanDerWaalsContact O-CG2 3.25Å; E816-V820 WeakPolarHBondContact O-CG2 3.42Å; E816-V820 PolarHBondContact O-N 3.25Å; A817-V820 PolarHBondContact O-N 2.98Å; D818-V820 PolarHBondContact O-N 2.66Å; V820-V909 HydrophobicContact CB-CG1 4.47Å; V820-V909 HydrophobicContact CG2-CG1 4.06Å |
| 821 | L | 87.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79.8 | -24.2 | -178.5 | -76 | 174.3 | 0 | 0 | 0 | 114.5 | M795 A817 D818 N819 P823 I824 M825 A913 T916 I917 | M795-L821 HydrophobicContact CE-CD2 3.97Å; A817-L821 WeakPolarHBondContact O-CB 3.44Å; A817-L821 VanDerWaalsContact O-CG 3.26Å; A817-L821 WeakPolarHBondContact O-CG 3.41Å; A817-L821 PolarHBondContact O-N 3.37Å; D818-L821 PolarHBondContact O-N 2.84Å; N819-L821 VanDerWaalsContact C-N 3.29Å; N819-L821 PolarHBondContact O-N 2.68Å; L821-P823 VanDerWaalsContact C-CD 3.42Å; L821-P823 VanDerWaalsContact O-N 3.13Å; L821-I824 HydrophobicContact CD2-CG2 4.24Å; L821-I824 VanDerWaalsContact O-CG2 3.27Å; L821-I824 WeakPolarHBondContact O-CG2 3.47Å; L821-I824 PolarHBondContact O-N 3.36Å; L821-M825 HydrophobicContact CB-CG 3.75Å; L821-M825 WeakPolarHBondContact O-CG 3.49Å; L821-M825 PolarHBondContact O-N 3.48Å; L821-A913 HydrophobicContact CD1-CB 4.1Å; L821-A913 HydrophobicContact CD2-CB 3.76Å; L821-A913 HydrophobicContact CG-CB 3.8Å; L821-T916 HydrophobicContact CD1-CG2 3.66Å; L821-I917 HydrophobicContact CD2-CD1 3.6Å; L821-I917 HydrophobicContact CD2-CG1 3.51Å |
| 822 | Q | 87.3 | Confident | 82.7 | Confident | 102 Ų | 102 | 43.8 Ų | 43.8 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -46.8 | -47.5 | -171.2 | -167.2 | 66.9 | 36.3 | 0 | 0 | 114.6 | D818 I824 M825 D826 | D818-Q822 PolarHBondContact O-N 3.12Å; D818-Q822 VanDerWaalsContact O-N 3.13Å; Q822-I824 VanDerWaalsContact C-N 3.31Å; Q822-I824 PolarHBondContact O-N 3.13Å; Q822-M825 PolarHBondContact O-N 3.19Å; Q822-M825 VanDerWaalsContact O-N 3.17Å; Q822-D826 PolarHBondContact NE2-OD1 2.93Å; Q822-D826 PolarHBondContact O-N 3.45Å |
| 823 | P | 88.6 | Confident | 83.5 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -35.8 | -177.4 | -23.9 | 35.1 | 0 | 0 | 0 | 114.2 | N791 Q794 M795 I798 L821 | N791-P823 HydrophobicContact CB-CB 4.45Å; N791-P823 PolarHBondContact ND2-O 3.4Å; Q794-P823 HydrophobicContact CB-CB 4.09Å; Q794-P823 HydrophobicContact CB-CG 4.03Å; M795-P823 HydrophobicContact CG-CB 4.38Å; M795-P823 HydrophobicContact CG-CG 4.37Å; I798-P823 HydrophobicContact CD1-CG 3.84Å; L821-P823 VanDerWaalsContact C-CD 3.42Å; L821-P823 VanDerWaalsContact O-N 3.13Å |
| 824 | I | 88.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -85 | -28.6 | 178.3 | -160.3 | 162.7 | 0 | 0 | 0 | 111.9 | N791 V792 M795 L821 Q822 F827 L828 V855 | N791-I824 HydrophobicContact CB-CB 4.43Å; V792-I824 HydrophobicContact CG2-CD1 4Å; M795-I824 HydrophobicContact CE-CG2 4.01Å; M795-I824 HydrophobicContact SD-CB 3.66Å; M795-I824 HydrophobicContact SD-CD1 4.14Å; M795-I824 HydrophobicContact SD-CG2 3.51Å; M795-I824 VanDerWaalsContact SD-CG2 3.51Å; L821-I824 HydrophobicContact CD2-CG2 4.24Å; L821-I824 VanDerWaalsContact O-CG2 3.27Å; L821-I824 WeakPolarHBondContact O-CG2 3.47Å; L821-I824 PolarHBondContact O-N 3.36Å; Q822-I824 VanDerWaalsContact C-N 3.31Å; Q822-I824 PolarHBondContact O-N 3.13Å; I824-F827 WeakPolarHBondContact O-CB 3.45Å; I824-F827 PolarHBondContact O-N 3.44Å; I824-L828 HydrophobicContact CG1-CD1 4.21Å; I824-L828 HydrophobicContact CG1-CG 4.27Å; I824-L828 VanDerWaalsContact O-CG 3.23Å; I824-L828 WeakPolarHBondContact O-CG 3.4Å; I824-L828 PolarHBondContact O-N 2.99Å; I824-V855 HydrophobicContact CD1-CG1 3.61Å; I824-V855 HydrophobicContact CD1-CG2 4.1Å |
| 825 | M | 85.3 | Confident | 84.9 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | -179.1 | -65.5 | -78.6 | -90.5 | 0 | 0 | 111.7 | L821 Q822 F827 L828 D829 T916 Y920 | L821-M825 HydrophobicContact CB-CG 3.75Å; L821-M825 WeakPolarHBondContact O-CG 3.49Å; L821-M825 PolarHBondContact O-N 3.48Å; Q822-M825 PolarHBondContact O-N 3.19Å; Q822-M825 VanDerWaalsContact O-N 3.17Å; M825-F827 VanDerWaalsContact C-N 3.27Å; M825-F827 PolarHBondContact O-N 2.83Å; M825-L828 PolarHBondContact O-N 2.89Å; M825-L828 VanDerWaalsContact O-N 3.12Å; M825-D829 WeakPolarHBondContact O-CB 3.47Å; M825-D829 PolarHBondContact O-N 3.25Å; M825-T916 HydrophobicContact CE-CG2 3.88Å; M825-Y920 HydrophobicContact CE-CD1 4.31Å; M825-Y920 HydrophobicContact CE-CD2 3.83Å; M825-Y920 HydrophobicContact CE-CE1 3.71Å; M825-Y920 HydrophobicContact CE-CE2 3.2Å; M825-Y920 HydrophobicContact CE-CG 4.36Å; M825-Y920 VanDerWaalsContact CE-OH 3.28Å; M825-Y920 WeakPolarHBondContact CE-OH 3.33Å; M825-Y920 HydrophobicContact SD-CD1 4Å; M825-Y920 HydrophobicContact SD-CD2 4.02Å; M825-Y920 HydrophobicContact SD-CE1 3.89Å; M825-Y920 HydrophobicContact SD-CE2 3.98Å; M825-Y920 HydrophobicContact SD-CG 4.05Å |
| 826 | D | 84.3 | Confident | 85.3 | Confident | 95 Ų | 95 | 39 Ų | 39 | 51% | 0.508 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.9 | -39.5 | 175 | -68.6 | -17.1 | 0 | 0 | 0 | 111.8 | Q822 S830 | Q822-D826 PolarHBondContact NE2-OD1 2.93Å; Q822-D826 PolarHBondContact O-N 3.45Å; D826-S830 PolarHBondContact O-N 2.87Å |
| 827 | F | 84.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -45.1 | 173.9 | 166.5 | -98 | 0 | 0 | 0 | 112.2 | F784 Q787 I788 N791 I824 M825 N831 | F784-F827 HydrophobicContact CB-CE2 4.19Å; F784-F827 HydrophobicContact CB-CZ 3.86Å; F784-F827 AromaticContact CD1-CE2 3.65Å; F784-F827 HydrophobicContact CD1-CE2 3.65Å; F784-F827 AromaticContact CD1-CZ 3.96Å; F784-F827 HydrophobicContact CD1-CZ 3.96Å; F784-F827 HydrophobicContact CE1-CE2 4.39Å; F784-F827 HydrophobicContact CG-CE2 4.17Å; F784-F827 HydrophobicContact CG-CZ 4.01Å; Q787-F827 VanDerWaalsContact CD-CD2 3.49Å; Q787-F827 HydrophobicContact CG-CD2 4.08Å; Q787-F827 HydrophobicContact CG-CE2 4.43Å; I788-F827 HydrophobicContact CD1-CE1 3.94Å; I788-F827 HydrophobicContact CD1-CZ 3.99Å; I788-F827 HydrophobicContact CG1-CD1 4.3Å; I788-F827 HydrophobicContact CG1-CE1 3.7Å; I788-F827 HydrophobicContact CG1-CZ 3.86Å; N791-F827 WeakPolarHBondContact ND2-CB 3.43Å; I824-F827 WeakPolarHBondContact O-CB 3.45Å; I824-F827 PolarHBondContact O-N 3.44Å; M825-F827 VanDerWaalsContact C-N 3.27Å; M825-F827 PolarHBondContact O-N 2.83Å; F827-N831 WeakPolarHBondContact CD2-ND2 3.34Å; F827-N831 VanDerWaalsContact CE2-ND2 3.3Å; F827-N831 WeakPolarHBondContact CE2-ND2 3.33Å; F827-N831 WeakPolarHBondContact O-CB 3.36Å; F827-N831 PolarHBondContact O-N 2.98Å; F827-N831 PolarHBondContact O-ND2 3.25Å |
| 828 | L | 83.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -44.5 | -178.4 | -69.2 | 174.4 | 0 | 0 | 0 | 111.3 | I824 M825 L832 F921 | I824-L828 HydrophobicContact CG1-CD1 4.21Å; I824-L828 HydrophobicContact CG1-CG 4.27Å; I824-L828 VanDerWaalsContact O-CG 3.23Å; I824-L828 WeakPolarHBondContact O-CG 3.4Å; I824-L828 PolarHBondContact O-N 2.99Å; M825-L828 PolarHBondContact O-N 2.89Å; M825-L828 VanDerWaalsContact O-N 3.12Å; L828-L832 HydrophobicContact CB-CD1 3.83Å; L828-L832 HydrophobicContact CD2-CD1 3.38Å; L828-L832 HydrophobicContact CG-CD1 4.2Å; L828-L832 WeakPolarHBondContact O-CB 3.34Å; L828-L832 WeakPolarHBondContact O-CD1 3.44Å; L828-L832 PolarHBondContact O-N 3.02Å; L828-F921 HydrophobicContact CD1-CE2 4.01Å; L828-F921 HydrophobicContact CD2-CE2 3.56Å; L828-F921 HydrophobicContact CD2-CZ 3.67Å; L828-F921 HydrophobicContact CG-CE2 4.48Å |
| 829 | D | 83.5 | Confident | 86.2 | Confident | 75 Ų | 75 | 42.4 Ų | 42.4 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -44.5 | -177.3 | -87.1 | -30.2 | 0 | 0 | 0 | 112.6 | M825 S833 Y920 | M825-D829 WeakPolarHBondContact O-CB 3.47Å; M825-D829 PolarHBondContact O-N 3.25Å; D829-S833 WeakPolarHBondContact O-CB 3.2Å; D829-S833 PolarHBondContact O-N 3.29Å; D829-S833 PolarHBondContact O-OG 2.78Å; D829-Y920 VanDerWaalsContact OD1-CE1 3.23Å; D829-Y920 WeakPolarHBondContact OD1-CE1 3.28Å |
| 830 | S | 84.1 | Confident | 86.5 | Confident | 77 Ų | 77 | 40.4 Ų | 40.4 | 54% | 0.538 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.3 | -49.9 | 179.3 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | D826 L834 | D826-S830 PolarHBondContact O-N 2.87Å; S830-L834 PolarHBondContact O-N 2.74Å |
| 831 | N | 85.3 | Confident | 86.6 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.7 | -42.5 | -172.4 | -69 | -71 | 0 | 0 | 0 | 113.4 | F827 S833 L834 F835 | F827-N831 WeakPolarHBondContact CD2-ND2 3.34Å; F827-N831 VanDerWaalsContact CE2-ND2 3.3Å; F827-N831 WeakPolarHBondContact CE2-ND2 3.33Å; F827-N831 WeakPolarHBondContact O-CB 3.36Å; F827-N831 PolarHBondContact O-N 2.98Å; F827-N831 PolarHBondContact O-ND2 3.25Å; N831-S833 VanDerWaalsContact C-N 3.33Å; N831-S833 PolarHBondContact O-N 3.1Å; N831-L834 PolarHBondContact O-N 2.78Å; N831-F835 HydrophobicContact CB-CE2 3.85Å; N831-F835 HydrophobicContact CB-CZ 3.96Å; N831-F835 WeakPolarHBondContact O-CD2 3.1Å; N831-F835 WeakPolarHBondContact O-CG 3.31Å; N831-F835 PolarHBondContact O-N 3Å |
| 832 | L | 84.6 | Confident | 86.8 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.12 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.6 | -36.5 | -179.8 | -79.7 | 82.4 | 0 | 0 | 0 | 111.5 | L828 L834 F835 A836 L848 | L828-L832 HydrophobicContact CB-CD1 3.83Å; L828-L832 HydrophobicContact CD2-CD1 3.38Å; L828-L832 HydrophobicContact CG-CD1 4.2Å; L828-L832 WeakPolarHBondContact O-CB 3.34Å; L828-L832 WeakPolarHBondContact O-CD1 3.44Å; L828-L832 PolarHBondContact O-N 3.02Å; L832-L834 VanDerWaalsContact C-N 3.33Å; L832-F835 PolarHBondContact O-N 3.02Å; L832-A836 VanDerWaalsContact O-CB 3.3Å; L832-A836 WeakPolarHBondContact O-CB 3.48Å; L832-A836 PolarHBondContact O-N 2.94Å; L832-L848 HydrophobicContact CD2-CD2 3.4Å; L832-L848 VanDerWaalsContact CD2-CD2 3.4Å; L832-L848 HydrophobicContact CG-CD2 3.71Å |
| 833 | S | 85.2 | Confident | 87 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 55% | 0.545 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | D829 N831 K837 | D829-S833 WeakPolarHBondContact O-CB 3.2Å; D829-S833 PolarHBondContact O-N 3.29Å; D829-S833 PolarHBondContact O-OG 2.78Å; N831-S833 VanDerWaalsContact C-N 3.33Å; N831-S833 PolarHBondContact O-N 3.1Å; S833-K837 PolarHBondContact O-N 2.89Å |
| 834 | L | 86.9 | Confident | 87.1 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -50.5 | 174.4 | 178.6 | 64.6 | 0 | 0 | 0 | 111.4 | E725 S830 N831 L832 A836 K837 I838 | E725-L834 HydrophobicContact CG-CD2 3.66Å; E725-L834 WeakPolarHBondContact OE1-CD2 3.39Å; S830-L834 PolarHBondContact O-N 2.74Å; N831-L834 PolarHBondContact O-N 2.78Å; L832-L834 VanDerWaalsContact C-N 3.33Å; L834-A836 VanDerWaalsContact C-N 3.29Å; L834-A836 PolarHBondContact O-N 2.87Å; L834-K837 WeakPolarHBondContact O-CB 3.42Å; L834-K837 PolarHBondContact O-N 3.11Å; L834-I838 HydrophobicContact CD1-CD1 4.17Å; L834-I838 HydrophobicContact CD1-CG2 4.15Å; L834-I838 HydrophobicContact CD2-CD1 4.4Å; L834-I838 HydrophobicContact CG-CD1 3.95Å; L834-I838 WeakPolarHBondContact O-CG1 3.24Å; L834-I838 PolarHBondContact O-N 3.49Å; L834-I838 VanDerWaalsContact O-N 3.09Å |
| 835 | F | 89.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -38.1 | -179.8 | -58.7 | -26 | 0 | 0 | 0 | 111.9 | F780 F784 N831 L832 K837 I838 C839 L844 V847 L851 | F780-F835 HydrophobicContact CE1-CD1 4.43Å; F780-F835 AromaticContact CE1-CE1 3.87Å; F780-F835 HydrophobicContact CE1-CE1 3.87Å; F780-F835 HydrophobicContact CE1-CE2 4.36Å; F780-F835 AromaticContact CE1-CZ 3.83Å; F780-F835 HydrophobicContact CE1-CZ 3.83Å; F780-F835 AromaticContact CZ-CE1 3.66Å; F780-F835 HydrophobicContact CZ-CE1 3.66Å; F780-F835 AromaticContact CZ-CZ 3.78Å; F780-F835 HydrophobicContact CZ-CZ 3.78Å; F784-F835 AromaticContact CE2-CZ 3.94Å; F784-F835 HydrophobicContact CE2-CZ 3.94Å; F784-F835 AromaticContact CZ-CZ 3.68Å; F784-F835 HydrophobicContact CZ-CZ 3.68Å; N831-F835 HydrophobicContact CB-CE2 3.85Å; N831-F835 HydrophobicContact CB-CZ 3.96Å; N831-F835 WeakPolarHBondContact O-CD2 3.1Å; N831-F835 WeakPolarHBondContact O-CG 3.31Å; N831-F835 PolarHBondContact O-N 3Å; L832-F835 PolarHBondContact O-N 3.02Å; F835-K837 PolarHBondContact O-N 2.71Å; F835-I838 PolarHBondContact O-N 3.42Å; F835-C839 WeakPolarHBondContact O-CB 3.46Å; F835-C839 PolarHBondContact O-N 3.01Å; F835-C839 PolarHBondContact O-SG 3.5Å; F835-L844 HydrophobicContact CB-CD1 3.7Å; F835-V847 HydrophobicContact CD2-CG1 4.27Å; F835-V847 HydrophobicContact CE2-CG1 4.41Å; F835-L851 HydrophobicContact CD2-CD1 4.45Å; F835-L851 HydrophobicContact CE2-CD1 4.04Å |
| 836 | A | 86.3 | Confident | 87.6 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -27.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L832 L834 L844 | L832-A836 VanDerWaalsContact O-CB 3.3Å; L832-A836 WeakPolarHBondContact O-CB 3.48Å; L832-A836 PolarHBondContact O-N 2.94Å; L834-A836 VanDerWaalsContact C-N 3.29Å; L834-A836 PolarHBondContact O-N 2.87Å; A836-L844 HydrophobicContact CB-CD2 4.25Å |
| 837 | K | 86.9 | Confident | 87.9 | Confident | 166 Ų | 166 | 43.8 Ų | 43.8 | 72% | 0.722 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -81.9 | -38.5 | 177.3 | -174.3 | 177.3 | -179.9 | 176.5 | 0 | 113.1 | S833 L834 F835 | S833-K837 PolarHBondContact O-N 2.89Å; L834-K837 WeakPolarHBondContact O-CB 3.42Å; L834-K837 PolarHBondContact O-N 3.11Å; F835-K837 PolarHBondContact O-N 2.71Å |
| 838 | I | 88.6 | Confident | 88.2 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -107.2 | -15 | -168.7 | 69.9 | 179.3 | 0 | 0 | 0 | 114.6 | K726 C729 N733 L834 F835 | K726-I838 HydrophobicContact CB-CD1 4.13Å; K726-I838 HydrophobicContact CG-CD1 4.04Å; C729-I838 HydrophobicContact CB-CD1 3.7Å; C729-I838 HydrophobicContact CB-CG1 3.8Å; N733-I838 PolarHBondContact ND2-O 3.27Å; L834-I838 HydrophobicContact CD1-CD1 4.17Å; L834-I838 HydrophobicContact CD1-CG2 4.15Å; L834-I838 HydrophobicContact CD2-CD1 4.4Å; L834-I838 HydrophobicContact CG-CD1 3.95Å; L834-I838 WeakPolarHBondContact O-CG1 3.24Å; L834-I838 PolarHBondContact O-N 3.49Å; L834-I838 VanDerWaalsContact O-N 3.09Å; F835-I838 PolarHBondContact O-N 3.42Å |
| 839 | C | 90.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -96 | 142.3 | 178.7 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | C729 F835 V843 L844 | C729-C839 VanDerWaalsContact CB-SG 3.57Å; C729-C839 PolarHBondContact SG-SG 3.33Å; F835-C839 WeakPolarHBondContact O-CB 3.46Å; F835-C839 PolarHBondContact O-N 3.01Å; F835-C839 PolarHBondContact O-SG 3.5Å; C839-V843 HydrophobicContact CB-CB 4.29Å; C839-V843 HydrophobicContact CB-CG1 4.07Å; C839-L844 HydrophobicContact CB-CB 3.96Å |
| 840 | E | 89.4 | Confident | 89.1 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | trans | -65.3 | 152.1 | 166.7 | -155.8 | -175.2 | 143.8 | 0 | 0 | 110.6 | N733 Q736 T842 V843 L844 | N733-E840 PolarHBondContact OD1-N 2.84Å; Q736-E840 WeakPolarHBondContact CG-OE2 3.4Å; E840-T842 PolarHBondContact O-N 3.17Å; E840-T842 VanDerWaalsContact O-N 3.08Å; E840-V843 HydrophobicContact CB-CB 4.49Å; E840-V843 HydrophobicContact CB-CG2 4.2Å; E840-V843 WeakPolarHBondContact O-CA 3.4Å; E840-V843 WeakPolarHBondContact O-CB 3.38Å; E840-V843 PolarHBondContact O-N 2.8Å; E840-L844 PolarHBondContact O-N 2.92Å | ||
| 841 | K | 89 | Confident | 89.4 | Confident | 143 Ų | 143 | 42.7 Ų | 42.7 | 62% | 0.622 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -53.9 | -37.1 | -172.6 | -171.8 | 175.1 | -174 | 171.6 | 0 | 114 | K845 | K841-K845 WeakPolarHBondContact O-CG 3.39Å; K841-K845 PolarHBondContact O-N 2.81Å |
| 842 | T | 90.3 | Very high | 89.7 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.6 | -41.6 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | M773 E840 K845 R846 | M773-T842 HydrophobicContact CE-CG2 4.32Å; E840-T842 PolarHBondContact O-N 3.17Å; E840-T842 VanDerWaalsContact O-N 3.08Å; T842-K845 PolarHBondContact O-N 2.78Å; T842-R846 WeakPolarHBondContact O-CG 3.47Å; T842-R846 PolarHBondContact O-N 3.35Å |
| 843 | V | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -50.8 | 178.1 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | I732 N733 Q736 M773 C839 E840 K845 R846 V847 | I732-V843 HydrophobicContact CB-CG1 3.82Å; I732-V843 HydrophobicContact CG2-CB 4.23Å; I732-V843 HydrophobicContact CG2-CG1 3.47Å; I732-V843 VanDerWaalsContact CG2-CG1 3.47Å; I732-V843 HydrophobicContact CG2-CG2 3.86Å; N733-V843 WeakPolarHBondContact OD1-CG2 3.5Å; Q736-V843 HydrophobicContact CB-CG2 3.83Å; Q736-V843 HydrophobicContact CG-CG2 4.29Å; M773-V843 HydrophobicContact SD-CG2 4.23Å; C839-V843 HydrophobicContact CB-CB 4.29Å; C839-V843 HydrophobicContact CB-CG1 4.07Å; E840-V843 HydrophobicContact CB-CB 4.49Å; E840-V843 HydrophobicContact CB-CG2 4.2Å; E840-V843 WeakPolarHBondContact O-CA 3.4Å; E840-V843 WeakPolarHBondContact O-CB 3.38Å; E840-V843 PolarHBondContact O-N 2.8Å; V843-K845 VanDerWaalsContact C-N 3.28Å; V843-K845 PolarHBondContact O-N 3.02Å; V843-R846 PolarHBondContact O-N 3.43Å; V843-V847 HydrophobicContact CG1-CG2 4.36Å; V843-V847 WeakPolarHBondContact O-CG2 3.36Å; V843-V847 PolarHBondContact O-N 3.26Å |
| 844 | L | 91.3 | Very high | 90.3 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -51.8 | -48.6 | 177 | -179.8 | 63.7 | 0 | 0 | 0 | 111.1 | F835 A836 C839 E840 R846 V847 L848 V926 | F835-L844 HydrophobicContact CB-CD1 3.7Å; A836-L844 HydrophobicContact CB-CD2 4.25Å; C839-L844 HydrophobicContact CB-CB 3.96Å; E840-L844 PolarHBondContact O-N 2.92Å; L844-R846 VanDerWaalsContact C-N 3.3Å; L844-R846 PolarHBondContact O-N 2.78Å; L844-V847 PolarHBondContact O-N 3.31Å; L844-L848 HydrophobicContact CD1-CD1 4.09Å; L844-L848 HydrophobicContact CD1-CG 4.08Å; L844-L848 HydrophobicContact CG-CD1 3.89Å; L844-L848 HydrophobicContact CG-CG 4.26Å; L844-L848 WeakPolarHBondContact O-CB 3.46Å; L844-L848 WeakPolarHBondContact O-CG 3.21Å; L844-L848 PolarHBondContact O-N 2.97Å; L844-V926 HydrophobicContact CD2-CG1 4.44Å |
| 845 | K | 90.9 | Very high | 90.5 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.4 | -32.3 | 179.9 | -75.3 | 176.6 | 179.7 | -179 | 0 | 113.6 | K841 T842 V843 K849 | K841-K845 WeakPolarHBondContact O-CG 3.39Å; K841-K845 PolarHBondContact O-N 2.81Å; T842-K845 PolarHBondContact O-N 2.78Å; V843-K845 VanDerWaalsContact C-N 3.28Å; V843-K845 PolarHBondContact O-N 3.02Å; K845-K849 VanDerWaalsContact O-CG 3.24Å; K845-K849 WeakPolarHBondContact O-CG 3.24Å; K845-K849 PolarHBondContact O-N 2.89Å; K845-K849 VanDerWaalsContact O-N 3.1Å |
| 846 | R | 91.7 | Very high | 90.5 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 15% | 0.151 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.4 | -47 | 177.5 | -71.9 | 178.2 | -165.8 | -111.3 | 1.4 | 111.3 | N770 D774 T842 V843 L844 L848 K849 E850 | N770-R846 PolarHBondContact OD1-NH1 2.81Å; N770-R846 PolarHBondContact OD1-NH2 2.9Å; D774-R846 IonicContact OD1-CZ 2.61Å; D774-R846 IonicContact OD1-NE 2.6Å; D774-R846 IonicContact OD1-NH1 3.07Å; D774-R846 PolarHBondContact OD1-NH1 2.76Å; D774-R846 IonicContact OD2-NH1 3.29Å; D774-R846 PolarHBondContact OD2-NH1 2.82Å; T842-R846 WeakPolarHBondContact O-CG 3.47Å; T842-R846 PolarHBondContact O-N 3.35Å; V843-R846 PolarHBondContact O-N 3.43Å; L844-R846 VanDerWaalsContact C-N 3.3Å; L844-R846 PolarHBondContact O-N 2.78Å; R846-L848 VanDerWaalsContact C-N 3.31Å; R846-L848 PolarHBondContact O-N 3.45Å; R846-K849 PolarHBondContact O-N 2.7Å; R846-K849 VanDerWaalsContact O-N 3.16Å; R846-E850 PolarHBondContact O-N 3.48Å; R846-E850 VanDerWaalsContact O-N 3.09Å |
| 847 | V | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -47.1 | 174.4 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | I732 F780 F835 V843 L844 K849 E850 L851 | I732-V847 HydrophobicContact CD1-CG2 4.47Å; F780-V847 HydrophobicContact CD1-CG1 3.93Å; F780-V847 HydrophobicContact CD1-CG2 4.01Å; F780-V847 HydrophobicContact CE1-CG1 4.05Å; F835-V847 HydrophobicContact CD2-CG1 4.27Å; F835-V847 HydrophobicContact CE2-CG1 4.41Å; V843-V847 HydrophobicContact CG1-CG2 4.36Å; V843-V847 WeakPolarHBondContact O-CG2 3.36Å; V843-V847 PolarHBondContact O-N 3.26Å; L844-V847 PolarHBondContact O-N 3.31Å; V847-K849 VanDerWaalsContact C-N 3.34Å; V847-K849 PolarHBondContact O-N 3.46Å; V847-E850 PolarHBondContact O-N 2.76Å; V847-L851 HydrophobicContact CG1-CD1 3.82Å; V847-L851 HydrophobicContact CG1-CG 4.27Å; V847-L851 WeakPolarHBondContact O-CB 3.19Å; V847-L851 WeakPolarHBondContact O-CG 3.19Å; V847-L851 PolarHBondContact O-N 3.49Å |
| 848 | L | 91.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 177.6 | -70.4 | 179.5 | 0 | 0 | 0 | 113.3 | L832 L844 R846 W852 F921 L928 | L832-L848 HydrophobicContact CD2-CD2 3.4Å; L832-L848 VanDerWaalsContact CD2-CD2 3.4Å; L832-L848 HydrophobicContact CG-CD2 3.71Å; L844-L848 HydrophobicContact CD1-CD1 4.09Å; L844-L848 HydrophobicContact CD1-CG 4.08Å; L844-L848 HydrophobicContact CG-CD1 3.89Å; L844-L848 HydrophobicContact CG-CG 4.26Å; L844-L848 WeakPolarHBondContact O-CB 3.46Å; L844-L848 WeakPolarHBondContact O-CG 3.21Å; L844-L848 PolarHBondContact O-N 2.97Å; R846-L848 VanDerWaalsContact C-N 3.31Å; R846-L848 PolarHBondContact O-N 3.45Å; L848-W852 WeakPolarHBondContact O-CB 3.48Å; L848-W852 PolarHBondContact O-N 2.79Å; L848-F921 HydrophobicContact CD2-CD1 4.26Å; L848-F921 HydrophobicContact CD2-CE1 4.39Å; L848-L928 HydrophobicContact CB-CD1 4.1Å; L848-L928 HydrophobicContact CB-CD2 3.88Å; L848-L928 HydrophobicContact CB-CG 3.85Å; L848-L928 HydrophobicContact CD1-CG 4.43Å |
| 849 | K | 91.9 | Very high | 90.4 | Very high | 95 Ų | 95 | 31.8 Ų | 31.8 | 41% | 0.413 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 176.3 | -80.1 | 177.2 | 179.8 | -177.1 | 0 | 112 | K845 R846 V847 K853 L928 F932 | K845-K849 VanDerWaalsContact O-CG 3.24Å; K845-K849 WeakPolarHBondContact O-CG 3.24Å; K845-K849 PolarHBondContact O-N 2.89Å; K845-K849 VanDerWaalsContact O-N 3.1Å; R846-K849 PolarHBondContact O-N 2.7Å; R846-K849 VanDerWaalsContact O-N 3.16Å; V847-K849 VanDerWaalsContact C-N 3.34Å; V847-K849 PolarHBondContact O-N 3.46Å; K849-K853 WeakPolarHBondContact O-CB 3.39Å; K849-K853 PolarHBondContact O-N 3.3Å; K849-L928 HydrophobicContact CG-CD1 4.42Å; K849-L928 HydrophobicContact CG-CD2 3.71Å; K849-F932 HydrophobicContact CB-CZ 4.49Å; K849-F932 HydrophobicContact CD-CE2 4.37Å; K849-F932 HydrophobicContact CD-CZ 4.05Å; K849-F932 HydrophobicContact CG-CE1 3.82Å; K849-F932 HydrophobicContact CG-CE2 4.48Å; K849-F932 HydrophobicContact CG-CZ 3.73Å |
| 850 | E | 92.4 | Very high | 90.1 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.8 | -38.9 | 179.2 | -69.9 | -68 | 155 | 0 | 0 | 111.2 | R778 A781 R846 V847 K853 L854 | R778-E850 HydrophobicContact CB-CG 4.5Å; R778-E850 IonicContact CZ-OE1 3.71Å; R778-E850 VanDerWaalsContact NH1-CD 3.28Å; R778-E850 IonicContact NH1-OE1 2.78Å; R778-E850 PolarHBondContact NH1-OE1 3.41Å; R778-E850 IonicContact NH1-OE2 3.4Å; R778-E850 PolarHBondContact NH1-OE2 2.9Å; R778-E850 IonicContact NH2-OE1 2.61Å; A781-E850 HydrophobicContact CB-CB 3.51Å; R846-E850 PolarHBondContact O-N 3.48Å; R846-E850 VanDerWaalsContact O-N 3.09Å; V847-E850 PolarHBondContact O-N 2.76Å; E850-K853 WeakPolarHBondContact O-CB 3.28Å; E850-K853 PolarHBondContact O-N 3.09Å; E850-L854 WeakPolarHBondContact O-CB 3.4Å; E850-L854 PolarHBondContact O-N 3.01Å |
| 851 | L | 91 | Very high | 89.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 172.1 | -72.3 | 176.1 | 0 | 0 | 0 | 112.2 | A781 F784 I788 F835 V847 K853 L854 V855 F921 | A781-L851 HydrophobicContact CB-CD2 4.03Å; A781-L851 HydrophobicContact CB-CG 4.22Å; F784-L851 HydrophobicContact CB-CD2 4.29Å; F784-L851 HydrophobicContact CD2-CD2 4.12Å; I788-L851 HydrophobicContact CD1-CD2 4.09Å; F835-L851 HydrophobicContact CD2-CD1 4.45Å; F835-L851 HydrophobicContact CE2-CD1 4.04Å; V847-L851 HydrophobicContact CG1-CD1 3.82Å; V847-L851 HydrophobicContact CG1-CG 4.27Å; V847-L851 WeakPolarHBondContact O-CB 3.19Å; V847-L851 WeakPolarHBondContact O-CG 3.19Å; V847-L851 PolarHBondContact O-N 3.49Å; L851-K853 VanDerWaalsContact C-N 3.34Å; L851-K853 PolarHBondContact O-N 3.32Å; L851-L854 PolarHBondContact O-N 3.18Å; L851-V855 WeakPolarHBondContact O-CG2 3.14Å; L851-V855 PolarHBondContact O-N 3.49Å; L851-F921 HydrophobicContact CB-CE1 3.98Å; L851-F921 HydrophobicContact CB-CZ 4.33Å |
| 852 | W | 92.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.9 | -49.7 | 174.9 | 169.3 | -94.9 | 0 | 0 | 0 | 110.9 | L848 L854 V855 M856 I917 K918 F921 L928 L933 S936 L939 | L848-W852 WeakPolarHBondContact O-CB 3.48Å; L848-W852 PolarHBondContact O-N 2.79Å; W852-L854 VanDerWaalsContact C-N 3.29Å; W852-L854 PolarHBondContact O-N 3.08Å; W852-V855 PolarHBondContact O-N 2.97Å; W852-M856 HydrophobicContact CD2-CE 4.18Å; W852-M856 HydrophobicContact CD2-CG 4.04Å; W852-M856 HydrophobicContact CE3-CE 3.8Å; W852-M856 HydrophobicContact CG-CG 4.43Å; W852-M856 HydrophobicContact CH2-CE 3.53Å; W852-M856 HydrophobicContact CH2-SD 3.9Å; W852-M856 HydrophobicContact CZ2-CE 3.94Å; W852-M856 HydrophobicContact CZ2-CG 3.95Å; W852-M856 HydrophobicContact CZ2-SD 3.76Å; W852-M856 HydrophobicContact CZ3-CE 3.46Å; W852-M856 VanDerWaalsContact CZ3-CE 3.46Å; W852-M856 HydrophobicContact CZ3-SD 4.39Å; W852-M856 VanDerWaalsContact O-CG 3.28Å; W852-M856 WeakPolarHBondContact O-CG 3.21Å; W852-M856 PolarHBondContact O-N 2.97Å; W852-I917 HydrophobicContact CZ3-CG2 4.09Å; W852-K918 HydrophobicContact CH2-CB 4.05Å; W852-K918 HydrophobicContact CH2-CG 4.37Å; W852-K918 HydrophobicContact CZ3-CB 4.31Å; W852-F921 HydrophobicContact CB-CD1 3.93Å; W852-F921 HydrophobicContact CB-CE1 3.89Å; W852-F921 HydrophobicContact CE3-CB 3.91Å; W852-F921 HydrophobicContact CE3-CD1 4.12Å; W852-F921 AromaticContact CE3-CD2 3.77Å; W852-F921 HydrophobicContact CE3-CD2 3.77Å; W852-F921 HydrophobicContact CE3-CE2 4.29Å; W852-F921 AromaticContact CE3-CG 3.66Å; W852-F921 HydrophobicContact CE3-CG 3.66Å; W852-F921 HydrophobicContact CZ3-CB 4.25Å; W852-F921 HydrophobicContact CZ3-CD2 4.18Å; W852-F921 HydrophobicContact CZ3-CG 4.3Å; W852-L928 HydrophobicContact CB-CD1 4.07Å; W852-L928 HydrophobicContact CG-CD1 4.44Å; W852-L933 HydrophobicContact CD2-CD2 3.52Å; W852-L933 HydrophobicContact CE3-CD2 3.64Å; W852-L933 HydrophobicContact CG-CD2 4.12Å; W852-L933 HydrophobicContact CH2-CD2 3.9Å; W852-L933 HydrophobicContact CZ2-CB 4.38Å; W852-L933 HydrophobicContact CZ2-CD2 3.77Å; W852-L933 HydrophobicContact CZ3-CD2 3.83Å; W852-S936 PolarHBondContact NE1-OG 3.38Å; W852-L939 HydrophobicContact CH2-CD2 4.47Å; W852-L939 HydrophobicContact CZ2-CB 3.99Å; W852-L939 HydrophobicContact CZ2-CD1 4.46Å; W852-L939 HydrophobicContact CZ2-CD2 4.12Å; W852-L939 HydrophobicContact CZ2-CG 4.4Å |
| 853 | K | 91.8 | Very high | 88.7 | Confident | 90 Ų | 90 | 32.2 Ų | 32.2 | 39% | 0.391 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.3 | -47 | 175.8 | 175.7 | 173.3 | -176.5 | -177.6 | 0 | 110.9 | K849 E850 L851 N857 D938 | K849-K853 WeakPolarHBondContact O-CB 3.39Å; K849-K853 PolarHBondContact O-N 3.3Å; E850-K853 WeakPolarHBondContact O-CB 3.28Å; E850-K853 PolarHBondContact O-N 3.09Å; L851-K853 VanDerWaalsContact C-N 3.34Å; L851-K853 PolarHBondContact O-N 3.32Å; K853-N857 VanDerWaalsContact CG-ND2 3.26Å; K853-N857 WeakPolarHBondContact CG-ND2 3.43Å; K853-N857 VanDerWaalsContact O-CB 3.31Å; K853-N857 WeakPolarHBondContact O-CB 3.23Å; K853-N857 PolarHBondContact O-N 2.8Å; K853-N857 PolarHBondContact O-ND2 2.83Å; K853-D938 WeakPolarHBondContact CG-OD1 3.29Å |
| 854 | L | 90.1 | Very high | 87.8 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 13% | 0.126 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | -179 | -165.3 | 61 | 0 | 0 | 0 | 111.7 | A781 Q785 I788 E850 L851 W852 N857 T858 | A781-L854 WeakPolarHBondContact O-CD2 3.21Å; Q785-L854 HydrophobicContact CB-CD1 4.24Å; Q785-L854 HydrophobicContact CB-CD2 3.86Å; Q785-L854 HydrophobicContact CB-CG 4.47Å; Q785-L854 HydrophobicContact CG-CD1 3.93Å; Q785-L854 HydrophobicContact CG-CD2 4.39Å; Q785-L854 HydrophobicContact CG-CG 4.48Å; I788-L854 HydrophobicContact CD1-CD2 3.74Å; I788-L854 HydrophobicContact CD1-CG 4.25Å; E850-L854 WeakPolarHBondContact O-CB 3.4Å; E850-L854 PolarHBondContact O-N 3.01Å; L851-L854 PolarHBondContact O-N 3.18Å; W852-L854 VanDerWaalsContact C-N 3.29Å; W852-L854 PolarHBondContact O-N 3.08Å; L854-N857 PolarHBondContact O-N 3.36Å; L854-T858 VanDerWaalsContact O-CB 3.32Å; L854-T858 WeakPolarHBondContact O-CB 3.12Å; L854-T858 PolarHBondContact O-N 3.08Å; L854-T858 PolarHBondContact O-OG1 3.41Å |
| 855 | V | 90.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -49.6 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | I788 I824 L851 W852 N857 T858 M859 I917 F921 | I788-V855 HydrophobicContact CD1-CG2 4.31Å; I788-V855 HydrophobicContact CG2-CG2 4.07Å; I824-V855 HydrophobicContact CD1-CG1 3.61Å; I824-V855 HydrophobicContact CD1-CG2 4.1Å; L851-V855 WeakPolarHBondContact O-CG2 3.14Å; L851-V855 PolarHBondContact O-N 3.49Å; W852-V855 PolarHBondContact O-N 2.97Å; V855-N857 PolarHBondContact O-N 2.96Å; V855-T858 PolarHBondContact O-N 3.28Å; V855-M859 HydrophobicContact CG1-CG 4.39Å; V855-M859 HydrophobicContact CG1-SD 3.96Å; V855-M859 WeakPolarHBondContact O-CB 3.33Å; V855-M859 VanDerWaalsContact O-CG 3.3Å; V855-M859 WeakPolarHBondContact O-CG 3.24Å; V855-M859 PolarHBondContact O-N 3.49Å; V855-I917 HydrophobicContact CG1-CG2 4.41Å; V855-F921 HydrophobicContact CG2-CZ 4.15Å |
| 856 | M | 90.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 180 | -66.1 | -62.2 | 117.1 | 0 | 0 | 111.7 | W852 T858 M859 E860 L914 I917 D938 L939 L942 | W852-M856 HydrophobicContact CD2-CE 4.18Å; W852-M856 HydrophobicContact CD2-CG 4.04Å; W852-M856 HydrophobicContact CE3-CE 3.8Å; W852-M856 HydrophobicContact CG-CG 4.43Å; W852-M856 HydrophobicContact CH2-CE 3.53Å; W852-M856 HydrophobicContact CH2-SD 3.9Å; W852-M856 HydrophobicContact CZ2-CE 3.94Å; W852-M856 HydrophobicContact CZ2-CG 3.95Å; W852-M856 HydrophobicContact CZ2-SD 3.76Å; W852-M856 HydrophobicContact CZ3-CE 3.46Å; W852-M856 VanDerWaalsContact CZ3-CE 3.46Å; W852-M856 HydrophobicContact CZ3-SD 4.39Å; W852-M856 VanDerWaalsContact O-CG 3.28Å; W852-M856 WeakPolarHBondContact O-CG 3.21Å; W852-M856 PolarHBondContact O-N 2.97Å; M856-T858 VanDerWaalsContact C-N 3.35Å; M856-T858 PolarHBondContact O-N 3.13Å; M856-M859 PolarHBondContact O-N 3.15Å; M856-E860 WeakPolarHBondContact O-CB 3.23Å; M856-E860 PolarHBondContact O-N 3.3Å; M856-L914 HydrophobicContact CE-CD2 4.29Å; M856-L914 HydrophobicContact SD-CD2 4.23Å; M856-I917 HydrophobicContact CE-CG2 3.88Å; M856-D938 HydrophobicContact CB-CB 3.67Å; M856-D938 HydrophobicContact CG-CB 4.16Å; M856-L939 HydrophobicContact SD-CB 4.41Å; M856-L939 HydrophobicContact SD-CD1 3.9Å; M856-L942 HydrophobicContact SD-CD2 4.05Å |
| 857 | N | 86.8 | Confident | 83.5 | Confident | 39 Ų | 39 | 34.2 Ų | 34.2 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -37.8 | -179.9 | -77.8 | -60.4 | 0 | 0 | 0 | 112.4 | K853 L854 V855 K861 D938 | K853-N857 VanDerWaalsContact CG-ND2 3.26Å; K853-N857 WeakPolarHBondContact CG-ND2 3.43Å; K853-N857 VanDerWaalsContact O-CB 3.31Å; K853-N857 WeakPolarHBondContact O-CB 3.23Å; K853-N857 PolarHBondContact O-N 2.8Å; K853-N857 PolarHBondContact O-ND2 2.83Å; L854-N857 PolarHBondContact O-N 3.36Å; V855-N857 PolarHBondContact O-N 2.96Å; N857-K861 WeakPolarHBondContact O-CB 3.44Å; N857-K861 WeakPolarHBondContact O-CG 3.12Å; N857-K861 PolarHBondContact O-N 3.45Å; N857-D938 PolarHBondContact ND2-OD1 3.34Å; N857-D938 VanDerWaalsContact ND2-OD1 3.09Å |
| 858 | T | 87.1 | Confident | 81.5 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.7 | -41.7 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | I788 E789 V792 L854 V855 M856 E860 K861 T862 | I788-T858 HydrophobicContact CG2-CG2 4.37Å; E789-T858 HydrophobicContact CB-CG2 4.33Å; E789-T858 HydrophobicContact CG-CG2 3.73Å; V792-T858 HydrophobicContact CB-CG2 3.89Å; V792-T858 HydrophobicContact CG1-CG2 4.02Å; V792-T858 HydrophobicContact CG2-CG2 3.99Å; L854-T858 VanDerWaalsContact O-CB 3.32Å; L854-T858 WeakPolarHBondContact O-CB 3.12Å; L854-T858 PolarHBondContact O-N 3.08Å; L854-T858 PolarHBondContact O-OG1 3.41Å; V855-T858 PolarHBondContact O-N 3.28Å; M856-T858 VanDerWaalsContact C-N 3.35Å; M856-T858 PolarHBondContact O-N 3.13Å; T858-E860 VanDerWaalsContact C-N 3.32Å; T858-E860 PolarHBondContact O-N 2.95Å; T858-K861 PolarHBondContact O-N 3.21Å; T858-T862 WeakPolarHBondContact O-CB 3.12Å; T858-T862 PolarHBondContact O-N 3.19Å; T858-T862 PolarHBondContact O-OG1 3.5Å; T858-T862 VanDerWaalsContact O-OG1 3.06Å |
| 859 | M | 86.3 | Confident | 79.3 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 173.3 | -72.4 | -178.2 | 74.6 | 0 | 0 | 111.9 | V792 M795 V855 M856 I863 V864 L914 I917 L942 | V792-M859 HydrophobicContact CG1-CB 4.49Å; V792-M859 HydrophobicContact CG1-CG 4.01Å; V792-M859 HydrophobicContact CG2-CG 3.97Å; M795-M859 HydrophobicContact CE-CE 3.95Å; V855-M859 HydrophobicContact CG1-CG 4.39Å; V855-M859 HydrophobicContact CG1-SD 3.96Å; V855-M859 WeakPolarHBondContact O-CB 3.33Å; V855-M859 VanDerWaalsContact O-CG 3.3Å; V855-M859 WeakPolarHBondContact O-CG 3.24Å; V855-M859 PolarHBondContact O-N 3.49Å; M856-M859 PolarHBondContact O-N 3.15Å; M859-I863 WeakPolarHBondContact O-CB 3.26Å; M859-I863 PolarHBondContact O-N 3.26Å; M859-V864 PolarHBondContact O-N 3.32Å; M859-L914 HydrophobicContact CE-CD2 3.66Å; M859-L914 HydrophobicContact CE-CG 4.47Å; M859-L914 HydrophobicContact SD-CD2 4Å; M859-I917 HydrophobicContact CE-CD1 3.88Å; M859-I917 HydrophobicContact SD-CD1 3.57Å; M859-I917 VanDerWaalsContact SD-CD1 3.57Å; M859-L942 HydrophobicContact CB-CD2 4.26Å |
| 860 | E | 83.7 | Confident | 76.6 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -60.8 | -49.3 | 176.7 | -165.6 | 172.7 | -173.3 | 0 | 0 | 111.7 | M856 T858 V864 L865 S941 L942 | M856-E860 WeakPolarHBondContact O-CB 3.23Å; M856-E860 PolarHBondContact O-N 3.3Å; T858-E860 VanDerWaalsContact C-N 3.32Å; T858-E860 PolarHBondContact O-N 2.95Å; E860-V864 CarbonylContact O-C 3.57Å; E860-V864 PolarHBondContact O-N 3.37Å; E860-L865 HydrophobicContact CG-CD1 3.99Å; E860-L865 HydrophobicContact CG-CG 4.21Å; E860-L865 WeakPolarHBondContact O-CB 3.38Å; E860-L865 VanDerWaalsContact O-CG 3.3Å; E860-L865 WeakPolarHBondContact O-CG 3.25Å; E860-L865 PolarHBondContact O-N 3.46Å; E860-S941 PolarHBondContact OE1-OG 3.19Å; E860-S941 PolarHBondContact OE2-OG 3.38Å; E860-L942 VanDerWaalsContact CA-CD1 3.49Å; E860-L942 HydrophobicContact CB-CD1 3.7Å; E860-L942 HydrophobicContact CG-CD1 3.99Å |
| 861 | K | 81.3 | Confident | 74.2 | Confident | 147 Ų | 147 | 50.3 Ų | 50.3 | 64% | 0.639 | 26% | 0.264 | S | S | * | . | I | π-helix | trans | -74.6 | -35.3 | -175.6 | -71.5 | 175.1 | -177.7 | 176.8 | 0 | 114.1 | N857 T858 | N857-K861 WeakPolarHBondContact O-CB 3.44Å; N857-K861 WeakPolarHBondContact O-CG 3.12Å; N857-K861 PolarHBondContact O-N 3.45Å; T858-K861 PolarHBondContact O-N 3.21Å |
| 862 | T | 79.4 | Confident | 71.8 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -94.6 | -36.6 | -170.5 | -55.5 | 0 | 0 | 0 | 0 | 112.6 | V792 R793 T858 | V792-T862 HydrophobicContact CG1-CG2 4.25Å; R793-T862 HydrophobicContact CB-CG2 4.46Å; T858-T862 WeakPolarHBondContact O-CB 3.12Å; T858-T862 PolarHBondContact O-N 3.19Å; T858-T862 PolarHBondContact O-OG1 3.5Å; T858-T862 VanDerWaalsContact O-OG1 3.06Å |
| 863 | I | 78.7 | Confident | 69.3 | Low | 22 Ų | 22 | 55.4 Ų | 55.4 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -104.5 | -46.5 | -175.4 | -56.8 | 178.3 | 0 | 0 | 0 | 111.2 | V792 M795 L799 M859 I910 | V792-I863 HydrophobicContact CG1-CD1 3.69Å; V792-I863 HydrophobicContact CG1-CG1 3.81Å; M795-I863 HydrophobicContact CB-CD1 4.01Å; L799-I863 HydrophobicContact CD2-CG2 3.6Å; M859-I863 WeakPolarHBondContact O-CB 3.26Å; M859-I863 PolarHBondContact O-N 3.26Å; I863-I910 HydrophobicContact CG2-CD1 3.96Å |
| 864 | V | 73.9 | Confident | 66.9 | Low | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -90.5 | -35.7 | -167.7 | -179.7 | 0 | 0 | 0 | 0 | 112.9 | M859 E860 L942 A945 L946 Y949 | M859-V864 PolarHBondContact O-N 3.32Å; E860-V864 CarbonylContact O-C 3.57Å; E860-V864 PolarHBondContact O-N 3.37Å; V864-L942 HydrophobicContact CB-CD1 3.96Å; V864-L942 HydrophobicContact CG1-CD1 4.35Å; V864-L942 HydrophobicContact CG2-CD1 3.51Å; V864-A945 HydrophobicContact CG1-CB 3.72Å; V864-L946 HydrophobicContact CB-CD2 4.47Å; V864-L946 HydrophobicContact CG1-CD2 3.87Å; V864-L946 HydrophobicContact CG1-CG 3.95Å; V864-L946 HydrophobicContact CG2-CD2 3.75Å; V864-L946 HydrophobicContact CG2-CG 4.13Å; V864-Y949 HydrophobicContact CG1-CE2 4.1Å; V864-Y949 WeakPolarHBondContact O-CE2 3.44Å; V864-Y949 PolarHBondContact O-OH 2.77Å |
| 865 | L | 68.3 | Low | 64.5 | Low | 28 Ų | 28 | 59.5 Ų | 59.5 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -89.9 | 131.1 | 179 | -69.4 | 173.2 | 0 | 0 | 0 | 111 | E860 T1131 | E860-L865 HydrophobicContact CG-CD1 3.99Å; E860-L865 HydrophobicContact CG-CG 4.21Å; E860-L865 WeakPolarHBondContact O-CB 3.38Å; E860-L865 VanDerWaalsContact O-CG 3.3Å; E860-L865 WeakPolarHBondContact O-CG 3.25Å; E860-L865 PolarHBondContact O-N 3.46Å; L865-T1131 HydrophobicContact CD2-CG2 4Å |
| 866 | P | 60.3 | Low | 62.2 | Low | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 144.9 | 175 | -15.2 | 29.4 | 0 | 0 | 0 | 111.4 | L868 Y949 R1134 Q1138 | P866-L868 PolarHBondContact O-N 3.46Å; P866-Y949 VanDerWaalsContact CD-OH 3.24Å; P866-Y949 WeakPolarHBondContact CD-OH 3.41Å; P866-Y949 VanDerWaalsContact CG-OH 3.27Å; P866-Y949 WeakPolarHBondContact CG-OH 3.48Å; P866-R1134 HydrophobicContact CB-CB 4.4Å; P866-R1134 HydrophobicContact CG-CB 4.03Å; P866-Q1138 HydrophobicContact CB-CG 4.3Å; P866-Q1138 HydrophobicContact CG-CG 4.27Å |
| 867 | T | 55.1 | Low | 60 | Low | 113 Ų | 113 | 71.5 Ų | 71.5 | 69% | 0.693 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 127.5 | 174.2 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | T869 | T867-T869 PolarHBondContact O-N 2.51Š|
| 868 | L | 47.1 | Very low | 57.7 | Low | 106 Ų | 106 | 76.1 Ų | 76.1 | 56% | 0.555 | 41% | 0.406 | S | S | * | . | trans | -80.3 | 108.7 | 164.5 | -80 | 166.4 | 0 | 0 | 0 | 107.2 | P866 D870 R1134 | P866-L868 PolarHBondContact O-N 3.46Å; L868-D870 PolarHBondContact O-N 2.98Å; L868-D870 VanDerWaalsContact O-N 3.08Å; L868-R1134 HydrophobicContact CD1-CG 4.43Å; L868-R1134 VanDerWaalsContact CD1-NE 3.3Å; L868-R1134 HydrophobicContact CD2-CG 4.11Å; L868-R1134 HydrophobicContact CG-CG 4.04Å | ||
| 869 | T | 46 | Very low | 55.7 | Low | 111 Ų | 111 | 80 Ų | 80 | 68% | 0.681 | 43% | 0.426 | S | S | * | . | trans | -66.7 | 107.3 | 161.4 | 44.5 | 0 | 0 | 0 | 0 | 107.8 | T867 Q871 | T867-T869 PolarHBondContact O-N 2.51Å; T869-Q871 PolarHBondContact O-N 2.57Å | ||
| 870 | D | 35.5 | Very low | 53.8 | Low | 127 Ų | 127 | 82.1 Ų | 82.1 | 68% | 0.679 | 45% | 0.445 | S | S | * | . | trans | -59.4 | 106.7 | 171.8 | -147.6 | 10.2 | 0 | 0 | 0 | 107.8 | L868 T872 G873 | L868-D870 PolarHBondContact O-N 2.98Å; L868-D870 VanDerWaalsContact O-N 3.08Å; D870-T872 PolarHBondContact O-N 3.06Å; D870-T872 PolarHBondContact OD1-OG1 3.04Å; D870-T872 PolarHBondContact OD2-OG1 3.37Å; D870-G873 PolarHBondContact O-N 3.49Å | ||
| 871 | Q | 42.9 | Very low | 52.1 | Low | 130 Ų | 130 | 82.2 Ų | 82.2 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.9 | -10.2 | -174.1 | -70.9 | -176.8 | -6 | 0 | 0 | 113 | T869 Q875 | T869-Q871 PolarHBondContact O-N 2.57Å; Q871-Q875 PolarHBondContact O-N 3.41Å |
| 872 | T | 41.2 | Very low | 50.4 | Low | 72 Ų | 72 | 82.6 Ų | 82.6 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 174.1 | 41.7 | 0 | 0 | 0 | 0 | 113.2 | D870 | D870-T872 PolarHBondContact O-N 3.06Å; D870-T872 PolarHBondContact OD1-OG1 3.04Å; D870-T872 PolarHBondContact OD2-OG1 3.37Å |
| 873 | G | 39.5 | Very low | 49.1 | Very low | 37 Ų | 37 | 87.9 Ų | 87.9 | 38% | 0.381 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75.7 | -39.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D870 I877 | D870-G873 PolarHBondContact O-N 3.49Å; G873-I877 WeakPolarHBondContact O-CG1 3.15Å; G873-I877 PolarHBondContact O-N 3.49Å |
| 874 | T | 40.5 | Very low | 47.7 | Very low | 69 Ų | 69 | 93.2 Ų | 93.2 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.9 | -30.7 | -175.2 | -31.5 | 0 | 0 | 0 | 0 | 112.4 | F878 | T874-F878 WeakPolarHBondContact O-CB 3.23Å; T874-F878 PolarHBondContact O-N 3.31Å |
| 875 | Q | 40.1 | Very low | 46.5 | Very low | 132 Ų | 132 | 96.5 Ų | 96.5 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.6 | -36.3 | 174.4 | -95.9 | 179.5 | -23.3 | 0 | 0 | 113.1 | Q871 I877 F878 N879 | Q871-Q875 PolarHBondContact O-N 3.41Å; Q875-I877 VanDerWaalsContact C-N 3.35Å; Q875-F878 PolarHBondContact O-N 3.03Å; Q875-N879 WeakPolarHBondContact O-CB 3.48Å; Q875-N879 PolarHBondContact O-N 3.27Å |
| 876 | M | 41.4 | Very low | 45.8 | Very low | 139 Ų | 139 | 101.6 Ų | 101.6 | 69% | 0.685 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.6 | -39.8 | 174.8 | -78.2 | -162.6 | -109.6 | 0 | 0 | 111.9 | A880 | M876-A880 VanDerWaalsContact O-CB 3.3Å; M876-A880 WeakPolarHBondContact O-CB 3.34Å; M876-A880 PolarHBondContact O-N 3.02Å |
| 877 | I | 45.6 | Very low | 45.1 | Very low | 113 Ų | 113 | 106.2 Ų | 106.2 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 175.7 | -61.6 | 170.2 | 0 | 0 | 0 | 110.8 | G873 Q875 A881 | G873-I877 WeakPolarHBondContact O-CG1 3.15Å; G873-I877 PolarHBondContact O-N 3.49Å; Q875-I877 VanDerWaalsContact C-N 3.35Å; I877-A881 VanDerWaalsContact O-CB 3.23Å; I877-A881 WeakPolarHBondContact O-CB 3.25Å; I877-A881 PolarHBondContact O-N 3.03Å |
| 878 | F | 37.5 | Very low | 44.7 | Very low | 136 Ų | 136 | 105.8 Ų | 105.8 | 60% | 0.596 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.7 | -36.6 | 177.7 | -143.6 | -92.3 | 0 | 0 | 0 | 112.5 | T874 Q875 K882 | T874-F878 WeakPolarHBondContact O-CB 3.23Å; T874-F878 PolarHBondContact O-N 3.31Å; Q875-F878 PolarHBondContact O-N 3.03Å; F878-K882 WeakPolarHBondContact O-CB 3.42Å; F878-K882 PolarHBondContact O-N 2.88Å |
| 879 | N | 46 | Very low | 44.5 | Very low | 90 Ų | 90 | 108.7 Ų | 108.7 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.7 | -41.3 | 174.8 | -77.8 | -13.9 | 0 | 0 | 0 | 111.7 | Q875 A881 K882 E883 | Q875-N879 WeakPolarHBondContact O-CB 3.48Å; Q875-N879 PolarHBondContact O-N 3.27Å; N879-A881 PolarHBondContact O-N 2.95Å; N879-K882 PolarHBondContact O-N 2.99Å; N879-E883 PolarHBondContact O-N 3.3Å |
| 880 | A | 45.7 | Very low | 44.2 | Very low | 49 Ų | 49 | 107.1 Ų | 107.1 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.8 | -38.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M876 K882 E883 L884 | M876-A880 VanDerWaalsContact O-CB 3.3Å; M876-A880 WeakPolarHBondContact O-CB 3.34Å; M876-A880 PolarHBondContact O-N 3.02Å; A880-K882 VanDerWaalsContact C-N 3.33Å; A880-E883 PolarHBondContact O-N 3.33Å; A880-L884 PolarHBondContact O-N 3.48Å |
| 881 | A | 48.8 | Very low | 44.4 | Very low | 22 Ų | 22 | 110 Ų | 110 | 18% | 0.182 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -73 | -24.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I877 N879 L884 L890 | I877-A881 VanDerWaalsContact O-CB 3.23Å; I877-A881 WeakPolarHBondContact O-CB 3.25Å; I877-A881 PolarHBondContact O-N 3.03Å; N879-A881 PolarHBondContact O-N 2.95Å; A881-L884 PolarHBondContact O-N 3.44Å; A881-L890 HydrophobicContact CB-CD1 4.1Å |
| 882 | K | 45.6 | Very low | 44.1 | Very low | 155 Ų | 155 | 112.3 Ų | 112.3 | 67% | 0.674 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.5 | -27.7 | 174.2 | -159.8 | 178.6 | -176.5 | -177.5 | 0 | 112.3 | F878 N879 A880 | F878-K882 WeakPolarHBondContact O-CB 3.42Å; F878-K882 PolarHBondContact O-N 2.88Å; N879-K882 PolarHBondContact O-N 2.99Å; A880-K882 VanDerWaalsContact C-N 3.33Å |
| 883 | E | 50.6 | Low | 43.9 | Very low | 179 Ų | 179 | 117.2 Ų | 117.2 | 84% | 0.836 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.8 | -21.5 | 172.5 | -71.4 | -167.4 | 158.3 | 0 | 0 | 113.5 | N879 A880 | N879-E883 PolarHBondContact O-N 3.3Å; A880-E883 PolarHBondContact O-N 3.33Å |
| 884 | L | 50.9 | Low | 43.5 | Very low | 134 Ų | 134 | 120.6 Ų | 120.6 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 3.2 | -173.4 | -85.9 | 155 | 0 | 0 | 0 | 115.7 | A880 A881 Q886 | A880-L884 PolarHBondContact O-N 3.48Å; A881-L884 PolarHBondContact O-N 3.44Å; L884-Q886 VanDerWaalsContact C-N 3.25Å; L884-Q886 PolarHBondContact O-N 3.28Å; L884-Q886 VanDerWaalsContact O-N 3.08Å |
| 885 | G | 48.2 | Very low | 43 | Very low | 71 Ų | 71 | 120.7 Ų | 120.7 | 73% | 0.732 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.2 | 18.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 886 | Q | 52.9 | Low | 42.9 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | trans | -114.9 | 56 | -178.2 | -69.5 | -169.2 | -2.3 | 0 | 0 | 113 | L884 | L884-Q886 VanDerWaalsContact C-N 3.25Å; L884-Q886 PolarHBondContact O-N 3.28Å; L884-Q886 VanDerWaalsContact O-N 3.08Å | ||
| 887 | L | 46.6 | Very low | 42.7 | Very low | 111 Ų | 111 | 127 Ų | 127 | 58% | 0.581 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -18.9 | -178.6 | -109 | 118.9 | 0 | 0 | 0 | 114.8 | ||
| 888 | S | 45.9 | Very low | 42.6 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -28.2 | -173 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 889 | K | 42.2 | Very low | 43.1 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 72% | 0.722 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -19.5 | -178.5 | -76.5 | -176.7 | 175.5 | -179.4 | 0 | 114.8 | K891 | K889-K891 VanDerWaalsContact C-N 3.34Š|
| 890 | L | 41.3 | Very low | 43.5 | Very low | 79 Ų | 79 | 128 Ų | 128 | 41% | 0.414 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -78.5 | -16.3 | 176.8 | -88.5 | 154.7 | 0 | 0 | 0 | 113.4 | A881 M894 | A881-L890 HydrophobicContact CB-CD1 4.1Å; L890-M894 HydrophobicContact CD2-CG 4.23Å; L890-M894 HydrophobicContact CD2-SD 3.82Å; L890-M894 WeakPolarHBondContact O-CB 3.21Å; L890-M894 PolarHBondContact O-N 3.33Å |
| 891 | K | 38.1 | Very low | 44.4 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 82% | 0.817 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76 | -23.5 | -176 | -129.9 | 179.5 | -177.7 | -175.9 | 0 | 114 | K889 | K889-K891 VanDerWaalsContact C-N 3.34Å |
| 892 | E | 36.8 | Very low | 45.5 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -96.8 | -20.9 | -179.8 | -79.2 | -175.8 | 155 | 0 | 0 | 114.2 | ||
| 893 | H | 37 | Very low | 46.8 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 81% | 0.81 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -101.4 | -6.8 | 179.4 | -83.6 | 66.6 | 0 | 0 | 0 | 114.4 | ||
| 894 | M | 32.6 | Very low | 47.9 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | trans | -102.7 | 58.9 | 172.6 | -69.1 | -174.1 | 70.3 | 0 | 0 | 111.2 | L890 R896 | L890-M894 HydrophobicContact CD2-CG 4.23Å; L890-M894 HydrophobicContact CD2-SD 3.82Å; L890-M894 WeakPolarHBondContact O-CB 3.21Å; L890-M894 PolarHBondContact O-N 3.33Å; M894-R896 VanDerWaalsContact C-N 3.31Å; M894-R896 PolarHBondContact O-N 2.93Å | ||
| 895 | G | 30 | Very low | 49.2 | Very low | 70 Ų | 70 | 112.1 Ų | 112.1 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | trans | -57.4 | 100.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108 | E897 | G895-E897 PolarHBondContact O-N 3.48Š| ||
| 896 | R | 37.8 | Very low | 50.6 | Low | 214 Ų | 214 | 109.7 Ų | 109.7 | 81% | 0.808 | 56% | 0.556 | S | S | * | * | trans | -58.7 | 105.4 | 166.8 | -86.6 | -179.8 | 172.7 | 179 | -2.7 | 106.4 | M894 E898 | M894-R896 VanDerWaalsContact C-N 3.31Å; M894-R896 PolarHBondContact O-N 2.93Å; R896-E898 PolarHBondContact O-N 3.12Å | ||
| 897 | E | 36.4 | Very low | 51.9 | Low | 191 Ų | 191 | 103.6 Ų | 103.6 | 89% | 0.893 | 53% | 0.528 | S | S | * | . | trans | -66.1 | 90.5 | 155.7 | -77.4 | -171.1 | 153.7 | 0 | 0 | 106.6 | G895 A899 | G895-E897 PolarHBondContact O-N 3.48Å; E897-A899 PolarHBondContact O-N 3Å; E897-A899 VanDerWaalsContact O-N 3.16Å | ||
| 898 | E | 43.2 | Very low | 53.4 | Low | 121 Ų | 121 | 99.6 Ų | 99.6 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | trans | -58.8 | 116.6 | 164.9 | -68.2 | -173.1 | 168.7 | 0 | 0 | 107 | R896 K900 N1140 | R896-E898 PolarHBondContact O-N 3.12Å; E898-K900 PolarHBondContact O-N 2.99Å; E898-N1140 PolarHBondContact OE2-ND2 3.16Å | ||
| 899 | A | 48.1 | Very low | 55.2 | Low | 40 Ų | 40 | 94.6 Ų | 94.6 | 33% | 0.331 | 48% | 0.476 | S | S | . | . | trans | -56.7 | 103.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | E897 A901 Q1138 | E897-A899 PolarHBondContact O-N 3Å; E897-A899 VanDerWaalsContact O-N 3.16Å; A899-A901 PolarHBondContact O-N 3.27Å; A899-Q1138 VanDerWaalsContact O-CD 3.28Å; A899-Q1138 PolarHBondContact O-OE1 2.97Å | ||
| 900 | K | 55.7 | Low | 57.3 | Low | 198 Ų | 198 | 87 Ų | 87 | 86% | 0.861 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -69 | 130.8 | 179.9 | -77 | -179.9 | 179.4 | 172.8 | 0 | 109.3 | E898 L902 | E898-K900 PolarHBondContact O-N 2.99Å; K900-L902 PolarHBondContact O-N 2.91Å |
| 901 | A | 63 | Low | 59.3 | Low | 45 Ų | 45 | 88.2 Ų | 88.2 | 37% | 0.372 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -56 | 137.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A899 T903 Q1138 | A899-A901 PolarHBondContact O-N 3.27Å; A901-T903 PolarHBondContact O-N 3.36Å; A901-Q1138 HydrophobicContact CB-CB 4.11Å |
| 902 | L | 72.6 | Confident | 61.5 | Low | 29 Ų | 29 | 82.2 Ų | 82.2 | 15% | 0.152 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 132.4 | 176.3 | -68.8 | 173.6 | 0 | 0 | 0 | 110.3 | L799 K900 Q906 I910 Y949 | L799-L902 HydrophobicContact CD2-CD2 3.99Å; K900-L902 PolarHBondContact O-N 2.91Å; L902-Q906 HydrophobicContact CD2-CB 4.28Å; L902-I910 HydrophobicContact CD1-CD1 4.1Å; L902-Y949 HydrophobicContact CB-CD1 4.13Å; L902-Y949 HydrophobicContact CB-CE1 4.35Å; L902-Y949 HydrophobicContact CB-CG 4.49Å; L902-Y949 HydrophobicContact CD1-CD2 4.49Å; L902-Y949 HydrophobicContact CD1-CE2 4.27Å; L902-Y949 HydrophobicContact CG-CE1 4.43Å |
| 903 | T | 73.4 | Confident | 63.9 | Low | 40 Ų | 40 | 73.9 Ų | 73.9 | 25% | 0.245 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 155.3 | 175.3 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | A901 K905 Q906 C907 | A901-T903 PolarHBondContact O-N 3.36Å; T903-K905 PolarHBondContact O-N 2.95Å; T903-K905 VanDerWaalsContact O-N 3.12Å; T903-Q906 WeakPolarHBondContact O-CB 3.39Å; T903-Q906 PolarHBondContact O-N 2.92Å; T903-Q906 VanDerWaalsContact OG1-CD 3.32Å; T903-Q906 VanDerWaalsContact OG1-CG 3.28Å; T903-Q906 WeakPolarHBondContact OG1-CG 3.22Å; T903-Q906 PolarHBondContact OG1-N 3.45Å; T903-Q906 PolarHBondContact OG1-OE1 3.48Å; T903-C907 PolarHBondContact O-N 3.38Å |
| 904 | P | 72.9 | Confident | 66.3 | Low | 77 Ų | 77 | 65.6 Ų | 65.6 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54 | -33.5 | 175 | -27.5 | 35.4 | 0 | 0 | 0 | 113.6 | A908 | P904-A908 PolarHBondContact O-N 3.18Å; P904-A908 VanDerWaalsContact O-N 3.16Å |
| 905 | K | 77.6 | Confident | 68.9 | Low | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.065 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 175.2 | -169.9 | -179.6 | 175.2 | -159.9 | 0 | 111.9 | V802 K803 E816 T903 C907 A908 V909 | V802-K905 HydrophobicContact CG1-CD 4.22Å; V802-K905 HydrophobicContact CG1-CG 4.42Å; K803-K905 PolarHBondContact O-NZ 2.91Å; E816-K905 IonicContact OE1-NZ 3.58Å; E816-K905 PolarHBondContact OE1-NZ 2.9Å; E816-K905 WeakPolarHBondContact OE2-CE 3.21Å; E816-K905 IonicContact OE2-NZ 2.85Å; E816-K905 PolarHBondContact OE2-NZ 3.07Å; E816-K905 VanDerWaalsContact OE2-NZ 3.16Å; T903-K905 PolarHBondContact O-N 2.95Å; T903-K905 VanDerWaalsContact O-N 3.12Å; K905-C907 VanDerWaalsContact C-N 3.34Å; K905-C907 PolarHBondContact O-N 3.33Å; K905-A908 PolarHBondContact O-N 2.87Å; K905-V909 WeakPolarHBondContact O-CG2 3.33Å; K905-V909 PolarHBondContact O-N 2.93Å |
| 906 | Q | 79.4 | Confident | 71.6 | Confident | 19 Ų | 19 | 61 Ų | 61 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 175.3 | -74 | 164.5 | -41.3 | 0 | 0 | 112.4 | L799 V802 L902 T903 V909 I910 | L799-Q906 HydrophobicContact CD1-CB 4.03Å; L799-Q906 HydrophobicContact CD1-CG 4.05Å; L799-Q906 HydrophobicContact CG-CB 4.34Å; L799-Q906 HydrophobicContact CG-CG 4.21Å; L799-Q906 PolarHBondContact O-NE2 3.17Å; V802-Q906 HydrophobicContact CB-CG 4.11Å; V802-Q906 HydrophobicContact CG1-CG 4.33Å; L902-Q906 HydrophobicContact CD2-CB 4.28Å; T903-Q906 WeakPolarHBondContact O-CB 3.39Å; T903-Q906 PolarHBondContact O-N 2.92Å; T903-Q906 VanDerWaalsContact OG1-CD 3.32Å; T903-Q906 VanDerWaalsContact OG1-CG 3.28Å; T903-Q906 WeakPolarHBondContact OG1-CG 3.22Å; T903-Q906 PolarHBondContact OG1-N 3.45Å; T903-Q906 PolarHBondContact OG1-OE1 3.48Å; Q906-V909 PolarHBondContact O-N 2.77Å; Q906-I910 WeakPolarHBondContact O-CG1 3.38Å; Q906-I910 PolarHBondContact O-N 3.44Å |
| 907 | C | 78.8 | Confident | 74.1 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.1 | -65 | 0 | 0 | 0 | 0 | 111.9 | T903 K905 V909 I910 E911 | T903-C907 PolarHBondContact O-N 3.38Å; K905-C907 VanDerWaalsContact C-N 3.34Å; K905-C907 PolarHBondContact O-N 3.33Å; C907-V909 PolarHBondContact O-N 3.01Å; C907-I910 PolarHBondContact O-N 3.24Å; C907-E911 WeakPolarHBondContact O-CG 3.25Å; C907-E911 PolarHBondContact O-N 3.5Å |
| 908 | A | 79.8 | Confident | 76.6 | Confident | 27 Ų | 27 | 42.9 Ų | 42.9 | 22% | 0.223 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P904 K905 E911 L912 | P904-A908 PolarHBondContact O-N 3.18Å; P904-A908 VanDerWaalsContact O-N 3.16Å; K905-A908 PolarHBondContact O-N 2.87Å; A908-E911 PolarHBondContact O-N 3.37Å; A908-L912 PolarHBondContact O-N 2.92Å; A908-L912 VanDerWaalsContact O-N 3.12Å |
| 909 | V | 83.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 111 | L799 V813 E816 A817 V820 K905 Q906 C907 L912 A913 | L799-V909 HydrophobicContact CD1-CB 4.29Å; L799-V909 HydrophobicContact CD1-CG1 4.02Å; V813-V909 HydrophobicContact CG1-CG2 3.87Å; E816-V909 HydrophobicContact CB-CG2 4.09Å; A817-V909 HydrophobicContact CB-CG1 4.16Å; V820-V909 HydrophobicContact CB-CG1 4.47Å; V820-V909 HydrophobicContact CG2-CG1 4.06Å; K905-V909 WeakPolarHBondContact O-CG2 3.33Å; K905-V909 PolarHBondContact O-N 2.93Å; Q906-V909 PolarHBondContact O-N 2.77Å; C907-V909 PolarHBondContact O-N 3.01Å; V909-L912 PolarHBondContact O-N 2.9Å; V909-A913 VanDerWaalsContact O-CB 3.29Å; V909-A913 WeakPolarHBondContact O-CB 3.29Å; V909-A913 PolarHBondContact O-N 3.38Å |
| 910 | I | 84.7 | Confident | 80.6 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.5 | -66.7 | 163.2 | 0 | 0 | 0 | 111.4 | L799 I863 L902 Q906 C907 L912 A913 L914 L946 | L799-I910 HydrophobicContact CD1-CG1 4.13Å; L799-I910 HydrophobicContact CD2-CD1 3.41Å; L799-I910 VanDerWaalsContact CD2-CD1 3.41Å; L799-I910 HydrophobicContact CD2-CG1 3.75Å; I863-I910 HydrophobicContact CG2-CD1 3.96Å; L902-I910 HydrophobicContact CD1-CD1 4.1Å; Q906-I910 WeakPolarHBondContact O-CG1 3.38Å; Q906-I910 PolarHBondContact O-N 3.44Å; C907-I910 PolarHBondContact O-N 3.24Å; I910-L912 VanDerWaalsContact C-N 3.33Å; I910-L912 PolarHBondContact O-N 3.18Å; I910-A913 WeakPolarHBondContact O-CB 3.36Å; I910-A913 PolarHBondContact O-N 2.84Å; I910-L914 HydrophobicContact CG2-CD1 3.99Å; I910-L914 HydrophobicContact CG2-CG 4.12Å; I910-L914 VanDerWaalsContact O-CG 3.28Å; I910-L914 WeakPolarHBondContact O-CG 3.42Å; I910-L914 PolarHBondContact O-N 2.94Å; I910-L946 HydrophobicContact CB-CD2 4.44Å; I910-L946 HydrophobicContact CD1-CD2 4.07Å; I910-L946 HydrophobicContact CG2-CD1 3.77Å; I910-L946 HydrophobicContact CG2-CD2 4.13Å |
| 911 | E | 82.9 | Confident | 82.2 | Confident | 106 Ų | 106 | 35.5 Ų | 35.5 | 50% | 0.495 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.9 | -43 | 178.9 | -78.2 | -174.9 | 173.7 | 0 | 0 | 112.2 | C907 A908 L914 D915 | C907-E911 WeakPolarHBondContact O-CG 3.25Å; C907-E911 PolarHBondContact O-N 3.5Å; A908-E911 PolarHBondContact O-N 3.37Å; E911-L914 PolarHBondContact O-N 2.92Å; E911-D915 PolarHBondContact O-N 3.46Å |
| 912 | L | 85.6 | Confident | 83.5 | Confident | 62 Ų | 62 | 35 Ų | 35 | 33% | 0.325 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 174.5 | -174.4 | 63.3 | 0 | 0 | 0 | 111.5 | V814 A817 A908 V909 I910 L914 D915 T916 | V814-L912 HydrophobicContact CB-CD2 4.19Å; V814-L912 HydrophobicContact CG1-CD2 4.47Å; V814-L912 HydrophobicContact CG2-CD2 3.89Å; A817-L912 HydrophobicContact CB-CB 4.21Å; A817-L912 HydrophobicContact CB-CD2 3.83Å; A817-L912 HydrophobicContact CB-CG 4.1Å; A908-L912 PolarHBondContact O-N 2.92Å; A908-L912 VanDerWaalsContact O-N 3.12Å; V909-L912 PolarHBondContact O-N 2.9Å; I910-L912 VanDerWaalsContact C-N 3.33Å; I910-L912 PolarHBondContact O-N 3.18Å; L912-L914 VanDerWaalsContact C-N 3.33Å; L912-L914 PolarHBondContact O-N 2.84Å; L912-D915 PolarHBondContact O-N 3.46Å; L912-T916 PolarHBondContact O-N 3.08Å; L912-T916 VanDerWaalsContact O-N 3.16Å; L912-T916 PolarHBondContact O-OG1 3.2Å |
| 913 | A | 86.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L821 V909 I910 D915 T916 I917 | L821-A913 HydrophobicContact CD1-CB 4.1Å; L821-A913 HydrophobicContact CD2-CB 3.76Å; L821-A913 HydrophobicContact CG-CB 3.8Å; V909-A913 VanDerWaalsContact O-CB 3.29Å; V909-A913 WeakPolarHBondContact O-CB 3.29Å; V909-A913 PolarHBondContact O-N 3.38Å; I910-A913 WeakPolarHBondContact O-CB 3.36Å; I910-A913 PolarHBondContact O-N 2.84Å; A913-D915 VanDerWaalsContact C-N 3.33Å; A913-D915 PolarHBondContact O-N 3.26Å; A913-T916 PolarHBondContact O-N 3.01Å; A913-I917 WeakPolarHBondContact O-CG1 3.35Å; A913-I917 PolarHBondContact O-N 3.1Å |
| 914 | L | 87.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.7 | -71.5 | 174.3 | 0 | 0 | 0 | 112.6 | M856 M859 I910 E911 L912 T916 K918 L939 L942 L946 | M856-L914 HydrophobicContact CE-CD2 4.29Å; M856-L914 HydrophobicContact SD-CD2 4.23Å; M859-L914 HydrophobicContact CE-CD2 3.66Å; M859-L914 HydrophobicContact CE-CG 4.47Å; M859-L914 HydrophobicContact SD-CD2 4Å; I910-L914 HydrophobicContact CG2-CD1 3.99Å; I910-L914 HydrophobicContact CG2-CG 4.12Å; I910-L914 VanDerWaalsContact O-CG 3.28Å; I910-L914 WeakPolarHBondContact O-CG 3.42Å; I910-L914 PolarHBondContact O-N 2.94Å; E911-L914 PolarHBondContact O-N 2.92Å; L912-L914 VanDerWaalsContact C-N 3.33Å; L912-L914 PolarHBondContact O-N 2.84Å; L914-T916 VanDerWaalsContact C-N 3.33Å; L914-K918 VanDerWaalsContact O-CB 3.27Å; L914-K918 WeakPolarHBondContact O-CB 3.27Å; L914-K918 PolarHBondContact O-N 3.44Å; L914-L939 HydrophobicContact CD1-CD1 4.46Å; L914-L942 HydrophobicContact CD1-CD2 3.81Å; L914-L942 HydrophobicContact CD1-CG 4.12Å; L914-L942 HydrophobicContact CD2-CD2 3.47Å; L914-L942 VanDerWaalsContact CD2-CD2 3.47Å; L914-L942 HydrophobicContact CG-CD2 4.29Å; L914-L946 HydrophobicContact CD1-CD1 3.83Å |
| 915 | D | 86.2 | Confident | 85.1 | Confident | 56 Ų | 56 | 36.5 Ų | 36.5 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.5 | -34.1 | 176 | -87.7 | -2.1 | 0 | 0 | 0 | 112.2 | E911 L912 A913 K918 Q919 R943 | E911-D915 PolarHBondContact O-N 3.46Å; L912-D915 PolarHBondContact O-N 3.46Å; A913-D915 VanDerWaalsContact C-N 3.33Å; A913-D915 PolarHBondContact O-N 3.26Å; D915-K918 WeakPolarHBondContact O-CB 3.35Å; D915-K918 IonicContact OD1-NZ 2.61Å; D915-K918 PolarHBondContact OD1-NZ 3.46Å; D915-K918 IonicContact OD2-NZ 3.72Å; D915-Q919 WeakPolarHBondContact O-CG 3.31Å; D915-Q919 PolarHBondContact O-N 3.45Å; D915-R943 IonicContact OD1-NH2 2.62Å; D915-R943 PolarHBondContact OD1-NH2 3.47Å; D915-R943 VanDerWaalsContact OD1-NH2 3.15Å |
| 916 | T | 87.5 | Confident | 85.3 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.7 | -47.7 | 172.7 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | L821 M825 L912 A913 L914 K918 Q919 Y920 | L821-T916 HydrophobicContact CD1-CG2 3.66Å; M825-T916 HydrophobicContact CE-CG2 3.88Å; L912-T916 PolarHBondContact O-N 3.08Å; L912-T916 VanDerWaalsContact O-N 3.16Å; L912-T916 PolarHBondContact O-OG1 3.2Å; A913-T916 PolarHBondContact O-N 3.01Å; L914-T916 VanDerWaalsContact C-N 3.33Å; T916-K918 PolarHBondContact O-N 2.96Å; T916-Q919 WeakPolarHBondContact O-CA 3.3Å; T916-Q919 WeakPolarHBondContact O-CB 3.45Å; T916-Q919 PolarHBondContact O-N 3.01Å; T916-Y920 HydrophobicContact CG2-CD2 4.11Å; T916-Y920 HydrophobicContact CG2-CE2 4.07Å; T916-Y920 WeakPolarHBondContact O-CD2 3.41Å; T916-Y920 PolarHBondContact O-N 3.44Å |
| 917 | I | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.9 | -42.5 | 175.8 | -65.7 | 168.5 | 0 | 0 | 0 | 110.3 | L821 W852 V855 M856 M859 A913 Q919 Y920 F921 | L821-I917 HydrophobicContact CD2-CD1 3.6Å; L821-I917 HydrophobicContact CD2-CG1 3.51Å; W852-I917 HydrophobicContact CZ3-CG2 4.09Å; V855-I917 HydrophobicContact CG1-CG2 4.41Å; M856-I917 HydrophobicContact CE-CG2 3.88Å; M859-I917 HydrophobicContact CE-CD1 3.88Å; M859-I917 HydrophobicContact SD-CD1 3.57Å; M859-I917 VanDerWaalsContact SD-CD1 3.57Å; A913-I917 WeakPolarHBondContact O-CG1 3.35Å; A913-I917 PolarHBondContact O-N 3.1Å; I917-Q919 VanDerWaalsContact C-N 3.32Å; I917-Q919 PolarHBondContact O-N 2.57Å; I917-Y920 WeakPolarHBondContact O-CB 3.39Å; I917-Y920 PolarHBondContact O-N 2.91Å; I917-Y920 VanDerWaalsContact O-N 3.17Å; I917-F921 HydrophobicContact CG2-CD2 3.81Å; I917-F921 HydrophobicContact CG2-CE2 3.88Å; I917-F921 WeakPolarHBondContact O-CD2 3.34Å; I917-F921 PolarHBondContact O-N 3.44Å |
| 918 | K | 90 | Very high | 86.3 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -40.3 | 174.7 | -178.8 | -177 | 68.9 | -168.3 | 0 | 112.7 | W852 L914 D915 T916 H922 L933 E934 | W852-K918 HydrophobicContact CH2-CB 4.05Å; W852-K918 HydrophobicContact CH2-CG 4.37Å; W852-K918 HydrophobicContact CZ3-CB 4.31Å; L914-K918 VanDerWaalsContact O-CB 3.27Å; L914-K918 WeakPolarHBondContact O-CB 3.27Å; L914-K918 PolarHBondContact O-N 3.44Å; D915-K918 WeakPolarHBondContact O-CB 3.35Å; D915-K918 IonicContact OD1-NZ 2.61Å; D915-K918 PolarHBondContact OD1-NZ 3.46Å; D915-K918 IonicContact OD2-NZ 3.72Å; T916-K918 PolarHBondContact O-N 2.96Å; K918-H922 WeakPolarHBondContact O-CB 3.43Å; K918-H922 PolarHBondContact O-N 2.92Å; K918-H922 VanDerWaalsContact O-N 3.07Å; K918-L933 HydrophobicContact CD-CB 4.46Å; K918-L933 HydrophobicContact CG-CB 3.99Å; K918-L933 HydrophobicContact CG-CD1 3.9Å; K918-L933 WeakPolarHBondContact O-CD1 3.5Å; K918-E934 WeakPolarHBondContact CD-OE1 3.26Å; K918-E934 VanDerWaalsContact CE-OE1 3.31Å; K918-E934 WeakPolarHBondContact CE-OE1 3.36Å; K918-E934 IonicContact NZ-OE1 3.55Å; K918-E934 PolarHBondContact NZ-OE1 2.73Å |
| 919 | Q | 87.4 | Confident | 86.8 | Confident | 119 Ų | 119 | 44.8 Ų | 44.8 | 56% | 0.556 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.8 | -37.5 | 176.2 | -70.4 | 177.4 | 29.4 | 0 | 0 | 112.1 | D915 T916 I917 H922 A923 | D915-Q919 WeakPolarHBondContact O-CG 3.31Å; D915-Q919 PolarHBondContact O-N 3.45Å; T916-Q919 WeakPolarHBondContact O-CA 3.3Å; T916-Q919 WeakPolarHBondContact O-CB 3.45Å; T916-Q919 PolarHBondContact O-N 3.01Å; I917-Q919 VanDerWaalsContact C-N 3.32Å; I917-Q919 PolarHBondContact O-N 2.57Å; Q919-H922 WeakPolarHBondContact O-CB 3.32Å; Q919-H922 PolarHBondContact O-N 2.95Å; Q919-A923 PolarHBondContact O-N 3.24Å |
| 920 | Y | 87.2 | Confident | 87 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 176.8 | -89.8 | -109.7 | 0 | 0 | 0 | 112.4 | M825 D829 T916 I917 H922 A923 | M825-Y920 HydrophobicContact CE-CD1 4.31Å; M825-Y920 HydrophobicContact CE-CD2 3.83Å; M825-Y920 HydrophobicContact CE-CE1 3.71Å; M825-Y920 HydrophobicContact CE-CE2 3.2Å; M825-Y920 HydrophobicContact CE-CG 4.36Å; M825-Y920 VanDerWaalsContact CE-OH 3.28Å; M825-Y920 WeakPolarHBondContact CE-OH 3.33Å; M825-Y920 HydrophobicContact SD-CD1 4Å; M825-Y920 HydrophobicContact SD-CD2 4.02Å; M825-Y920 HydrophobicContact SD-CE1 3.89Å; M825-Y920 HydrophobicContact SD-CE2 3.98Å; M825-Y920 HydrophobicContact SD-CG 4.05Å; D829-Y920 VanDerWaalsContact OD1-CE1 3.23Å; D829-Y920 WeakPolarHBondContact OD1-CE1 3.28Å; T916-Y920 HydrophobicContact CG2-CD2 4.11Å; T916-Y920 HydrophobicContact CG2-CE2 4.07Å; T916-Y920 WeakPolarHBondContact O-CD2 3.41Å; T916-Y920 PolarHBondContact O-N 3.44Å; I917-Y920 WeakPolarHBondContact O-CB 3.39Å; I917-Y920 PolarHBondContact O-N 2.91Å; I917-Y920 VanDerWaalsContact O-N 3.17Å; Y920-H922 PolarHBondContact O-N 2.9Å; Y920-A923 WeakPolarHBondContact O-CB 3.45Å; Y920-A923 PolarHBondContact O-N 2.74Å; Y920-A923 VanDerWaalsContact O-N 3.09Å |
| 921 | F | 90.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -21.3 | 174.1 | -83.8 | -95.5 | 0 | 0 | 0 | 113.2 | L828 L848 L851 W852 V855 I917 L928 L933 | L828-F921 HydrophobicContact CD1-CE2 4.01Å; L828-F921 HydrophobicContact CD2-CE2 3.56Å; L828-F921 HydrophobicContact CD2-CZ 3.67Å; L828-F921 HydrophobicContact CG-CE2 4.48Å; L848-F921 HydrophobicContact CD2-CD1 4.26Å; L848-F921 HydrophobicContact CD2-CE1 4.39Å; L851-F921 HydrophobicContact CB-CE1 3.98Å; L851-F921 HydrophobicContact CB-CZ 4.33Å; W852-F921 HydrophobicContact CB-CD1 3.93Å; W852-F921 HydrophobicContact CB-CE1 3.89Å; W852-F921 HydrophobicContact CE3-CB 3.91Å; W852-F921 HydrophobicContact CE3-CD1 4.12Å; W852-F921 AromaticContact CE3-CD2 3.77Å; W852-F921 HydrophobicContact CE3-CD2 3.77Å; W852-F921 HydrophobicContact CE3-CE2 4.29Å; W852-F921 AromaticContact CE3-CG 3.66Å; W852-F921 HydrophobicContact CE3-CG 3.66Å; W852-F921 HydrophobicContact CZ3-CB 4.25Å; W852-F921 HydrophobicContact CZ3-CD2 4.18Å; W852-F921 HydrophobicContact CZ3-CG 4.3Å; V855-F921 HydrophobicContact CG2-CZ 4.15Å; I917-F921 HydrophobicContact CG2-CD2 3.81Å; I917-F921 HydrophobicContact CG2-CE2 3.88Å; I917-F921 WeakPolarHBondContact O-CD2 3.34Å; I917-F921 PolarHBondContact O-N 3.44Å; F921-L928 HydrophobicContact CD1-CD1 4.24Å; F921-L928 PolarHBondContact O-N 3.49Å; F921-L933 HydrophobicContact CB-CD1 4.49Å; F921-L933 HydrophobicContact CB-CD2 4.36Å |
| 922 | H | 90.6 | Very high | 87.7 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.5 | -34.2 | 171.3 | -179.5 | 51.9 | 0 | 0 | 0 | 112.8 | K918 Q919 Y920 G924 G925 G927 L928 K930 L933 | K918-H922 WeakPolarHBondContact O-CB 3.43Å; K918-H922 PolarHBondContact O-N 2.92Å; K918-H922 VanDerWaalsContact O-N 3.07Å; Q919-H922 WeakPolarHBondContact O-CB 3.32Å; Q919-H922 PolarHBondContact O-N 2.95Å; Y920-H922 PolarHBondContact O-N 2.9Å; H922-G924 VanDerWaalsContact C-N 3.32Å; H922-G924 PolarHBondContact O-N 2.96Å; H922-G925 PolarHBondContact O-N 2.89Å; H922-G927 PolarHBondContact O-N 3.03Å; H922-G927 VanDerWaalsContact O-N 3.14Å; H922-L928 WeakPolarHBondContact CA-O 3.45Å; H922-L928 PolarHBondContact ND1-O 3.34Å; H922-K930 WeakPolarHBondContact CD2-CE 3.3Å; H922-K930 WeakPolarHBondContact NE2-CE 3.17Å; H922-L933 HydrophobicContact CB-CD1 4.12Å |
| 923 | A | 87.8 | Confident | 87.9 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | 46 | 49.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q919 Y920 G925 V926 | Q919-A923 PolarHBondContact O-N 3.24Å; Y920-A923 WeakPolarHBondContact O-CB 3.45Å; Y920-A923 PolarHBondContact O-N 2.74Å; Y920-A923 VanDerWaalsContact O-N 3.09Å; A923-G925 PolarHBondContact O-N 2.88Å; A923-V926 HydrophobicContact CB-CB 4.44Å; A923-V926 WeakPolarHBondContact O-CB 3.32Å; A923-V926 PolarHBondContact O-N 3.31Å |
| 924 | G | 81.9 | Confident | 87.9 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 81% | 0.814 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | 60.8 | 18 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | H922 | H922-G924 VanDerWaalsContact C-N 3.32Å; H922-G924 PolarHBondContact O-N 2.96Å |
| 925 | G | 81.8 | Confident | 88 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | 105 | -6.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H922 A923 | H922-G925 PolarHBondContact O-N 2.89Å; A923-G925 PolarHBondContact O-N 2.88Å |
| 926 | V | 82.6 | Confident | 88.2 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -34.6 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | L844 A923 | L844-V926 HydrophobicContact CD2-CG1 4.44Å; A923-V926 HydrophobicContact CB-CB 4.44Å; A923-V926 WeakPolarHBondContact O-CB 3.32Å; A923-V926 PolarHBondContact O-N 3.31Å |
| 927 | G | 86.8 | Confident | 88.1 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -88.1 | -131.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H922 | H922-G927 PolarHBondContact O-N 3.03Å; H922-G927 VanDerWaalsContact O-N 3.14Å |
| 928 | L | 91.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -78.6 | 146.9 | -179.7 | -60.7 | -179.9 | 0 | 0 | 0 | 111.6 | L848 K849 W852 F921 H922 F932 L933 | L848-L928 HydrophobicContact CB-CD1 4.1Å; L848-L928 HydrophobicContact CB-CD2 3.88Å; L848-L928 HydrophobicContact CB-CG 3.85Å; L848-L928 HydrophobicContact CD1-CG 4.43Å; K849-L928 HydrophobicContact CG-CD1 4.42Å; K849-L928 HydrophobicContact CG-CD2 3.71Å; W852-L928 HydrophobicContact CB-CD1 4.07Å; W852-L928 HydrophobicContact CG-CD1 4.44Å; F921-L928 HydrophobicContact CD1-CD1 4.24Å; F921-L928 PolarHBondContact O-N 3.49Å; H922-L928 WeakPolarHBondContact CA-O 3.45Å; H922-L928 PolarHBondContact ND1-O 3.34Å; L928-F932 HydrophobicContact CB-CD1 4.42Å; L928-F932 HydrophobicContact CD1-CD1 4.23Å; L928-F932 HydrophobicContact CD1-CE1 4.07Å; L928-L933 HydrophobicContact CB-CD1 4.16Å; L928-L933 HydrophobicContact CB-CD2 4.02Å; L928-L933 HydrophobicContact CB-CG 4.05Å; L928-L933 HydrophobicContact CD1-CD2 3.75Å |
| 929 | K | 91.1 | Very high | 87.8 | Confident | 143 Ų | 143 | 62.6 Ų | 62.6 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | trans | -69.6 | 136.2 | 175.9 | -69.5 | -174.1 | 176.1 | -176.2 | 0 | 109.9 | T931 F932 L933 | K929-T931 PolarHBondContact O-N 3.36Å; K929-T931 VanDerWaalsContact O-N 3.15Å; K929-F932 HydrophobicContact CB-CB 4.48Å; K929-F932 WeakPolarHBondContact O-CB 3.25Å; K929-F932 PolarHBondContact O-N 3.15Å; K929-L933 PolarHBondContact O-N 3.31Å; K929-L933 VanDerWaalsContact O-N 3.17Å | ||
| 930 | K | 88.1 | Confident | 87.7 | Confident | 121 Ų | 121 | 62.1 Ų | 62.1 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -51.6 | -39.4 | 174 | -70.4 | -171.5 | 179.2 | -178.1 | 0 | 112.7 | H922 F932 L933 E934 | H922-K930 WeakPolarHBondContact CD2-CE 3.3Å; H922-K930 WeakPolarHBondContact NE2-CE 3.17Å; K930-F932 VanDerWaalsContact C-N 3.28Å; K930-F932 PolarHBondContact O-N 3.34Å; K930-L933 PolarHBondContact O-N 3.41Å; K930-E934 WeakPolarHBondContact O-CG 3.43Å; K930-E934 PolarHBondContact O-N 3.46Å |
| 931 | T | 89.3 | Confident | 87.4 | Confident | 99 Ų | 99 | 60.6 Ų | 60.6 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.9 | -32.2 | 177.7 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | K929 K935 | K929-T931 PolarHBondContact O-N 3.36Å; K929-T931 VanDerWaalsContact O-N 3.15Å; T931-K935 WeakPolarHBondContact O-CB 3.29Å; T931-K935 WeakPolarHBondContact O-CG 3.35Å |
| 932 | F | 91.6 | Very high | 87 | Confident | 74 Ų | 74 | 60.5 Ų | 60.5 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.9 | -44.8 | 174.6 | 169.4 | -94.5 | 0 | 0 | 0 | 110.5 | K849 L928 K929 K930 K935 S936 | K849-F932 HydrophobicContact CB-CZ 4.49Å; K849-F932 HydrophobicContact CD-CE2 4.37Å; K849-F932 HydrophobicContact CD-CZ 4.05Å; K849-F932 HydrophobicContact CG-CE1 3.82Å; K849-F932 HydrophobicContact CG-CE2 4.48Å; K849-F932 HydrophobicContact CG-CZ 3.73Å; L928-F932 HydrophobicContact CB-CD1 4.42Å; L928-F932 HydrophobicContact CD1-CD1 4.23Å; L928-F932 HydrophobicContact CD1-CE1 4.07Å; K929-F932 HydrophobicContact CB-CB 4.48Å; K929-F932 WeakPolarHBondContact O-CB 3.25Å; K929-F932 PolarHBondContact O-N 3.15Å; K930-F932 VanDerWaalsContact C-N 3.28Å; K930-F932 PolarHBondContact O-N 3.34Å; F932-K935 CarbonylContact O-C 3.5Å; F932-K935 PolarHBondContact O-N 2.85Å; F932-S936 PolarHBondContact O-N 2.82Å |
| 933 | L | 90.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | -179.1 | -64.1 | 169.2 | 0 | 0 | 0 | 112.1 | W852 K918 F921 H922 L928 K929 K930 K935 S936 L939 | W852-L933 HydrophobicContact CD2-CD2 3.52Å; W852-L933 HydrophobicContact CE3-CD2 3.64Å; W852-L933 HydrophobicContact CG-CD2 4.12Å; W852-L933 HydrophobicContact CH2-CD2 3.9Å; W852-L933 HydrophobicContact CZ2-CB 4.38Å; W852-L933 HydrophobicContact CZ2-CD2 3.77Å; W852-L933 HydrophobicContact CZ3-CD2 3.83Å; K918-L933 HydrophobicContact CD-CB 4.46Å; K918-L933 HydrophobicContact CG-CB 3.99Å; K918-L933 HydrophobicContact CG-CD1 3.9Å; K918-L933 WeakPolarHBondContact O-CD1 3.5Å; F921-L933 HydrophobicContact CB-CD1 4.49Å; F921-L933 HydrophobicContact CB-CD2 4.36Å; H922-L933 HydrophobicContact CB-CD1 4.12Å; L928-L933 HydrophobicContact CB-CD1 4.16Å; L928-L933 HydrophobicContact CB-CD2 4.02Å; L928-L933 HydrophobicContact CB-CG 4.05Å; L928-L933 HydrophobicContact CD1-CD2 3.75Å; K929-L933 PolarHBondContact O-N 3.31Å; K929-L933 VanDerWaalsContact O-N 3.17Å; K930-L933 PolarHBondContact O-N 3.41Å; L933-K935 VanDerWaalsContact C-N 3.3Å; L933-K935 PolarHBondContact O-N 2.95Å; L933-S936 VanDerWaalsContact O-CB 3.24Å; L933-S936 WeakPolarHBondContact O-CB 3.46Å; L933-S936 PolarHBondContact O-N 2.59Å; L933-L939 WeakPolarHBondContact O-CD2 3.35Å |
| 934 | E | 86.9 | Confident | 86.2 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.7 | -30.9 | 178.6 | -70.2 | -63.3 | 162.2 | 0 | 0 | 113.5 | K918 K930 R943 | K918-E934 WeakPolarHBondContact CD-OE1 3.26Å; K918-E934 VanDerWaalsContact CE-OE1 3.31Å; K918-E934 WeakPolarHBondContact CE-OE1 3.36Å; K918-E934 IonicContact NZ-OE1 3.55Å; K918-E934 PolarHBondContact NZ-OE1 2.73Å; K930-E934 WeakPolarHBondContact O-CG 3.43Å; K930-E934 PolarHBondContact O-N 3.46Å; E934-R943 IonicContact OE2-CZ 2.59Å; E934-R943 IonicContact OE2-NH1 3.38Å; E934-R943 PolarHBondContact OE2-NH1 3.07Å; E934-R943 VanDerWaalsContact OE2-NH1 3.09Å; E934-R943 IonicContact OE2-NH2 3.19Å |
| 935 | K | 89.2 | Confident | 85.8 | Confident | 166 Ų | 166 | 61.2 Ų | 61.2 | 72% | 0.722 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6.1 | 178.1 | -65.1 | -173.8 | 177.9 | -172.8 | 0 | 112.8 | T931 F932 L933 | T931-K935 WeakPolarHBondContact O-CB 3.29Å; T931-K935 WeakPolarHBondContact O-CG 3.35Å; F932-K935 CarbonylContact O-C 3.5Å; F932-K935 PolarHBondContact O-N 2.85Å; L933-K935 VanDerWaalsContact C-N 3.3Å; L933-K935 PolarHBondContact O-N 2.95Å |
| 936 | S | 90.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | trans | -64.3 | 127.9 | -179.1 | 166.6 | 0 | 0 | 0 | 0 | 109.5 | W852 F932 L933 D938 L939 Q940 | W852-S936 PolarHBondContact NE1-OG 3.38Å; F932-S936 PolarHBondContact O-N 2.82Å; L933-S936 VanDerWaalsContact O-CB 3.24Å; L933-S936 WeakPolarHBondContact O-CB 3.46Å; L933-S936 PolarHBondContact O-N 2.59Å; S936-D938 PolarHBondContact O-N 2.8Å; S936-D938 PolarHBondContact OG-N 2.88Å; S936-D938 PolarHBondContact OG-OD2 2.79Å; S936-L939 PolarHBondContact O-N 2.87Å; S936-L939 PolarHBondContact OG-N 2.83Å; S936-Q940 WeakPolarHBondContact O-CG 3.36Å; S936-Q940 PolarHBondContact O-N 3.34Å | ||
| 937 | P | 85.3 | Confident | 85.3 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 60% | 0.597 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.5 | -34.3 | 177 | 26 | -33.3 | 0 | 0 | 0 | 111.2 | Q940 S941 | P937-Q940 PolarHBondContact O-N 2.9Å; P937-S941 WeakPolarHBondContact O-CB 3.13Å; P937-S941 PolarHBondContact O-N 2.8Å |
| 938 | D | 86.9 | Confident | 84.6 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 178.8 | -43.9 | -91.2 | 0 | 0 | 0 | 111.5 | K853 M856 N857 S936 L942 | K853-D938 WeakPolarHBondContact CG-OD1 3.29Å; M856-D938 HydrophobicContact CB-CB 3.67Å; M856-D938 HydrophobicContact CG-CB 4.16Å; N857-D938 PolarHBondContact ND2-OD1 3.34Å; N857-D938 VanDerWaalsContact ND2-OD1 3.09Å; S936-D938 PolarHBondContact O-N 2.8Å; S936-D938 PolarHBondContact OG-N 2.88Å; S936-D938 PolarHBondContact OG-OD2 2.79Å; D938-L942 WeakPolarHBondContact O-CB 3.49Å; D938-L942 PolarHBondContact O-N 2.62Å; D938-L942 VanDerWaalsContact O-N 3.1Å |
| 939 | L | 86.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 175.5 | -178.6 | 63.9 | 0 | 0 | 0 | 112.2 | W852 M856 L914 L933 S936 L942 R943 | W852-L939 HydrophobicContact CH2-CD2 4.47Å; W852-L939 HydrophobicContact CZ2-CB 3.99Å; W852-L939 HydrophobicContact CZ2-CD1 4.46Å; W852-L939 HydrophobicContact CZ2-CD2 4.12Å; W852-L939 HydrophobicContact CZ2-CG 4.4Å; M856-L939 HydrophobicContact SD-CB 4.41Å; M856-L939 HydrophobicContact SD-CD1 3.9Å; L914-L939 HydrophobicContact CD1-CD1 4.46Å; L933-L939 WeakPolarHBondContact O-CD2 3.35Å; S936-L939 PolarHBondContact O-N 2.87Å; S936-L939 PolarHBondContact OG-N 2.83Å; L939-L942 PolarHBondContact O-N 3.43Å; L939-R943 HydrophobicContact CD1-CG 4.42Å; L939-R943 WeakPolarHBondContact O-CB 3.27Å; L939-R943 WeakPolarHBondContact O-CG 3.41Å; L939-R943 PolarHBondContact O-N 2.95Å |
| 940 | Q | 84.7 | Confident | 82.4 | Confident | 109 Ų | 109 | 55.6 Ų | 55.6 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.4 | -73.1 | 179.2 | 0.9 | 0 | 0 | 111.7 | S936 P937 Y944 | S936-Q940 WeakPolarHBondContact O-CG 3.36Å; S936-Q940 PolarHBondContact O-N 3.34Å; P937-Q940 PolarHBondContact O-N 2.9Å; Q940-Y944 WeakPolarHBondContact O-CB 3.45Å; Q940-Y944 PolarHBondContact O-N 2.82Å |
| 941 | S | 82.3 | Confident | 81.8 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 36% | 0.357 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 173.8 | -165.9 | 0 | 0 | 0 | 0 | 111 | E860 P937 R943 Y944 A945 | E860-S941 PolarHBondContact OE1-OG 3.19Å; E860-S941 PolarHBondContact OE2-OG 3.38Å; P937-S941 WeakPolarHBondContact O-CB 3.13Å; P937-S941 PolarHBondContact O-N 2.8Å; S941-R943 PolarHBondContact O-N 3.29Å; S941-Y944 WeakPolarHBondContact O-CB 3.06Å; S941-Y944 PolarHBondContact O-N 3.09Å; S941-Y944 VanDerWaalsContact O-N 3.17Å; S941-A945 PolarHBondContact O-N 3.18Å |
| 942 | L | 82.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 178.9 | -177.1 | 60.5 | 0 | 0 | 0 | 113 | M856 M859 E860 V864 L914 D938 L939 Y944 A945 L946 | M856-L942 HydrophobicContact SD-CD2 4.05Å; M859-L942 HydrophobicContact CB-CD2 4.26Å; E860-L942 VanDerWaalsContact CA-CD1 3.49Å; E860-L942 HydrophobicContact CB-CD1 3.7Å; E860-L942 HydrophobicContact CG-CD1 3.99Å; V864-L942 HydrophobicContact CB-CD1 3.96Å; V864-L942 HydrophobicContact CG1-CD1 4.35Å; V864-L942 HydrophobicContact CG2-CD1 3.51Å; L914-L942 HydrophobicContact CD1-CD2 3.81Å; L914-L942 HydrophobicContact CD1-CG 4.12Å; L914-L942 HydrophobicContact CD2-CD2 3.47Å; L914-L942 VanDerWaalsContact CD2-CD2 3.47Å; L914-L942 HydrophobicContact CG-CD2 4.29Å; D938-L942 WeakPolarHBondContact O-CB 3.49Å; D938-L942 PolarHBondContact O-N 2.62Å; D938-L942 VanDerWaalsContact O-N 3.1Å; L939-L942 PolarHBondContact O-N 3.43Å; L942-Y944 VanDerWaalsContact C-N 3.3Å; L942-Y944 PolarHBondContact O-N 2.86Å; L942-A945 PolarHBondContact O-N 3.19Å; L942-L946 HydrophobicContact CG-CD1 4.49Å; L942-L946 WeakPolarHBondContact O-CG 3.28Å; L942-L946 PolarHBondContact O-N 3.35Å |
| 943 | R | 82.7 | Confident | 80.8 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 33% | 0.328 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 174.7 | -78.9 | -177.5 | 169.7 | 167.1 | -2.8 | 111.6 | D915 E934 L939 S941 L946 S947 | D915-R943 IonicContact OD1-NH2 2.62Å; D915-R943 PolarHBondContact OD1-NH2 3.47Å; D915-R943 VanDerWaalsContact OD1-NH2 3.15Å; E934-R943 IonicContact OE2-CZ 2.59Å; E934-R943 IonicContact OE2-NH1 3.38Å; E934-R943 PolarHBondContact OE2-NH1 3.07Å; E934-R943 VanDerWaalsContact OE2-NH1 3.09Å; E934-R943 IonicContact OE2-NH2 3.19Å; L939-R943 HydrophobicContact CD1-CG 4.42Å; L939-R943 WeakPolarHBondContact O-CB 3.27Å; L939-R943 WeakPolarHBondContact O-CG 3.41Å; L939-R943 PolarHBondContact O-N 2.95Å; S941-R943 PolarHBondContact O-N 3.29Å; R943-L946 PolarHBondContact O-N 3.12Å; R943-S947 PolarHBondContact O-N 3.42Å |
| 944 | Y | 78.6 | Confident | 80.4 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 34% | 0.341 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.6 | 175.6 | -103.5 | 0 | 0 | 0 | 111.3 | Q940 S941 L942 L946 S947 L948 K959 | Q940-Y944 WeakPolarHBondContact O-CB 3.45Å; Q940-Y944 PolarHBondContact O-N 2.82Å; S941-Y944 WeakPolarHBondContact O-CB 3.06Å; S941-Y944 PolarHBondContact O-N 3.09Å; S941-Y944 VanDerWaalsContact O-N 3.17Å; L942-Y944 VanDerWaalsContact C-N 3.3Å; L942-Y944 PolarHBondContact O-N 2.86Å; Y944-L946 PolarHBondContact O-N 3.33Å; Y944-S947 WeakPolarHBondContact O-CB 3.45Å; Y944-S947 PolarHBondContact O-N 2.94Å; Y944-S947 VanDerWaalsContact O-N 3.16Å; Y944-S947 PolarHBondContact O-OG 3.16Å; Y944-L948 HydrophobicContact CD1-CD1 4.46Å; Y944-L948 HydrophobicContact CE1-CD1 4Å; Y944-L948 PolarHBondContact O-N 3.04Å; Y944-K959 VanDerWaalsContact CZ-NZ 3.3Å; Y944-K959 WeakPolarHBondContact OH-CE 3.43Å; Y944-K959 PolarHBondContact OH-NZ 3.23Å |
| 945 | A | 73.8 | Confident | 80.2 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V864 S941 L942 S947 L948 Y949 | V864-A945 HydrophobicContact CG1-CB 3.72Å; S941-A945 PolarHBondContact O-N 3.18Å; L942-A945 PolarHBondContact O-N 3.19Å; A945-S947 VanDerWaalsContact C-N 3.34Å; A945-S947 PolarHBondContact O-N 2.75Å; A945-L948 PolarHBondContact O-N 3.45Å; A945-Y949 WeakPolarHBondContact O-CD2 3.29Å |
| 946 | L | 75.3 | Confident | 79.9 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.3 | -73.3 | 167.1 | 0 | 0 | 0 | 112.4 | V864 I910 L914 L942 R943 Y944 L948 Y949 | V864-L946 HydrophobicContact CB-CD2 4.47Å; V864-L946 HydrophobicContact CG1-CD2 3.87Å; V864-L946 HydrophobicContact CG1-CG 3.95Å; V864-L946 HydrophobicContact CG2-CD2 3.75Å; V864-L946 HydrophobicContact CG2-CG 4.13Å; I910-L946 HydrophobicContact CB-CD2 4.44Å; I910-L946 HydrophobicContact CD1-CD2 4.07Å; I910-L946 HydrophobicContact CG2-CD1 3.77Å; I910-L946 HydrophobicContact CG2-CD2 4.13Å; L914-L946 HydrophobicContact CD1-CD1 3.83Å; L942-L946 HydrophobicContact CG-CD1 4.49Å; L942-L946 WeakPolarHBondContact O-CG 3.28Å; L942-L946 PolarHBondContact O-N 3.35Å; R943-L946 PolarHBondContact O-N 3.12Å; Y944-L946 PolarHBondContact O-N 3.33Å; L946-L948 PolarHBondContact O-N 3.21Å; L946-L948 VanDerWaalsContact O-N 3.16Å; L946-Y949 PolarHBondContact O-N 3.44Å |
| 947 | S | 76.8 | Confident | 79.7 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.4 | -19.3 | -179.6 | 81.1 | 0 | 0 | 0 | 0 | 114.4 | R943 Y944 A945 T950 Q951 | R943-S947 PolarHBondContact O-N 3.42Å; Y944-S947 WeakPolarHBondContact O-CB 3.45Å; Y944-S947 PolarHBondContact O-N 2.94Å; Y944-S947 VanDerWaalsContact O-N 3.16Å; Y944-S947 PolarHBondContact O-OG 3.16Å; A945-S947 VanDerWaalsContact C-N 3.34Å; A945-S947 PolarHBondContact O-N 2.75Å; S947-T950 PolarHBondContact O-OG1 3.49Å; S947-Q951 WeakPolarHBondContact O-CG 3.38Å; S947-Q951 PolarHBondContact O-NE2 3.26Å |
| 948 | L | 72.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.4 | -26.9 | 179.9 | -65.6 | 174.1 | 0 | 0 | 0 | 112.2 | Y944 A945 L946 T950 Q951 L956 K959 T1131 I1135 | Y944-L948 HydrophobicContact CD1-CD1 4.46Å; Y944-L948 HydrophobicContact CE1-CD1 4Å; Y944-L948 PolarHBondContact O-N 3.04Å; A945-L948 PolarHBondContact O-N 3.45Å; L946-L948 PolarHBondContact O-N 3.21Å; L946-L948 VanDerWaalsContact O-N 3.16Å; L948-T950 VanDerWaalsContact C-N 3.26Å; L948-T950 PolarHBondContact O-N 3.13Å; L948-Q951 PolarHBondContact O-N 3.17Å; L948-L956 HydrophobicContact CB-CD2 4.37Å; L948-L956 HydrophobicContact CD2-CD2 4.06Å; L948-K959 HydrophobicContact CD2-CD 4.16Å; L948-T1131 HydrophobicContact CD1-CG2 3.62Å; L948-I1135 HydrophobicContact CB-CD1 3.27Å; L948-I1135 HydrophobicContact CD1-CD1 3.94Å; L948-I1135 HydrophobicContact CG-CD1 4.25Å |
| 949 | Y | 69.6 | Low | 79.5 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -29.2 | -179.9 | -81.9 | -86.2 | 0 | 0 | 0 | 113.4 | V864 P866 L902 A945 L946 I1135 | V864-Y949 HydrophobicContact CG1-CE2 4.1Å; V864-Y949 WeakPolarHBondContact O-CE2 3.44Å; V864-Y949 PolarHBondContact O-OH 2.77Å; P866-Y949 VanDerWaalsContact CD-OH 3.24Å; P866-Y949 WeakPolarHBondContact CD-OH 3.41Å; P866-Y949 VanDerWaalsContact CG-OH 3.27Å; P866-Y949 WeakPolarHBondContact CG-OH 3.48Å; L902-Y949 HydrophobicContact CB-CD1 4.13Å; L902-Y949 HydrophobicContact CB-CE1 4.35Å; L902-Y949 HydrophobicContact CB-CG 4.49Å; L902-Y949 HydrophobicContact CD1-CD2 4.49Å; L902-Y949 HydrophobicContact CD1-CE2 4.27Å; L902-Y949 HydrophobicContact CG-CE1 4.43Å; A945-Y949 WeakPolarHBondContact O-CD2 3.29Å; L946-Y949 PolarHBondContact O-N 3.44Å; Y949-I1135 HydrophobicContact CD2-CD1 4.37Å; Y949-I1135 HydrophobicContact CE1-CG1 4.41Å; Y949-I1135 HydrophobicContact CE2-CD1 4.3Å; Y949-I1135 HydrophobicContact CE2-CG1 4.33Å |
| 950 | T | 67.3 | Low | 79.5 | Confident | 98 Ų | 98 | 47 Ų | 47 | 60% | 0.601 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.3 | -176.4 | 58.4 | 0 | 0 | 0 | 0 | 114 | S947 L948 | S947-T950 PolarHBondContact O-OG1 3.49Å; L948-T950 VanDerWaalsContact C-N 3.26Å; L948-T950 PolarHBondContact O-N 3.13Å |
| 951 | Q | 75.9 | Confident | 79.6 | Confident | 50 Ų | 50 | 41.9 Ų | 41.9 | 23% | 0.234 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -88.2 | 147.6 | -176.7 | -57.9 | -169.5 | 19.6 | 0 | 0 | 113.2 | S947 L948 K955 L956 R1139 | S947-Q951 WeakPolarHBondContact O-CG 3.38Å; S947-Q951 PolarHBondContact O-NE2 3.26Å; L948-Q951 PolarHBondContact O-N 3.17Å; Q951-K955 HydrophobicContact CB-CB 4.5Å; Q951-L956 HydrophobicContact CB-CD2 4Å; Q951-L956 HydrophobicContact CB-CG 4.03Å; Q951-R1139 VanDerWaalsContact O-CZ 3.26Å; Q951-R1139 PolarHBondContact O-NH1 3.17Å; Q951-R1139 PolarHBondContact O-NH2 3.02Å |
| 952 | A | 78.5 | Confident | 79.6 | Confident | 56 Ų | 56 | 42.9 Ų | 42.9 | 46% | 0.463 | 21% | 0.211 | S | C | . | . | trans | -66.6 | 155.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D954 K955 L956 | A952-D954 VanDerWaalsContact C-N 3.34Å; A952-D954 PolarHBondContact O-N 3.07Å; A952-K955 PolarHBondContact O-N 3.47Å; A952-K955 VanDerWaalsContact O-N 3.12Å; A952-L956 PolarHBondContact O-N 2.93Å; A952-L956 VanDerWaalsContact O-N 3.13Å | ||
| 953 | T | 81.1 | Confident | 79.7 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | -175.8 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | K955 L956 I957 L1136 R1139 D1142 A1145 | T953-K955 VanDerWaalsContact C-N 3.34Å; T953-K955 PolarHBondContact O-N 3.35Å; T953-L956 PolarHBondContact O-N 3.08Å; T953-I957 HydrophobicContact CG2-CD1 3.82Å; T953-I957 HydrophobicContact CG2-CG1 4.39Å; T953-I957 WeakPolarHBondContact O-CG1 3.49Å; T953-I957 PolarHBondContact O-N 2.91Å; T953-L1136 HydrophobicContact CG2-CD2 3.87Å; T953-R1139 VanDerWaalsContact CA-NH1 3.33Å; T953-R1139 PolarHBondContact OG1-NH1 2.99Å; T953-D1142 WeakPolarHBondContact CB-OD2 3.19Å; T953-D1142 VanDerWaalsContact CG2-OD2 3.29Å; T953-D1142 WeakPolarHBondContact CG2-OD2 3.34Å; T953-D1142 PolarHBondContact OG1-OD2 2.97Å; T953-A1145 HydrophobicContact CG2-CB 4.06Å |
| 954 | D | 81.6 | Confident | 79.8 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -38.5 | 176.9 | -71.6 | -54.1 | 0 | 0 | 0 | 113 | A952 L956 I957 R958 P1040 H1041 | A952-D954 VanDerWaalsContact C-N 3.34Å; A952-D954 PolarHBondContact O-N 3.07Å; D954-L956 VanDerWaalsContact C-N 3.34Å; D954-L956 PolarHBondContact O-N 3.1Å; D954-I957 PolarHBondContact O-N 3.31Å; D954-R958 VanDerWaalsContact O-CB 3.31Å; D954-R958 WeakPolarHBondContact O-CB 3.47Å; D954-R958 PolarHBondContact O-N 3.4Å; D954-P1040 HydrophobicContact CB-CB 3.94Å; D954-P1040 WeakPolarHBondContact OD1-CA 3.42Å; D954-H1041 PolarHBondContact OD1-N 2.84Å; D954-H1041 IonicContact OD2-ND1 3.49Å |
| 955 | K | 82.7 | Confident | 79.6 | Confident | 143 Ų | 143 | 42.6 Ų | 42.6 | 62% | 0.622 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.3 | -39.4 | 176.6 | -71.8 | -172.6 | 178.5 | -179.7 | 0 | 111.4 | Q951 A952 T953 K959 | Q951-K955 HydrophobicContact CB-CB 4.5Å; A952-K955 PolarHBondContact O-N 3.47Å; A952-K955 VanDerWaalsContact O-N 3.12Å; T953-K955 VanDerWaalsContact C-N 3.34Å; T953-K955 PolarHBondContact O-N 3.35Å; K955-K959 WeakPolarHBondContact O-CB 3.32Å; K955-K959 PolarHBondContact O-N 3.23Å |
| 956 | L | 83.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.2 | -45.6 | 176.6 | -70.7 | 176.7 | 0 | 0 | 0 | 111.8 | L948 Q951 A952 T953 D954 K959 F960 V1132 I1135 L1136 | L948-L956 HydrophobicContact CB-CD2 4.37Å; L948-L956 HydrophobicContact CD2-CD2 4.06Å; Q951-L956 HydrophobicContact CB-CD2 4Å; Q951-L956 HydrophobicContact CB-CG 4.03Å; A952-L956 PolarHBondContact O-N 2.93Å; A952-L956 VanDerWaalsContact O-N 3.13Å; T953-L956 PolarHBondContact O-N 3.08Å; D954-L956 VanDerWaalsContact C-N 3.34Å; D954-L956 PolarHBondContact O-N 3.1Å; L956-K959 PolarHBondContact O-N 3.42Å; L956-F960 PolarHBondContact O-N 3.49Å; L956-V1132 HydrophobicContact CB-CG1 4Å; L956-V1132 HydrophobicContact CD2-CG2 4.44Å; L956-I1135 HydrophobicContact CD1-CG2 3.9Å; L956-L1136 HydrophobicContact CB-CD1 4.41Å; L956-L1136 HydrophobicContact CB-CD2 4.08Å; L956-L1136 HydrophobicContact CB-CG 4.37Å; L956-L1136 HydrophobicContact CD1-CD2 3.74Å; L956-L1136 HydrophobicContact CD1-CG 4.28Å |
| 957 | I | 85.5 | Confident | 79.7 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 177 | -67.5 | 173.9 | 0 | 0 | 0 | 110.9 | T953 D954 K959 F960 V961 I1038 L1136 V1144 F1148 | T953-I957 HydrophobicContact CG2-CD1 3.82Å; T953-I957 HydrophobicContact CG2-CG1 4.39Å; T953-I957 WeakPolarHBondContact O-CG1 3.49Å; T953-I957 PolarHBondContact O-N 2.91Å; D954-I957 PolarHBondContact O-N 3.31Å; I957-K959 VanDerWaalsContact C-N 3.34Å; I957-K959 PolarHBondContact O-N 3.27Å; I957-F960 WeakPolarHBondContact O-CB 3.44Å; I957-F960 PolarHBondContact O-N 3.46Å; I957-V961 WeakPolarHBondContact O-CG2 3.28Å; I957-V961 PolarHBondContact O-N 3.19Å; I957-I1038 HydrophobicContact CG2-CG2 4.43Å; I957-L1136 HydrophobicContact CG1-CD1 3.83Å; I957-V1144 HydrophobicContact CD1-CG1 3.7Å; I957-F1148 HydrophobicContact CD1-CB 4.45Å; I957-F1148 HydrophobicContact CD1-CD2 4.33Å; I957-F1148 HydrophobicContact CD1-CG 4.37Å; I957-F1148 HydrophobicContact CG1-CD2 4.22Å; I957-F1148 HydrophobicContact CG1-CE2 4.4Å; I957-F1148 HydrophobicContact CG1-CG 4.36Å; I957-F1148 HydrophobicContact CG2-CD2 4.35Å; I957-F1148 HydrophobicContact CG2-CE2 4.19Å |
| 958 | R | 85.9 | Confident | 79.6 | Confident | 107 Ų | 107 | 43.6 Ų | 43.6 | 40% | 0.404 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.9 | -46 | 174.3 | -174.9 | 179.2 | -178.7 | -159.6 | -2.3 | 111.5 | D954 F960 V961 L962 P1040 | D954-R958 VanDerWaalsContact O-CB 3.31Å; D954-R958 WeakPolarHBondContact O-CB 3.47Å; D954-R958 PolarHBondContact O-N 3.4Å; R958-F960 VanDerWaalsContact C-N 3.31Å; R958-F960 PolarHBondContact O-N 3.44Å; R958-V961 PolarHBondContact O-N 3.2Å; R958-L962 HydrophobicContact CG-CD1 4.01Å; R958-L962 HydrophobicContact CG-CG 4.5Å; R958-L962 WeakPolarHBondContact O-CG 3.23Å; R958-L962 PolarHBondContact O-N 2.87Å; R958-P1040 HydrophobicContact CB-CB 4.24Å; R958-P1040 HydrophobicContact CB-CG 4.06Å; R958-P1040 HydrophobicContact CG-CG 4.35Å |
| 959 | K | 83.2 | Confident | 79.6 | Confident | 59 Ų | 59 | 46 Ų | 46 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 178.3 | -164.4 | 178.4 | -163.9 | -177.8 | 0 | 111.8 | Y944 L948 K955 L956 I957 S963 | Y944-K959 VanDerWaalsContact CZ-NZ 3.3Å; Y944-K959 WeakPolarHBondContact OH-CE 3.43Å; Y944-K959 PolarHBondContact OH-NZ 3.23Å; L948-K959 HydrophobicContact CD2-CD 4.16Å; K955-K959 WeakPolarHBondContact O-CB 3.32Å; K955-K959 PolarHBondContact O-N 3.23Å; L956-K959 PolarHBondContact O-N 3.42Å; I957-K959 VanDerWaalsContact C-N 3.34Å; I957-K959 PolarHBondContact O-N 3.27Å; K959-S963 WeakPolarHBondContact O-CB 3.44Å; K959-S963 PolarHBondContact O-N 3.15Å; K959-S963 PolarHBondContact O-OG 3.25Å |
| 960 | F | 86.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.8 | -60 | 173 | 179.9 | -83.6 | 0 | 0 | 0 | 110.4 | L956 I957 R958 L962 S963 Q964 M1125 V1132 F1148 K1152 | L956-F960 PolarHBondContact O-N 3.49Å; I957-F960 WeakPolarHBondContact O-CB 3.44Å; I957-F960 PolarHBondContact O-N 3.46Å; R958-F960 VanDerWaalsContact C-N 3.31Å; R958-F960 PolarHBondContact O-N 3.44Å; F960-L962 VanDerWaalsContact C-N 3.28Å; F960-L962 PolarHBondContact O-N 3.21Å; F960-S963 PolarHBondContact O-N 2.61Å; F960-S963 VanDerWaalsContact O-N 3.09Å; F960-S963 PolarHBondContact O-OG 3.05Å; F960-Q964 HydrophobicContact CD1-CG 3.94Å; F960-Q964 HydrophobicContact CD2-CG 4.4Å; F960-Q964 HydrophobicContact CE1-CG 3.71Å; F960-Q964 HydrophobicContact CE2-CG 4.19Å; F960-Q964 HydrophobicContact CG-CG 4.28Å; F960-Q964 HydrophobicContact CZ-CG 3.84Å; F960-Q964 VanDerWaalsContact O-CG 3.31Å; F960-Q964 WeakPolarHBondContact O-CG 3.35Å; F960-Q964 PolarHBondContact O-N 2.89Å; F960-M1125 HydrophobicContact CE2-CG 4.1Å; F960-M1125 HydrophobicContact CE2-SD 3.63Å; F960-M1125 HydrophobicContact CZ-CG 3.98Å; F960-M1125 HydrophobicContact CZ-SD 3.78Å; F960-V1132 HydrophobicContact CB-CG1 4.04Å; F960-V1132 HydrophobicContact CD2-CB 4.38Å; F960-V1132 HydrophobicContact CD2-CG1 4.33Å; F960-F1148 HydrophobicContact CB-CZ 4.24Å; F960-F1148 HydrophobicContact CD1-CE2 4.07Å; F960-F1148 AromaticContact CD1-CZ 3.56Å; F960-F1148 HydrophobicContact CD1-CZ 3.56Å; F960-F1148 HydrophobicContact CD2-CE1 4.33Å; F960-F1148 AromaticContact CD2-CZ 3.85Å; F960-F1148 HydrophobicContact CD2-CZ 3.85Å; F960-F1148 HydrophobicContact CE1-CE2 4.26Å; F960-F1148 AromaticContact CE1-CZ 3.74Å; F960-F1148 HydrophobicContact CE1-CZ 3.74Å; F960-F1148 HydrophobicContact CE2-CE1 4.46Å; F960-F1148 HydrophobicContact CE2-CZ 4.03Å; F960-F1148 HydrophobicContact CG-CE1 4.46Å; F960-F1148 HydrophobicContact CG-CE2 4.47Å; F960-F1148 AromaticContact CG-CZ 3.62Å; F960-F1148 HydrophobicContact CG-CZ 3.62Å; F960-F1148 AromaticContact CZ-CZ 3.98Å; F960-F1148 HydrophobicContact CZ-CZ 3.98Å; F960-K1152 HydrophobicContact CE1-CD 4.24Å; F960-K1152 HydrophobicContact CZ-CD 4.05Å; F960-K1152 HydrophobicContact CZ-CG 4.29Å |
| 961 | V | 85.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -40 | -176.2 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | I957 R958 E1080 K1105 | I957-V961 WeakPolarHBondContact O-CG2 3.28Å; I957-V961 PolarHBondContact O-N 3.19Å; R958-V961 PolarHBondContact O-N 3.2Å; V961-E1080 HydrophobicContact CG1-CB 4.29Å; V961-E1080 HydrophobicContact CG1-CG 4.33Å; V961-E1080 HydrophobicContact CG2-CG 4.08Å; V961-K1105 PolarHBondContact O-NZ 3.09Å |
| 962 | L | 83.6 | Confident | 78.6 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 178.7 | -68.7 | 176 | 0 | 0 | 0 | 113.1 | R958 F960 | R958-L962 HydrophobicContact CG-CD1 4.01Å; R958-L962 HydrophobicContact CG-CG 4.5Å; R958-L962 WeakPolarHBondContact O-CG 3.23Å; R958-L962 PolarHBondContact O-N 2.87Å; F960-L962 VanDerWaalsContact C-N 3.28Å; F960-L962 PolarHBondContact O-N 3.21Å |
| 963 | S | 83.4 | Confident | 78.2 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.5 | -30.2 | 178.8 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | K959 F960 H965 | K959-S963 WeakPolarHBondContact O-CB 3.44Å; K959-S963 PolarHBondContact O-N 3.15Å; K959-S963 PolarHBondContact O-OG 3.25Å; F960-S963 PolarHBondContact O-N 2.61Å; F960-S963 VanDerWaalsContact O-N 3.09Å; F960-S963 PolarHBondContact O-OG 3.05Å; S963-H965 PolarHBondContact O-CD2 2.89Å; S963-H965 PolarHBondContact O-N 3.07Å |
| 964 | Q | 83.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | trans | -79.9 | 125.7 | -176.6 | -60.8 | -41.7 | -77.2 | 0 | 0 | 111.6 | F960 Q967 K1105 M1125 D1126 | F960-Q964 HydrophobicContact CD1-CG 3.94Å; F960-Q964 HydrophobicContact CD2-CG 4.4Å; F960-Q964 HydrophobicContact CE1-CG 3.71Å; F960-Q964 HydrophobicContact CE2-CG 4.19Å; F960-Q964 HydrophobicContact CG-CG 4.28Å; F960-Q964 HydrophobicContact CZ-CG 3.84Å; F960-Q964 VanDerWaalsContact O-CG 3.31Å; F960-Q964 WeakPolarHBondContact O-CG 3.35Å; F960-Q964 PolarHBondContact O-N 2.89Å; Q964-Q967 HydrophobicContact CB-CG 3.86Å; Q964-Q967 HydrophobicContact CG-CG 4.23Å; Q964-K1105 PolarHBondContact O-NZ 3.45Å; Q964-M1125 VanDerWaalsContact OE1-CA 3.3Å; Q964-D1126 PolarHBondContact NE2-OD1 2.93Å; Q964-D1126 PolarHBondContact NE2-OD2 3.4Å; Q964-D1126 VanDerWaalsContact NE2-OD2 3.1Å | ||
| 965 | H | 75.1 | Confident | 78.3 | Confident | 139 Ų | 139 | 48.9 Ų | 48.9 | 64% | 0.644 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -121.9 | -17.9 | 177.9 | -63.4 | -76.4 | 0 | 0 | 0 | 113.9 | S963 | S963-H965 PolarHBondContact O-CD2 2.89Å; S963-H965 PolarHBondContact O-N 3.07Å |
| 966 | A | 73.3 | Confident | 78.4 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 40% | 0.397 | 25% | 0.245 | S | C | . | . | trans | -146.7 | 72.9 | -170 | 0 | 0 | 0 | 0 | 0 | 111.9 | G970 | A966-G970 VanDerWaalsContact CB-C 3.49Š| ||
| 967 | Q | 78.1 | Confident | 78.3 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | trans | -91.5 | -22.8 | -170.6 | -78 | 169.5 | -56.3 | 0 | 0 | 115.1 | Q964 E1080 V1101 V1123 H1124 | Q964-Q967 HydrophobicContact CB-CG 3.86Å; Q964-Q967 HydrophobicContact CG-CG 4.23Å; Q967-E1080 PolarHBondContact NE2-OE1 3.2Å; Q967-E1080 PolarHBondContact NE2-OE2 3.28Å; Q967-E1080 PolarHBondContact OE1-OE2 3.43Å; Q967-V1101 HydrophobicContact CB-CB 4.36Å; Q967-V1101 HydrophobicContact CB-CG2 4.41Å; Q967-V1101 VanDerWaalsContact OE1-CG1 3.28Å; Q967-V1123 HydrophobicContact CB-CG1 3.96Å; Q967-V1123 HydrophobicContact CG-CG1 4.24Å; Q967-V1123 CarbonylContact O-C 3.32Å; Q967-H1124 VanDerWaalsContact CA-O 3.29Å; Q967-H1124 WeakPolarHBondContact CA-O 3.32Å; Q967-H1124 WeakPolarHBondContact CG-O 3.28Å; Q967-H1124 PolarHBondContact O-N 3.37Å | ||
| 968 | V | 74.3 | Confident | 77.7 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -138 | 136.4 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | G970 G971 V1101 | V968-G970 PolarHBondContact O-N 3.36Å; V968-G971 PolarHBondContact O-N 3.2Å; V968-V1101 HydrophobicContact CG2-CG2 4.17Å |
| 969 | H | 73.5 | Confident | 77 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | 51.2 | 30.6 | -177.2 | -61.8 | -54.9 | 0 | 0 | 0 | 114.6 | G971 K972 V990 D991 L1119 | H969-G971 VanDerWaalsContact C-N 3.25Å; H969-G971 PolarHBondContact O-N 3.18Å; H969-K972 WeakPolarHBondContact CB-O 3.42Å; H969-K972 WeakPolarHBondContact O-CB 3.32Å; H969-K972 PolarHBondContact O-N 3.35Å; H969-K972 VanDerWaalsContact O-N 3.17Å; H969-V990 HydrophobicContact CB-CG1 3.98Å; H969-D991 PolarHBondContact CE1-O 2.93Å; H969-L1119 PolarHBondContact NE2-O 3.22Å |
| 970 | G | 62.4 | Low | 76.3 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | 64.5 | 26.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A966 V968 K972 | A966-G970 VanDerWaalsContact CB-C 3.49Å; V968-G970 PolarHBondContact O-N 3.36Å; G970-K972 PolarHBondContact O-N 2.8Å |
| 971 | G | 64.3 | Low | 75.5 | Confident | 44 Ų | 44 | 58 Ų | 58 | 45% | 0.454 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | 75.9 | 3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V968 H969 | V968-G971 PolarHBondContact O-N 3.2Å; H969-G971 VanDerWaalsContact C-N 3.25Å; H969-G971 PolarHBondContact O-N 3.18Å |
| 972 | K | 63.8 | Low | 74.6 | Confident | 154 Ų | 154 | 61.9 Ų | 61.9 | 67% | 0.67 | 35% | 0.349 | S | S | * | . | trans | -93.5 | 143.6 | -178 | -63 | -178.8 | 178.7 | 180 | 0 | 111.1 | H969 G970 V990 | H969-K972 WeakPolarHBondContact CB-O 3.42Å; H969-K972 WeakPolarHBondContact O-CB 3.32Å; H969-K972 PolarHBondContact O-N 3.35Å; H969-K972 VanDerWaalsContact O-N 3.17Å; G970-K972 PolarHBondContact O-N 2.8Å; K972-V990 HydrophobicContact CB-CG2 4.49Å | ||
| 973 | G | 69.8 | Low | 73.9 | Confident | 14 Ų | 14 | 63 Ų | 63 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | trans | 100.6 | -5.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | R975 P1118 | G973-R975 PolarHBondContact O-N 3.47Å; G973-P1118 VanDerWaalsContact O-CD 3.24Å; G973-P1118 WeakPolarHBondContact O-CD 3.25Å; G973-P1118 WeakPolarHBondContact O-CG 3.39Å | ||
| 974 | I | 81.2 | Confident | 73.4 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | trans | -68.6 | 125.8 | 165.8 | -62 | 176.4 | 0 | 0 | 0 | 108.3 | Y976 V1101 L1102 W1116 L1117 | I974-Y976 HydrophobicContact CG2-CD1 4.48Å; I974-Y976 HydrophobicContact CG2-CE1 3.81Å; I974-Y976 HydrophobicContact CG2-CE2 4.22Å; I974-V1101 WeakPolarHBondContact CD1-O 3.31Å; I974-L1102 HydrophobicContact CD1-CD1 4.4Å; I974-L1102 HydrophobicContact CG2-CD1 4.38Å; I974-W1116 WeakPolarHBondContact CA-O 3.39Å; I974-L1117 HydrophobicContact CB-CD2 4.43Å; I974-L1117 HydrophobicContact CD1-CD2 3.89Å; I974-L1117 HydrophobicContact CG1-CD2 3.89Å; I974-L1117 HydrophobicContact CG2-CD2 3.78Å | ||
| 975 | R | 84.6 | Confident | 72.9 | Confident | 44 Ų | 44 | 72 Ų | 72 | 17% | 0.166 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.6 | -178.6 | -57.5 | 172.1 | -66.6 | -119.9 | 15.1 | 110 | G973 P984 E985 A987 E995 W1116 | G973-R975 PolarHBondContact O-N 3.47Å; R975-P984 HydrophobicContact CB-CB 3.93Å; R975-P984 HydrophobicContact CB-CG 3.66Å; R975-P984 HydrophobicContact CG-CB 4.39Å; R975-P984 HydrophobicContact CG-CG 4.28Å; R975-E985 WeakPolarHBondContact CD-O 3.41Å; R975-A987 VanDerWaalsContact NH1-N 3.14Å; R975-E995 IonicContact CZ-OE1 3.88Å; R975-E995 IonicContact NE-OE1 3.23Å; R975-E995 VanDerWaalsContact NH2-CD 3.27Å; R975-E995 IonicContact NH2-OE1 2.64Å; R975-E995 PolarHBondContact NH2-OE1 2.69Å; R975-E995 IonicContact NH2-OE2 3.44Å; R975-E995 PolarHBondContact NH2-OE2 3Å; R975-W1116 HydrophobicContact CB-CB 4.14Å; R975-W1116 PolarHBondContact N-O 3.02Å; R975-W1116 PolarHBondContact O-N 3.34Å |
| 976 | Y | 84.8 | Confident | 72.4 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 29% | 0.29 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126 | -177.7 | -57.7 | -69.5 | 0 | 0 | 0 | 109.4 | I974 L1102 I1107 V1113 T1114 | I974-Y976 HydrophobicContact CG2-CD1 4.48Å; I974-Y976 HydrophobicContact CG2-CE1 3.81Å; I974-Y976 HydrophobicContact CG2-CE2 4.22Å; Y976-L1102 HydrophobicContact CE1-CD1 4.08Å; Y976-I1107 HydrophobicContact CD1-CG2 4.13Å; Y976-I1107 HydrophobicContact CE1-CG2 3.46Å; Y976-I1107 VanDerWaalsContact CE1-CG2 3.46Å; Y976-V1113 HydrophobicContact CD1-CG1 3.55Å; Y976-V1113 HydrophobicContact CG-CG1 4.06Å; Y976-T1114 WeakPolarHBondContact CA-O 3.32Å |
| 977 | T | 81.2 | Confident | 71.9 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.6 | 175.9 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | N979 T982 P984 T1114 W1116 | T977-N979 VanDerWaalsContact C-N 3.34Å; T977-N979 WeakPolarHBondContact CB-O 3.34Å; T977-N979 PolarHBondContact OG1-O 3.46Å; T977-T982 WeakPolarHBondContact CG2-O 3.42Å; T977-P984 HydrophobicContact CG2-CB 3.87Å; T977-P984 HydrophobicContact CG2-CG 3.93Å; T977-T1114 PolarHBondContact N-O 3.32Å; T977-T1114 PolarHBondContact O-N 2.71Å; T977-T1114 VanDerWaalsContact O-N 3.12Å; T977-W1116 PolarHBondContact OG1-NE1 3.39Å |
| 978 | T | 71.8 | Confident | 71 | Confident | 137 Ų | 137 | 78.8 Ų | 78.8 | 84% | 0.84 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -75.3 | -24.3 | 178.1 | 48.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 979 | N | 71.3 | Confident | 70.5 | Confident | 62 Ų | 62 | 82 Ų | 82 | 33% | 0.332 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -147.6 | 171.2 | 176.7 | 64.6 | 15.6 | 0 | 0 | 0 | 111.9 | T977 D981 T982 | T977-N979 VanDerWaalsContact C-N 3.34Å; T977-N979 WeakPolarHBondContact CB-O 3.34Å; T977-N979 PolarHBondContact OG1-O 3.46Å; N979-D981 VanDerWaalsContact C-N 3.34Å; N979-D981 PolarHBondContact OD1-N 3.48Å; N979-T982 WeakPolarHBondContact OD1-CB 3.42Å; N979-T982 PolarHBondContact OD1-N 2.56Å; N979-T982 PolarHBondContact OD1-OG1 2.81Å |
| 980 | E | 69 | Low | 70.6 | Confident | 69 Ų | 69 | 81.3 Ų | 81.3 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -75.1 | -21.8 | 179.5 | -63.7 | 173.6 | -164.2 | 0 | 0 | 112.6 | K1015 V1017 T1114 | E980-K1015 IonicContact OE1-NZ 3.52Å; E980-K1015 PolarHBondContact OE1-NZ 3.43Å; E980-K1015 IonicContact OE2-NZ 3.76Å; E980-V1017 HydrophobicContact CG-CG1 4.34Å; E980-V1017 HydrophobicContact CG-CG2 4.23Å; E980-V1017 WeakPolarHBondContact OE1-CG2 3.43Å; E980-V1017 WeakPolarHBondContact OE2-CG1 3.4Å; E980-T1114 HydrophobicContact CG-CG2 4.17Å |
| 981 | D | 70.6 | Confident | 71.4 | Confident | 142 Ų | 142 | 83.5 Ų | 83.5 | 76% | 0.759 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -84.2 | -12.4 | -171 | -60.5 | -46.3 | 0 | 0 | 0 | 114.5 | N979 P983 | N979-D981 VanDerWaalsContact C-N 3.34Å; N979-D981 PolarHBondContact OD1-N 3.48Å; D981-P983 WeakPolarHBondContact O-CD 3.22Å |
| 982 | T | 67.3 | Low | 72.4 | Confident | 81 Ų | 81 | 82.3 Ų | 82.3 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -106.2 | 92.5 | 179.6 | -40 | 0 | 0 | 0 | 0 | 109.6 | T977 N979 | T977-T982 WeakPolarHBondContact CG2-O 3.42Å; N979-T982 WeakPolarHBondContact OD1-CB 3.42Å; N979-T982 PolarHBondContact OD1-N 2.56Å; N979-T982 PolarHBondContact OD1-OG1 2.81Å |
| 983 | P | 67.6 | Low | 73.4 | Confident | 98 Ų | 98 | 75 Ų | 75 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 127.8 | 179.9 | 25.7 | -32.1 | 0 | 0 | 0 | 110.2 | D981 W1116 | D981-P983 WeakPolarHBondContact O-CD 3.22Å; P983-W1116 HydrophobicContact CB-CH2 4.49Å |
| 984 | P | 74.5 | Confident | 74.3 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 21% | 0.208 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 153.2 | -179.9 | 33.2 | -35.7 | 0 | 0 | 0 | 111.2 | R975 T977 K986 W1116 | R975-P984 HydrophobicContact CB-CB 3.93Å; R975-P984 HydrophobicContact CB-CG 3.66Å; R975-P984 HydrophobicContact CG-CB 4.39Å; R975-P984 HydrophobicContact CG-CG 4.28Å; T977-P984 HydrophobicContact CG2-CB 3.87Å; T977-P984 HydrophobicContact CG2-CG 3.93Å; P984-K986 PolarHBondContact O-N 3.4Å; P984-W1116 HydrophobicContact CG-CB 4.38Å; P984-W1116 HydrophobicContact CG-CD2 4.03Å; P984-W1116 HydrophobicContact CG-CG 3.82Å |
| 985 | E | 72.6 | Confident | 74.7 | Confident | 185 Ų | 185 | 73.8 Ų | 73.8 | 86% | 0.864 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 138.2 | 178.7 | -73.6 | -173.5 | 164.4 | 0 | 0 | 112.1 | R975 A987 | R975-E985 WeakPolarHBondContact CD-O 3.41Å; E985-A987 PolarHBondContact O-N 3.24Å |
| 986 | K | 65 | Low | 75.1 | Confident | 170 Ų | 170 | 71.7 Ų | 71.7 | 74% | 0.739 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 121.8 | -179.3 | -74.4 | -172.4 | 178 | -174.7 | 0 | 110.1 | P984 S988 | P984-K986 PolarHBondContact O-N 3.4Å; K986-S988 PolarHBondContact O-N 3.05Å |
| 987 | A | 62.3 | Low | 75.4 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 33% | 0.331 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -64 | 121.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R975 E985 V990 | R975-A987 VanDerWaalsContact NH1-N 3.14Å; E985-A987 PolarHBondContact O-N 3.24Å; A987-V990 HydrophobicContact CB-CG2 4.18Å |
| 988 | S | 59.9 | Low | 75.9 | Confident | 127 Ų | 127 | 67.4 Ų | 67.4 | 89% | 0.888 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 134.4 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | K986 | K986-S988 PolarHBondContact O-N 3.05Š|
| 989 | G | 63.7 | Low | 76.7 | Confident | 82 Ų | 82 | 61.6 Ų | 61.6 | 85% | 0.845 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 11.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 990 | V | 75.9 | Confident | 77.6 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 21% | 0.212 | 35% | 0.351 | C | S | . | . | trans | -106.8 | 105.9 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | H969 K972 A987 A992 P1118 | H969-V990 HydrophobicContact CB-CG1 3.98Å; K972-V990 HydrophobicContact CB-CG2 4.49Å; A987-V990 HydrophobicContact CB-CG2 4.18Å; V990-A992 VanDerWaalsContact C-N 3.26Å; V990-A992 HydrophobicContact CG1-CB 4.25Å; V990-A992 PolarHBondContact O-N 3.39Å; V990-P1118 HydrophobicContact CG1-CB 4.1Å; V990-P1118 HydrophobicContact CG1-CG 4.37Å | ||
| 991 | D | 79.4 | Confident | 78.5 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | trans | -79.9 | 71.6 | 173.4 | -176.7 | 31.5 | 0 | 0 | 0 | 111.3 | H969 K1023 R1121 | H969-D991 PolarHBondContact CE1-O 2.93Å; D991-K1023 IonicContact OD1-NZ 3.7Å; D991-K1023 PolarHBondContact OD1-NZ 2.91Å; D991-R1121 IonicContact OD2-NH2 2.9Å | ||
| 992 | A | 83.3 | Confident | 79.2 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | trans | -74.3 | 145.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V990 G994 K1023 P1118 L1119 | V990-A992 VanDerWaalsContact C-N 3.26Å; V990-A992 HydrophobicContact CG1-CB 4.25Å; V990-A992 PolarHBondContact O-N 3.39Å; A992-G994 VanDerWaalsContact C-N 3.29Å; A992-K1023 VanDerWaalsContact O-CE 3.32Å; A992-K1023 WeakPolarHBondContact O-CE 3.38Å; A992-K1023 PolarHBondContact O-NZ 3.05Å; A992-P1118 HydrophobicContact CB-CB 3.76Å; A992-L1119 WeakPolarHBondContact CA-O 3.38Å | ||
| 993 | V | 86.6 | Confident | 79.9 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -92.3 | 13.2 | 174.2 | -63.7 | 0 | 0 | 0 | 0 | 113.8 | L1022 K1023 L1119 R1121 | V993-L1022 CarbonylContact O-C 3.45Å; V993-K1023 PolarHBondContact O-N 3.06Å; V993-L1119 HydrophobicContact CG2-CB 3.85Å; V993-L1119 WeakPolarHBondContact CG2-O 3.34Å; V993-L1119 PolarHBondContact N-O 2.94Å; V993-R1121 HydrophobicContact CG1-CG 3.72Å |
| 994 | G | 88.3 | Confident | 80.2 | Confident | 6 Ų | 6 | 51 Ų | 51 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | trans | 144.1 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A992 N1020 D1021 L1119 | A992-G994 VanDerWaalsContact C-N 3.29Å; G994-N1020 CarbonylContact C-O 3.6Å; G994-N1020 WeakPolarHBondContact CA-O 3.44Å; G994-D1021 WeakPolarHBondContact CA-O 3Å; G994-L1119 WeakPolarHBondContact O-CB 3.42Å; G994-L1119 PolarHBondContact O-N 2.81Å | ||
| 995 | E | 89.4 | Confident | 80.3 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.7 | 179 | 176 | 165.8 | -115.7 | 0 | 0 | 110.6 | R975 A1019 N1020 W1116 L1117 | R975-E995 IonicContact CZ-OE1 3.88Å; R975-E995 IonicContact NE-OE1 3.23Å; R975-E995 VanDerWaalsContact NH2-CD 3.27Å; R975-E995 IonicContact NH2-OE1 2.64Å; R975-E995 PolarHBondContact NH2-OE1 2.69Å; R975-E995 IonicContact NH2-OE2 3.44Å; R975-E995 PolarHBondContact NH2-OE2 3Å; E995-A1019 CarbonylContact O-C 3.59Å; E995-A1019 VanDerWaalsContact O-CA 3.28Å; E995-A1019 WeakPolarHBondContact O-CA 3.47Å; E995-N1020 PolarHBondContact N-O 3.35Å; E995-N1020 PolarHBondContact O-N 3.45Å; E995-W1116 WeakPolarHBondContact OE1-CB 3.12Å; E995-L1117 CarbonylContact C-O 3.57Å; E995-L1117 WeakPolarHBondContact CA-O 3.08Å |
| 996 | V | 92.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.6 | 172.2 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | V1016 A1019 V1033 V1083 V1085 L1117 L1119 | V996-V1016 HydrophobicContact CG1-CG1 4.46Å; V996-A1019 HydrophobicContact CG2-CB 4.07Å; V996-V1033 HydrophobicContact CG1-CG1 4.48Å; V996-V1083 HydrophobicContact CB-CG1 4.4Å; V996-V1083 HydrophobicContact CG1-CG1 4.1Å; V996-V1083 HydrophobicContact CG2-CG1 4.32Å; V996-V1085 HydrophobicContact CG2-CG2 3.41Å; V996-V1085 VanDerWaalsContact CG2-CG2 3.41Å; V996-L1117 HydrophobicContact CB-CB 4.48Å; V996-L1117 PolarHBondContact N-O 3.08Å; V996-L1117 WeakPolarHBondContact O-CB 3.29Å; V996-L1117 PolarHBondContact O-N 2.96Å; V996-L1119 HydrophobicContact CG2-CD1 4.15Å; V996-L1119 HydrophobicContact CG2-CD2 3.85Å; V996-L1119 HydrophobicContact CG2-CG 4.26Å |
| 997 | V | 91.1 | Very high | 80.4 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.3 | 174.2 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | V1017 A1018 N1020 T1114 C1115 W1116 | V997-V1017 HydrophobicContact CB-CB 4.2Å; V997-V1017 HydrophobicContact CG1-CB 4.14Å; V997-V1017 HydrophobicContact CG1-CG1 4.49Å; V997-V1017 HydrophobicContact CG1-CG2 4.42Å; V997-V1017 WeakPolarHBondContact O-CB 3.25Å; V997-V1017 PolarHBondContact O-N 3.19Å; V997-A1018 PolarHBondContact N-O 3.02Å; V997-A1018 PolarHBondContact O-N 3.33Å; V997-N1020 WeakPolarHBondContact CG2-ND2 3.18Å; V997-T1114 HydrophobicContact CG1-CG2 3.86Å; V997-C1115 WeakPolarHBondContact CA-O 3.22Å; V997-W1116 HydrophobicContact CB-CE3 4.48Å; V997-W1116 HydrophobicContact CG1-CD2 4.19Å; V997-W1116 HydrophobicContact CG1-CE3 4.39Å; V997-W1116 HydrophobicContact CG1-CH2 4.39Å; V997-W1116 HydrophobicContact CG1-CZ2 4.2Å; V997-W1116 HydrophobicContact CG1-CZ3 4.49Å; V997-W1116 HydrophobicContact CG2-CD2 3.96Å; V997-W1116 HydrophobicContact CG2-CE3 3.37Å; V997-W1116 HydrophobicContact CG2-CH2 4.04Å; V997-W1116 HydrophobicContact CG2-CZ3 3.43Å; V997-W1116 VanDerWaalsContact CG2-CZ3 3.43Å |
| 998 | M | 91.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 125.8 | -172.3 | -173.9 | 173.6 | 82 | 0 | 0 | 110.8 | V1000 V1014 K1015 V1035 L1081 V1083 L1102 C1115 L1117 | M998-V1000 HydrophobicContact CE-CG2 3.46Å; M998-V1000 VanDerWaalsContact CE-CG2 3.46Å; M998-V1000 HydrophobicContact CG-CG2 4.14Å; M998-V1014 HydrophobicContact CE-CG1 4.06Å; M998-V1014 HydrophobicContact CG-CG1 3.46Å; M998-V1014 VanDerWaalsContact CG-CG1 3.46Å; M998-V1014 HydrophobicContact SD-CG1 3.23Å; M998-V1014 WeakPolarHBondContact SD-CG1 3.26Å; M998-K1015 CarbonylContact C-O 3.44Å; M998-K1015 VanDerWaalsContact CA-O 3.25Å; M998-K1015 WeakPolarHBondContact CA-O 3.32Å; M998-V1035 HydrophobicContact SD-CG2 4.22Å; M998-L1081 HydrophobicContact CE-CD1 4.2Å; M998-V1083 HydrophobicContact CE-CG2 4.03Å; M998-V1083 HydrophobicContact SD-CG2 3.92Å; M998-L1102 HydrophobicContact CE-CD2 3.87Å; M998-C1115 PolarHBondContact N-O 2.98Å; M998-C1115 WeakPolarHBondContact O-CB 3.38Å; M998-C1115 PolarHBondContact O-N 3.49Å; M998-L1117 HydrophobicContact CB-CD1 4.47Å; M998-L1117 HydrophobicContact CE-CD1 3.91Å |
| 999 | G | 89.3 | Confident | 81.2 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 133.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1014 K1015 V1113 | G999-V1014 CarbonylContact O-C 3.58Å; G999-V1014 WeakPolarHBondContact O-CA 3.39Å; G999-K1015 PolarHBondContact N-O 2.91Å; G999-K1015 PolarHBondContact O-N 3.47Å; G999-V1113 WeakPolarHBondContact CA-O 2.74Å |
| 1000 | V | 89.9 | Confident | 82 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.5 | 177.4 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | M998 I1012 S1013 V1014 L1081 L1102 I1107 S1112 V1113 | M998-V1000 HydrophobicContact CE-CG2 3.46Å; M998-V1000 VanDerWaalsContact CE-CG2 3.46Å; M998-V1000 HydrophobicContact CG-CG2 4.14Å; V1000-I1012 HydrophobicContact CG1-CG2 3.71Å; V1000-S1013 WeakPolarHBondContact CA-O 3.47Å; V1000-V1014 HydrophobicContact CG1-CG2 4.36Å; V1000-L1081 HydrophobicContact CG1-CD1 4.22Å; V1000-L1081 HydrophobicContact CG2-CD1 4.44Å; V1000-L1102 HydrophobicContact CG2-CD2 3.97Å; V1000-I1107 HydrophobicContact CB-CD1 3.91Å; V1000-I1107 HydrophobicContact CG1-CD1 3.5Å; V1000-I1107 VanDerWaalsContact CG1-CD1 3.5Å; V1000-S1112 WeakPolarHBondContact O-CA 3.09Å; V1000-V1113 PolarHBondContact N-O 3.48Å; V1000-V1113 PolarHBondContact O-N 3.21Å |
| 1001 | D | 87.6 | Confident | 82.4 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.1 | 178.8 | -177.1 | 21.1 | 0 | 0 | 0 | 110.1 | L1003 I1012 S1013 G1111 | D1001-L1003 WeakPolarHBondContact OD2-CD2 3.48Å; D1001-I1012 WeakPolarHBondContact O-CA 3.36Å; D1001-S1013 PolarHBondContact N-O 3.44Å; D1001-S1013 PolarHBondContact O-N 2.87Å; D1001-G1111 WeakPolarHBondContact CA-O 3.34Å |
| 1002 | I | 86 | Confident | 82.9 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 104.6 | -177.6 | -58.3 | 169.7 | 0 | 0 | 0 | 108.4 | P1004 I1012 V1104 I1107 G1111 | I1002-P1004 WeakPolarHBondContact O-CD 3.27Å; I1002-I1012 HydrophobicContact CG1-CG1 4.41Å; I1002-V1104 HydrophobicContact CD1-CG1 3.77Å; I1002-I1107 HydrophobicContact CD1-CD1 4.08Å; I1002-I1107 HydrophobicContact CD1-CG1 4.03Å; I1002-G1111 PolarHBondContact N-O 2.95Å; I1002-G1111 VanDerWaalsContact N-O 3.08Å |
| 1003 | L | 81 | Confident | 83.1 | Confident | 69 Ų | 69 | 38.6 Ų | 38.6 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 111.7 | -175.8 | -64.8 | 168.6 | 0 | 0 | 0 | 109.9 | D1001 Q1005 K1011 | D1001-L1003 WeakPolarHBondContact OD2-CD2 3.48Å; L1003-Q1005 PolarHBondContact O-N 3.39Å; L1003-K1011 PolarHBondContact N-O 2.93Å; L1003-K1011 PolarHBondContact O-N 3.05Å |
| 1004 | P | 75.3 | Confident | 83.4 | Confident | 94 Ų | 94 | 38.5 Ų | 38.5 | 61% | 0.61 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 132.6 | 169.1 | 27.8 | -31.5 | 0 | 0 | 0 | 109.5 | I1002 | I1002-P1004 WeakPolarHBondContact O-CD 3.27Å |
| 1005 | Q | 76.7 | Confident | 83.6 | Confident | 58 Ų | 58 | 41.6 Ų | 41.6 | 27% | 0.271 | 24% | 0.24 | S | C | . | . | trans | -96.5 | 152.5 | 174.5 | -59.2 | -72.6 | -80.6 | 0 | 0 | 110.2 | L1003 N1007 G1008 E1009 K1011 | L1003-Q1005 PolarHBondContact O-N 3.39Å; Q1005-N1007 WeakPolarHBondContact CB-OD1 3.24Å; Q1005-N1007 PolarHBondContact O-N 2.94Å; Q1005-N1007 VanDerWaalsContact O-N 3.09Å; Q1005-G1008 PolarHBondContact O-N 3.1Å; Q1005-G1008 VanDerWaalsContact O-N 3.11Å; Q1005-E1009 WeakPolarHBondContact CA-O 3.2Å; Q1005-E1009 WeakPolarHBondContact CB-O 3.4Å; Q1005-E1009 WeakPolarHBondContact CG-O 3.45Å; Q1005-E1009 PolarHBondContact N-O 3.01Å; Q1005-K1011 HydrophobicContact CG-CD 3.95Å; Q1005-K1011 HydrophobicContact CG-CG 3.9Å | ||
| 1006 | P | 69 | Low | 83.7 | Confident | 139 Ų | 139 | 40.3 Ų | 40.3 | 90% | 0.903 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.3 | -179.6 | -22.5 | 32.4 | 0 | 0 | 0 | 114.9 | G1008 | P1006-G1008 VanDerWaalsContact C-N 3.29Š|
| 1007 | N | 68.9 | Low | 83.7 | Confident | 99 Ų | 99 | 40.9 Ų | 40.9 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 4.8 | 179.5 | 66.6 | -15 | 0 | 0 | 0 | 113.7 | Q1005 E1009 | Q1005-N1007 WeakPolarHBondContact CB-OD1 3.24Å; Q1005-N1007 PolarHBondContact O-N 2.94Å; Q1005-N1007 VanDerWaalsContact O-N 3.09Å; N1007-E1009 VanDerWaalsContact C-N 3.28Å; N1007-E1009 PolarHBondContact ND2-OE2 3.36Å; N1007-E1009 PolarHBondContact O-N 2.97Å; N1007-E1009 WeakPolarHBondContact OD1-CB 3.3Å; N1007-E1009 PolarHBondContact OD1-N 3.21Å; N1007-E1009 VanDerWaalsContact OD1-N 3.08Å |
| 1008 | G | 67.1 | Low | 83.7 | Confident | 49 Ų | 49 | 41 Ų | 41 | 51% | 0.505 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 81.8 | -1.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1005 P1006 | Q1005-G1008 PolarHBondContact O-N 3.1Å; Q1005-G1008 VanDerWaalsContact O-N 3.11Å; P1006-G1008 VanDerWaalsContact C-N 3.29Å |
| 1009 | E | 73.8 | Confident | 83.7 | Confident | 45 Ų | 45 | 41 Ų | 41 | 21% | 0.21 | 24% | 0.238 | C | C | . | . | trans | -79.6 | 146.6 | 169.1 | -69.5 | -174.3 | 131.6 | 0 | 0 | 110.9 | Q1005 N1007 K1045 T1072 | Q1005-E1009 WeakPolarHBondContact CA-O 3.2Å; Q1005-E1009 WeakPolarHBondContact CB-O 3.4Å; Q1005-E1009 WeakPolarHBondContact CG-O 3.45Å; Q1005-E1009 PolarHBondContact N-O 3.01Å; N1007-E1009 VanDerWaalsContact C-N 3.28Å; N1007-E1009 PolarHBondContact ND2-OE2 3.36Å; N1007-E1009 PolarHBondContact O-N 2.97Å; N1007-E1009 WeakPolarHBondContact OD1-CB 3.3Å; N1007-E1009 PolarHBondContact OD1-N 3.21Å; N1007-E1009 VanDerWaalsContact OD1-N 3.08Å; E1009-K1045 IonicContact OE1-NZ 2.68Å; E1009-K1045 PolarHBondContact OE1-NZ 2.83Å; E1009-K1045 VanDerWaalsContact OE1-NZ 3.07Å; E1009-T1072 HydrophobicContact CG-CG2 3.5Å; E1009-T1072 VanDerWaalsContact CG-CG2 3.5Å | ||
| 1010 | H | 79.6 | Confident | 83.7 | Confident | 51 Ų | 51 | 42 Ų | 42 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.7 | 168.4 | -67.4 | -86.1 | 0 | 0 | 0 | 109.6 | L1070 | H1010-L1070 HydrophobicContact CB-CB 4.31Å; H1010-L1070 HydrophobicContact CB-CD1 3.77Å; H1010-L1070 HydrophobicContact CB-CG 4.11Å; H1010-L1070 WeakPolarHBondContact O-CB 3.39Å; H1010-L1070 WeakPolarHBondContact O-CG 3.47Å; H1010-L1070 PolarHBondContact O-N 3.27Å |
| 1011 | K | 85.1 | Confident | 83.6 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 26% | 0.261 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130 | 169.2 | -73.6 | -178.6 | -176.7 | 160.3 | 0 | 109.8 | L1003 Q1005 Y1068 | L1003-K1011 PolarHBondContact N-O 2.93Å; L1003-K1011 PolarHBondContact O-N 3.05Å; Q1005-K1011 HydrophobicContact CG-CD 3.95Å; Q1005-K1011 HydrophobicContact CG-CG 3.9Å; K1011-Y1068 CarbonylContact C-O 3.54Å; K1011-Y1068 VanDerWaalsContact CA-O 3.27Å; K1011-Y1068 WeakPolarHBondContact CA-O 2.95Å |
| 1012 | I | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.1 | 173.6 | -53.6 | -174.6 | 0 | 0 | 0 | 108 | V1000 D1001 I1002 V1014 I1037 Q1067 Y1068 L1070 L1081 V1104 | V1000-I1012 HydrophobicContact CG1-CG2 3.71Å; D1001-I1012 WeakPolarHBondContact O-CA 3.36Å; I1002-I1012 HydrophobicContact CG1-CG1 4.41Å; I1012-V1014 HydrophobicContact CG2-CG2 3.89Å; I1012-I1037 HydrophobicContact CD1-CD1 3.96Å; I1012-Q1067 WeakPolarHBondContact O-CA 3.47Å; I1012-Y1068 PolarHBondContact N-O 2.92Å; I1012-Y1068 PolarHBondContact O-N 3.44Å; I1012-L1070 HydrophobicContact CD1-CD1 3.94Å; I1012-L1070 HydrophobicContact CD1-CD2 3.89Å; I1012-L1070 HydrophobicContact CD1-CG 4.31Å; I1012-L1070 HydrophobicContact CG1-CD1 4.1Å; I1012-L1070 HydrophobicContact CG1-CD2 4.13Å; I1012-L1070 HydrophobicContact CG1-CG 4.23Å; I1012-L1081 HydrophobicContact CG2-CD1 4.31Å; I1012-V1104 HydrophobicContact CD1-CG1 3.93Å; I1012-V1104 HydrophobicContact CD1-CG2 3.98Å |
| 1013 | S | 89 | Confident | 83.6 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 19% | 0.189 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 127.2 | 172.1 | -170 | 0 | 0 | 0 | 0 | 109.3 | V1000 D1001 Y1066 | V1000-S1013 WeakPolarHBondContact CA-O 3.47Å; D1001-S1013 PolarHBondContact N-O 3.44Å; D1001-S1013 PolarHBondContact O-N 2.87Å; S1013-Y1066 CarbonylContact C-O 3.59Å; S1013-Y1066 WeakPolarHBondContact CA-O 3.48Å |
| 1014 | V | 91.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 118.2 | -176.6 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | M998 G999 V1000 I1012 V1035 S1065 Y1066 Y1068 L1081 | M998-V1014 HydrophobicContact CE-CG1 4.06Å; M998-V1014 HydrophobicContact CG-CG1 3.46Å; M998-V1014 VanDerWaalsContact CG-CG1 3.46Å; M998-V1014 HydrophobicContact SD-CG1 3.23Å; M998-V1014 WeakPolarHBondContact SD-CG1 3.26Å; G999-V1014 CarbonylContact O-C 3.58Å; G999-V1014 WeakPolarHBondContact O-CA 3.39Å; V1000-V1014 HydrophobicContact CG1-CG2 4.36Å; I1012-V1014 HydrophobicContact CG2-CG2 3.89Å; V1014-V1035 HydrophobicContact CG1-CG1 4.39Å; V1014-S1065 CarbonylContact O-C 3.06Å; V1014-S1065 WeakPolarHBondContact O-CA 3.07Å; V1014-Y1066 PolarHBondContact N-O 3.35Å; V1014-Y1066 PolarHBondContact O-N 3.09Å; V1014-Y1068 HydrophobicContact CB-CE2 4.26Å; V1014-Y1068 HydrophobicContact CG2-CD2 4.04Å; V1014-Y1068 HydrophobicContact CG2-CE2 3.79Å; V1014-L1081 HydrophobicContact CG2-CD1 3.92Å |
| 1015 | K | 92.4 | Very high | 83.7 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.7 | 173.8 | -179 | -175.2 | 175.1 | -150.9 | 0 | 110 | E980 M998 G999 V1017 E1064 S1065 | E980-K1015 IonicContact OE1-NZ 3.52Å; E980-K1015 PolarHBondContact OE1-NZ 3.43Å; E980-K1015 IonicContact OE2-NZ 3.76Å; M998-K1015 CarbonylContact C-O 3.44Å; M998-K1015 VanDerWaalsContact CA-O 3.25Å; M998-K1015 WeakPolarHBondContact CA-O 3.32Å; G999-K1015 PolarHBondContact N-O 2.91Å; G999-K1015 PolarHBondContact O-N 3.47Å; K1015-V1017 HydrophobicContact CD-CG2 4.45Å; K1015-V1017 HydrophobicContact CG-CG2 4.34Å; K1015-V1017 PolarHBondContact O-N 3.43Å; K1015-E1064 CarbonylContact C-O 3.52Å; K1015-E1064 WeakPolarHBondContact CA-O 3.24Å; K1015-S1065 WeakPolarHBondContact CG-OG 3.36Å |
| 1016 | V | 91.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 108.4 | 173 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | V996 V1033 V1035 T1051 F1062 N1063 E1064 Y1066 | V996-V1016 HydrophobicContact CG1-CG1 4.46Å; V1016-V1033 HydrophobicContact CG1-CB 4.05Å; V1016-V1033 HydrophobicContact CG1-CG1 4.14Å; V1016-V1033 HydrophobicContact CG1-CG2 4.08Å; V1016-V1035 HydrophobicContact CG2-CG2 3.82Å; V1016-T1051 HydrophobicContact CB-CG2 3.92Å; V1016-T1051 HydrophobicContact CG1-CG2 3.99Å; V1016-T1051 HydrophobicContact CG2-CG2 4.21Å; V1016-F1062 HydrophobicContact CG1-CB 4.47Å; V1016-F1062 HydrophobicContact CG1-CD2 4.09Å; V1016-N1063 VanDerWaalsContact O-CA 3.32Å; V1016-N1063 WeakPolarHBondContact O-CA 3.36Å; V1016-N1063 PolarHBondContact O-N 2.61Å; V1016-E1064 PolarHBondContact N-O 3.44Å; V1016-E1064 PolarHBondContact O-N 3.44Å; V1016-Y1066 HydrophobicContact CG2-CD2 4.47Å; V1016-Y1066 HydrophobicContact CG2-CE2 4.13Å |
| 1017 | V | 91.8 | Very high | 83.7 | Confident | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -60.1 | -174.2 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | E980 V997 K1015 F1062 N1063 | E980-V1017 HydrophobicContact CG-CG1 4.34Å; E980-V1017 HydrophobicContact CG-CG2 4.23Å; E980-V1017 WeakPolarHBondContact OE1-CG2 3.43Å; E980-V1017 WeakPolarHBondContact OE2-CG1 3.4Å; V997-V1017 HydrophobicContact CB-CB 4.2Å; V997-V1017 HydrophobicContact CG1-CB 4.14Å; V997-V1017 HydrophobicContact CG1-CG1 4.49Å; V997-V1017 HydrophobicContact CG1-CG2 4.42Å; V997-V1017 WeakPolarHBondContact O-CB 3.25Å; V997-V1017 PolarHBondContact O-N 3.19Å; K1015-V1017 HydrophobicContact CD-CG2 4.45Å; K1015-V1017 HydrophobicContact CG-CG2 4.34Å; K1015-V1017 PolarHBondContact O-N 3.43Å; V1017-F1062 PolarHBondContact O-N 2.96Å; V1017-N1063 PolarHBondContact O-N 3.44Å |
| 1018 | A | 91.9 | Very high | 84.3 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 161.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V997 P1060 K1061 | V997-A1018 PolarHBondContact N-O 3.02Å; V997-A1018 PolarHBondContact O-N 3.33Å; A1018-P1060 CarbonylContact C-O 3.46Å; A1018-P1060 VanDerWaalsContact CA-O 3.26Å; A1018-P1060 WeakPolarHBondContact CA-O 3.19Å; A1018-P1060 WeakPolarHBondContact CB-O 3.43Å; A1018-K1061 HydrophobicContact CB-CG 4.09Å |
| 1019 | A | 91.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | E995 V996 L1022 S1059 P1060 F1062 | E995-A1019 CarbonylContact O-C 3.59Å; E995-A1019 VanDerWaalsContact O-CA 3.28Å; E995-A1019 WeakPolarHBondContact O-CA 3.47Å; V996-A1019 HydrophobicContact CG2-CB 4.07Å; A1019-L1022 HydrophobicContact CB-CD1 4.06Å; A1019-L1022 HydrophobicContact CB-CD2 4.13Å; A1019-L1022 HydrophobicContact CB-CG 4.26Å; A1019-S1059 CarbonylContact O-C 3.56Å; A1019-S1059 WeakPolarHBondContact O-CA 3.37Å; A1019-P1060 HydrophobicContact CB-CG 4.1Å; A1019-P1060 PolarHBondContact N-O 3.26Å; A1019-P1060 WeakPolarHBondContact O-CD 3.27Å; A1019-P1060 VanDerWaalsContact O-N 3.12Å; A1019-F1062 HydrophobicContact CB-CE2 4.2Å |
| 1020 | N | 89.8 | Confident | 86 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 20% | 0.198 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 146.2 | -172.7 | -62.1 | -37 | 0 | 0 | 0 | 110.7 | G994 E995 V997 L1022 | G994-N1020 CarbonylContact C-O 3.6Å; G994-N1020 WeakPolarHBondContact CA-O 3.44Å; E995-N1020 PolarHBondContact N-O 3.35Å; E995-N1020 PolarHBondContact O-N 3.45Å; V997-N1020 WeakPolarHBondContact CG2-ND2 3.18Å; N1020-L1022 VanDerWaalsContact C-N 3.28Å; N1020-L1022 PolarHBondContact O-N 2.97Å |
| 1021 | D | 86.6 | Confident | 86.5 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 54% | 0.54 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 52.2 | 40.5 | 169.8 | -62 | -20.7 | 0 | 0 | 0 | 113.8 | G994 K1023 W1058 S1059 | G994-D1021 WeakPolarHBondContact CA-O 3Å; D1021-K1023 PolarHBondContact O-N 3.36Å; D1021-W1058 PolarHBondContact N-O 3.19Å; D1021-S1059 PolarHBondContact N-OG 3.4Å |
| 1022 | L | 88.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | -64.7 | 107 | -177.9 | -64.9 | 178.6 | 0 | 0 | 0 | 110.9 | V993 A1019 N1020 W1024 F1029 P1031 W1058 P1060 V1085 L1119 | V993-L1022 CarbonylContact O-C 3.45Å; A1019-L1022 HydrophobicContact CB-CD1 4.06Å; A1019-L1022 HydrophobicContact CB-CD2 4.13Å; A1019-L1022 HydrophobicContact CB-CG 4.26Å; N1020-L1022 VanDerWaalsContact C-N 3.28Å; N1020-L1022 PolarHBondContact O-N 2.97Å; L1022-W1024 VanDerWaalsContact C-N 3.33Å; L1022-W1024 PolarHBondContact O-N 3.34Å; L1022-F1029 HydrophobicContact CB-CE1 4.38Å; L1022-F1029 HydrophobicContact CB-CZ 4.4Å; L1022-F1029 HydrophobicContact CD1-CE1 4.04Å; L1022-F1029 HydrophobicContact CD1-CZ 3.83Å; L1022-P1031 HydrophobicContact CD1-CB 3.92Å; L1022-P1031 HydrophobicContact CD1-CG 4.32Å; L1022-W1058 WeakPolarHBondContact CB-O 3.36Å; L1022-W1058 WeakPolarHBondContact CG-O 3.34Å; L1022-W1058 PolarHBondContact N-O 2.89Å; L1022-P1060 HydrophobicContact CD1-CG 4.37Å; L1022-V1085 HydrophobicContact CD1-CG1 3.95Å; L1022-V1085 HydrophobicContact CD2-CG1 4.09Å; L1022-L1119 HydrophobicContact CD2-CD1 3.56Å | ||
| 1023 | K | 86.1 | Confident | 87.1 | Confident | 117 Ų | 117 | 44.5 Ų | 44.5 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | trans | -76.4 | 79.4 | 178.1 | -60.4 | -179.3 | -174.1 | 160.9 | 0 | 110.4 | D991 A992 V993 D1021 R1156 | D991-K1023 IonicContact OD1-NZ 3.7Å; D991-K1023 PolarHBondContact OD1-NZ 2.91Å; A992-K1023 VanDerWaalsContact O-CE 3.32Å; A992-K1023 WeakPolarHBondContact O-CE 3.38Å; A992-K1023 PolarHBondContact O-NZ 3.05Å; V993-K1023 PolarHBondContact O-N 3.06Å; D1021-K1023 PolarHBondContact O-N 3.36Å; K1023-R1156 VanDerWaalsContact O-CZ 3.31Å; K1023-R1156 PolarHBondContact O-NH1 3.25Å; K1023-R1156 PolarHBondContact O-NH2 2.99Å | ||
| 1024 | W | 84.9 | Confident | 87.4 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | trans | -134.1 | 136 | 179.6 | -165.1 | -112.3 | 0 | 0 | 0 | 111.3 | L1022 F1029 W1058 D1087 R1095 V1097 R1156 | L1022-W1024 VanDerWaalsContact C-N 3.33Å; L1022-W1024 PolarHBondContact O-N 3.34Å; W1024-F1029 HydrophobicContact CB-CE2 4.23Å; W1024-F1029 HydrophobicContact CB-CZ 4.13Å; W1024-F1029 AromaticContact CD1-CD2 3.36Å; W1024-F1029 AromaticContact CD1-CE2 3.37Å; W1024-F1029 HydrophobicContact CG-CD2 4.32Å; W1024-F1029 AromaticContact CG-CE2 3.97Å; W1024-F1029 HydrophobicContact CG-CE2 3.97Å; W1024-F1029 HydrophobicContact CG-CZ 4.36Å; W1024-F1029 AromaticContact NE1-CD2 4Å; W1024-W1058 PolarHBondContact O-NE1 3Å; W1024-D1087 PolarHBondContact NE1-OD2 3.34Å; W1024-R1095 HydrophobicContact CH2-CB 4.49Å; W1024-R1095 HydrophobicContact CZ2-CB 4Å; W1024-V1097 HydrophobicContact CB-CG1 3.89Å; W1024-V1097 HydrophobicContact CD2-CB 4.33Å; W1024-V1097 HydrophobicContact CD2-CG1 4.09Å; W1024-V1097 HydrophobicContact CD2-CG2 3.87Å; W1024-V1097 HydrophobicContact CE3-CB 4.25Å; W1024-V1097 HydrophobicContact CE3-CG1 4Å; W1024-V1097 HydrophobicContact CE3-CG2 4.25Å; W1024-V1097 HydrophobicContact CG-CG1 4.07Å; W1024-V1097 HydrophobicContact CG-CG2 4.06Å; W1024-R1156 HydrophobicContact CZ3-CG 3.87Å | ||
| 1025 | K | 73.6 | Confident | 87.4 | Confident | 151 Ų | 151 | 43.6 Ų | 43.6 | 66% | 0.657 | 22% | 0.217 | S | C | * | . | trans | -115.9 | 100.4 | 177.1 | -69.1 | -173 | -177.6 | -174.8 | 0 | 108.7 | S1163 | K1025-S1163 PolarHBondContact NZ-O 3.39Š| ||
| 1026 | A | 72.3 | Confident | 87.4 | Confident | 25 Ų | 25 | 41 Ų | 41 | 21% | 0.207 | 21% | 0.205 | C | C | . | . | trans | -144.2 | 139.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1028 | A1026-G1028 PolarHBondContact O-N 3.2Š| ||
| 1027 | Q | 72.4 | Confident | 87.3 | Confident | 207 Ų | 207 | 41.3 Ų | 41.3 | 97% | 0.967 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 119.8 | 172.6 | -77.3 | -171.5 | -11.5 | 0 | 0 | 109.6 | ||
| 1028 | G | 80.6 | Confident | 87.2 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 36.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1026 R1030 | A1026-G1028 PolarHBondContact O-N 3.2Å; G1028-R1030 WeakPolarHBondContact O-CG 3.28Å; G1028-R1030 PolarHBondContact O-N 2.82Å |
| 1029 | F | 86.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -50.8 | 125.6 | 179.5 | -179.6 | -138 | 0 | 0 | 0 | 112.8 | L1022 W1024 P1031 N1056 S1057 W1058 D1087 V1097 | L1022-F1029 HydrophobicContact CB-CE1 4.38Å; L1022-F1029 HydrophobicContact CB-CZ 4.4Å; L1022-F1029 HydrophobicContact CD1-CE1 4.04Å; L1022-F1029 HydrophobicContact CD1-CZ 3.83Å; W1024-F1029 HydrophobicContact CB-CE2 4.23Å; W1024-F1029 HydrophobicContact CB-CZ 4.13Å; W1024-F1029 AromaticContact CD1-CD2 3.36Å; W1024-F1029 AromaticContact CD1-CE2 3.37Å; W1024-F1029 HydrophobicContact CG-CD2 4.32Å; W1024-F1029 AromaticContact CG-CE2 3.97Å; W1024-F1029 HydrophobicContact CG-CE2 3.97Å; W1024-F1029 HydrophobicContact CG-CZ 4.36Å; W1024-F1029 AromaticContact NE1-CD2 4Å; F1029-P1031 HydrophobicContact CD1-CG 4.13Å; F1029-P1031 HydrophobicContact CE1-CB 4.02Å; F1029-P1031 HydrophobicContact CE1-CG 3.62Å; F1029-P1031 HydrophobicContact CE2-CB 3.96Å; F1029-P1031 HydrophobicContact CE2-CG 4.24Å; F1029-P1031 HydrophobicContact CZ-CB 3.54Å; F1029-P1031 HydrophobicContact CZ-CG 3.69Å; F1029-N1056 VanDerWaalsContact O-CA 3.23Å; F1029-N1056 WeakPolarHBondContact O-CA 3.39Å; F1029-N1056 PolarHBondContact O-N 3.03Å; F1029-S1057 WeakPolarHBondContact CD1-O 3.3Å; F1029-S1057 WeakPolarHBondContact CE1-O 3.23Å; F1029-W1058 HydrophobicContact CB-CH2 3.99Å; F1029-W1058 HydrophobicContact CB-CZ2 3.97Å; F1029-W1058 AromaticContact CD1-CD2 3.86Å; F1029-W1058 HydrophobicContact CD1-CD2 3.86Å; F1029-W1058 AromaticContact CD1-CE2 3.73Å; F1029-W1058 HydrophobicContact CD1-CE3 4.25Å; F1029-W1058 HydrophobicContact CD1-CG 4.3Å; F1029-W1058 HydrophobicContact CD1-CH2 4.37Å; F1029-W1058 AromaticContact CD1-CZ2 4Å; F1029-W1058 HydrophobicContact CD1-CZ2 4Å; F1029-W1058 HydrophobicContact CD1-CZ3 4.49Å; F1029-W1058 HydrophobicContact CE1-CD2 4.35Å; F1029-W1058 HydrophobicContact CE1-CG 4.33Å; F1029-W1058 HydrophobicContact CG-CZ2 4.33Å; F1029-D1087 HydrophobicContact CD2-CB 4.02Å; F1029-D1087 VanDerWaalsContact CD2-CG 3.41Å; F1029-D1087 WeakPolarHBondContact CD2-OD1 3.38Å; F1029-D1087 HydrophobicContact CE2-CB 3.9Å; F1029-V1097 HydrophobicContact CE2-CG2 3.9Å; F1029-V1097 HydrophobicContact CZ-CG2 4.31Å | ||
| 1030 | R | 89.9 | Confident | 86.4 | Confident | 104 Ų | 104 | 41.1 Ų | 41.1 | 39% | 0.392 | 21% | 0.205 | S | C | . | . | trans | -128.3 | 76.1 | 179.7 | -68.7 | -176.3 | -173.8 | -166 | 0.1 | 111.6 | G1028 K1054 N1055 D1087 Y1088 | G1028-R1030 WeakPolarHBondContact O-CG 3.28Å; G1028-R1030 PolarHBondContact O-N 2.82Å; R1030-K1054 VanDerWaalsContact CA-O 3.3Å; R1030-K1054 WeakPolarHBondContact CA-O 3.45Å; R1030-N1055 VanDerWaalsContact CD-OD1 3.25Å; R1030-N1055 WeakPolarHBondContact CD-OD1 3.38Å; R1030-N1055 VanDerWaalsContact CG-OD1 3.32Å; R1030-N1055 WeakPolarHBondContact CG-OD1 3.44Å; R1030-N1055 PolarHBondContact NE-OD1 2.83Å; R1030-N1055 VanDerWaalsContact NE-OD1 3.16Å; R1030-D1087 PolarHBondContact N-OD1 3.16Å; R1030-Y1088 PolarHBondContact O-N 3.07Å | ||
| 1031 | P | 91.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 141 | -178.8 | 25 | -34.9 | 0 | 0 | 0 | 113.4 | L1022 F1029 S1053 K1054 S1057 P1060 V1085 K1086 | L1022-P1031 HydrophobicContact CD1-CB 3.92Å; L1022-P1031 HydrophobicContact CD1-CG 4.32Å; F1029-P1031 HydrophobicContact CD1-CG 4.13Å; F1029-P1031 HydrophobicContact CE1-CB 4.02Å; F1029-P1031 HydrophobicContact CE1-CG 3.62Å; F1029-P1031 HydrophobicContact CE2-CB 3.96Å; F1029-P1031 HydrophobicContact CE2-CG 4.24Å; F1029-P1031 HydrophobicContact CZ-CB 3.54Å; F1029-P1031 HydrophobicContact CZ-CG 3.69Å; P1031-S1053 WeakPolarHBondContact O-CA 3.49Å; P1031-K1054 VanDerWaalsContact CD-O 3.23Å; P1031-K1054 WeakPolarHBondContact CD-O 3.27Å; P1031-K1054 PolarHBondContact O-N 2.8Å; P1031-S1057 WeakPolarHBondContact CG-O 3.3Å; P1031-P1060 HydrophobicContact CB-CG 4.24Å; P1031-P1060 HydrophobicContact CG-CB 4.39Å; P1031-P1060 HydrophobicContact CG-CG 3.79Å; P1031-V1085 HydrophobicContact CB-CG1 4.43Å; P1031-K1086 CarbonylContact C-O 3.37Å; P1031-K1086 VanDerWaalsContact CA-O 3.28Å; P1031-K1086 WeakPolarHBondContact CA-O 3.43Å |
| 1032 | F | 93.2 | Very high | 85.6 | Confident | 13 Ų | 13 | 37.4 Ų | 37.4 | 6% | 0.057 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 162.8 | 162.9 | 68.5 | -77.7 | 0 | 0 | 0 | 109.8 | E1034 A1050 V1085 K1086 D1094 | F1032-E1034 HydrophobicContact CD2-CG 3.97Å; F1032-E1034 HydrophobicContact CE2-CG 3.47Å; F1032-E1034 VanDerWaalsContact CE2-CG 3.47Å; F1032-E1034 HydrophobicContact CZ-CG 4.44Å; F1032-A1050 HydrophobicContact CD2-CB 4.2Å; F1032-A1050 HydrophobicContact CE2-CB 4.39Å; F1032-V1085 WeakPolarHBondContact O-CA 3.49Å; F1032-K1086 HydrophobicContact CD1-CB 4.25Å; F1032-K1086 WeakPolarHBondContact CD1-O 3.47Å; F1032-K1086 HydrophobicContact CE1-CB 3.63Å; F1032-K1086 HydrophobicContact CE2-CB 4.29Å; F1032-K1086 HydrophobicContact CZ-CB 3.66Å; F1032-K1086 HydrophobicContact CZ-CD 4.33Å; F1032-K1086 PolarHBondContact N-O 3.28Å; F1032-K1086 PolarHBondContact O-N 3.5Å; F1032-D1094 HydrophobicContact CE1-CB 4.16Å; F1032-D1094 HydrophobicContact CZ-CB 4.05Å; F1032-D1094 WeakPolarHBondContact CZ-OD2 3.43Å |
| 1033 | V | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.5 | -177.8 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | V996 V1016 V1035 A1050 T1051 F1062 V1083 V1085 | V996-V1033 HydrophobicContact CG1-CG1 4.48Å; V1016-V1033 HydrophobicContact CG1-CB 4.05Å; V1016-V1033 HydrophobicContact CG1-CG1 4.14Å; V1016-V1033 HydrophobicContact CG1-CG2 4.08Å; V1033-V1035 HydrophobicContact CG1-CG2 4.27Å; V1033-A1050 WeakPolarHBondContact O-CA 3.5Å; V1033-T1051 HydrophobicContact CB-CG2 4.23Å; V1033-T1051 PolarHBondContact N-OG1 2.97Å; V1033-T1051 PolarHBondContact O-N 3.21Å; V1033-F1062 HydrophobicContact CG2-CD2 4.18Å; V1033-F1062 HydrophobicContact CG2-CE2 3.6Å; V1033-F1062 HydrophobicContact CG2-CZ 3.99Å; V1033-V1083 HydrophobicContact CG1-CG1 3.48Å; V1033-V1083 VanDerWaalsContact CG1-CG1 3.48Å; V1033-V1085 HydrophobicContact CG2-CG2 4.18Å |
| 1034 | E | 93.8 | Very high | 84.7 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.7 | 167.8 | -56.5 | -170.6 | 138.1 | 0 | 0 | 109.4 | F1032 Y1036 K1048 F1049 A1050 V1083 C1084 K1086 | F1032-E1034 HydrophobicContact CD2-CG 3.97Å; F1032-E1034 HydrophobicContact CE2-CG 3.47Å; F1032-E1034 VanDerWaalsContact CE2-CG 3.47Å; F1032-E1034 HydrophobicContact CZ-CG 4.44Å; E1034-Y1036 HydrophobicContact CB-CD2 4.27Å; E1034-Y1036 HydrophobicContact CB-CE2 3.56Å; E1034-Y1036 HydrophobicContact CG-CE2 4.48Å; E1034-Y1036 WeakPolarHBondContact OE2-CE2 3.36Å; E1034-Y1036 PolarHBondContact OE2-OH 2.96Å; E1034-K1048 VanDerWaalsContact CD-CE 3.41Å; E1034-K1048 WeakPolarHBondContact OE1-CE 3.42Å; E1034-K1048 IonicContact OE1-NZ 3.96Å; E1034-K1048 PolarHBondContact OE1-NZ 3.08Å; E1034-K1048 IonicContact OE2-NZ 3.02Å; E1034-F1049 CarbonylContact C-O 3.46Å; E1034-F1049 WeakPolarHBondContact CA-O 3.24Å; E1034-A1050 HydrophobicContact CG-CB 4.12Å; E1034-V1083 CarbonylContact O-C 3.5Å; E1034-V1083 WeakPolarHBondContact O-CA 3.31Å; E1034-C1084 HydrophobicContact CB-CB 4.42Å; E1034-C1084 PolarHBondContact N-O 3.06Å; E1034-C1084 PolarHBondContact O-N 2.93Å; E1034-K1086 WeakPolarHBondContact OE2-CE 3.45Å; E1034-K1086 IonicContact OE2-NZ 3.16Å; E1034-K1086 PolarHBondContact OE2-NZ 2.89Å |
| 1035 | V | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.3 | 171.8 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | M998 V1014 V1016 V1033 K1048 F1049 Y1068 L1081 V1083 | M998-V1035 HydrophobicContact SD-CG2 4.22Å; V1014-V1035 HydrophobicContact CG1-CG1 4.39Å; V1016-V1035 HydrophobicContact CG2-CG2 3.82Å; V1033-V1035 HydrophobicContact CG1-CG2 4.27Å; V1035-K1048 WeakPolarHBondContact O-CA 3.2Å; V1035-F1049 PolarHBondContact N-O 3.19Å; V1035-F1049 PolarHBondContact O-N 2.88Å; V1035-Y1068 WeakPolarHBondContact CB-OH 3.35Å; V1035-Y1068 HydrophobicContact CG1-CE2 4.3Å; V1035-Y1068 WeakPolarHBondContact CG1-OH 3.48Å; V1035-Y1068 PolarHBondContact O-OH 2.97Å; V1035-L1081 HydrophobicContact CG1-CD2 4.19Å; V1035-V1083 HydrophobicContact CG1-CG2 4.33Å; V1035-V1083 HydrophobicContact CG2-CG1 4.43Å; V1035-V1083 HydrophobicContact CG2-CG2 4.3Å |
| 1036 | Y | 91.8 | Very high | 85 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.7 | 178.3 | -65.8 | -98.7 | 0 | 0 | 0 | 109.5 | E1034 R1047 K1048 L1081 Q1082 L1151 | E1034-Y1036 HydrophobicContact CB-CD2 4.27Å; E1034-Y1036 HydrophobicContact CB-CE2 3.56Å; E1034-Y1036 HydrophobicContact CG-CE2 4.48Å; E1034-Y1036 WeakPolarHBondContact OE2-CE2 3.36Å; E1034-Y1036 PolarHBondContact OE2-OH 2.96Å; Y1036-R1047 CarbonylContact C-O 3.52Å; Y1036-R1047 VanDerWaalsContact CA-O 3.32Å; Y1036-R1047 WeakPolarHBondContact CA-O 3.35Å; Y1036-K1048 HydrophobicContact CD1-CB 3.93Å; Y1036-K1048 HydrophobicContact CD1-CD 4.41Å; Y1036-K1048 HydrophobicContact CD1-CG 4.02Å; Y1036-K1048 HydrophobicContact CE1-CB 3.86Å; Y1036-K1048 HydrophobicContact CE1-CD 3.51Å; Y1036-K1048 HydrophobicContact CE1-CG 3.58Å; Y1036-K1048 HydrophobicContact CE2-CG 4.44Å; Y1036-K1048 WeakPolarHBondContact OH-CD 3.23Å; Y1036-K1048 WeakPolarHBondContact OH-CE 3.37Å; Y1036-K1048 PolarHBondContact OH-NZ 2.96Å; Y1036-L1081 CarbonylContact O-C 3.56Å; Y1036-L1081 VanDerWaalsContact O-CA 3.28Å; Y1036-L1081 WeakPolarHBondContact O-CA 3.32Å; Y1036-Q1082 PolarHBondContact N-O 3.32Å; Y1036-Q1082 PolarHBondContact O-N 3.41Å; Y1036-L1151 HydrophobicContact CD1-CD1 4.17Å; Y1036-L1151 HydrophobicContact CD1-CD2 3.91Å; Y1036-L1151 HydrophobicContact CD2-CD1 3.79Å; Y1036-L1151 HydrophobicContact CD2-CD2 4.44Å; Y1036-L1151 HydrophobicContact CE1-CD1 4.22Å; Y1036-L1151 HydrophobicContact CE2-CD1 3.86Å; Y1036-L1151 HydrophobicContact CG-CD1 3.96Å; Y1036-L1151 HydrophobicContact CG-CD2 3.81Å |
| 1037 | I | 90.6 | Very high | 85.6 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.9 | 165.3 | -170.4 | 163 | 0 | 0 | 0 | 110.4 | I1012 L1042 R1047 Y1068 L1070 Y1079 L1081 | I1012-I1037 HydrophobicContact CD1-CD1 3.96Å; I1037-L1042 HydrophobicContact CG1-CD1 4.41Å; I1037-L1042 HydrophobicContact CG2-CD1 4.18Å; I1037-R1047 HydrophobicContact CG2-CB 4.28Å; I1037-R1047 PolarHBondContact N-O 2.98Å; I1037-Y1068 HydrophobicContact CB-CD1 3.89Å; I1037-Y1068 HydrophobicContact CB-CE1 4.11Å; I1037-Y1068 HydrophobicContact CB-CG 4.2Å; I1037-Y1068 HydrophobicContact CD1-CG 4.25Å; I1037-Y1068 HydrophobicContact CG2-CD1 3.34Å; I1037-Y1068 HydrophobicContact CG2-CE1 3.76Å; I1037-Y1068 HydrophobicContact CG2-CG 3.99Å; I1037-L1070 HydrophobicContact CD1-CD2 3.21Å; I1037-L1070 HydrophobicContact CG1-CD2 4.48Å; I1037-Y1079 HydrophobicContact CD1-CD1 4.43Å; I1037-Y1079 HydrophobicContact CG1-CD1 4.31Å; I1037-L1081 HydrophobicContact CB-CD2 3.94Å; I1037-L1081 HydrophobicContact CD1-CD2 4.41Å; I1037-L1081 HydrophobicContact CG1-CD2 4.16Å |
| 1038 | I | 89.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 130.3 | -175.7 | -53.6 | 176.2 | 0 | 0 | 0 | 108.5 | I957 Y1079 E1080 Q1082 F1148 L1151 | I957-I1038 HydrophobicContact CG2-CG2 4.43Å; I1038-Y1079 CarbonylContact O-C 3.58Å; I1038-Y1079 VanDerWaalsContact O-CA 3.24Å; I1038-Y1079 WeakPolarHBondContact O-CA 3.23Å; I1038-E1080 HydrophobicContact CB-CG 3.8Å; I1038-E1080 HydrophobicContact CD1-CG 4.41Å; I1038-E1080 HydrophobicContact CG2-CG 4.3Å; I1038-E1080 PolarHBondContact N-O 2.99Å; I1038-E1080 PolarHBondContact O-N 3.2Å; I1038-Q1082 HydrophobicContact CD1-CB 3.83Å; I1038-F1148 HydrophobicContact CG2-CD2 3.68Å; I1038-F1148 HydrophobicContact CG2-CE2 3.58Å; I1038-L1151 HydrophobicContact CD1-CD2 3.47Å; I1038-L1151 VanDerWaalsContact CD1-CD2 3.47Å; I1038-L1151 HydrophobicContact CD1-CG 4.37Å; I1038-L1151 HydrophobicContact CG1-CD2 3.88Å |
| 1039 | G | 85.8 | Confident | 87 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 166.3 | 178.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1042 | G1039-L1042 WeakPolarHBondContact O-CD1 3.49Š|
| 1040 | P | 82.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -74 | 157.7 | -176.4 | 34.7 | -38.9 | 0 | 0 | 0 | 111.9 | D954 R958 L1042 V1074 S1078 Y1079 | D954-P1040 HydrophobicContact CB-CB 3.94Å; D954-P1040 WeakPolarHBondContact OD1-CA 3.42Å; R958-P1040 HydrophobicContact CB-CB 4.24Å; R958-P1040 HydrophobicContact CB-CG 4.06Å; R958-P1040 HydrophobicContact CG-CG 4.35Å; P1040-L1042 PolarHBondContact O-N 3.29Å; P1040-V1074 HydrophobicContact CG-CG1 4.5Å; P1040-V1074 HydrophobicContact CG-CG2 3.59Å; P1040-S1078 WeakPolarHBondContact CD-O 3.34Å; P1040-Y1079 WeakPolarHBondContact O-CE1 3.15Å; P1040-Y1079 PolarHBondContact O-OH 3.37Å |
| 1041 | H | 81.8 | Confident | 87.4 | Confident | 57 Ų | 57 | 35.1 Ų | 35.1 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 60.6 | 42.2 | 173.8 | -49 | -74.4 | 0 | 0 | 0 | 114.4 | D954 E1073 | D954-H1041 PolarHBondContact OD1-N 2.84Å; D954-H1041 IonicContact OD2-ND1 3.49Å; H1041-E1073 IonicContact CD2-OE2 3.3Å; H1041-E1073 IonicContact CE1-OE2 3.45Å; H1041-E1073 PolarHBondContact CE1-OE2 2.97Å; H1041-E1073 IonicContact ND1-OE2 2.69Å; H1041-E1073 IonicContact NE2-OE2 3.16Å; H1041-E1073 PolarHBondContact NE2-OE2 3.47Å |
| 1042 | L | 77.8 | Confident | 87.4 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | trans | -111 | 12.1 | 178.2 | -62.7 | 177.4 | 0 | 0 | 0 | 113.5 | I1037 G1039 P1040 D1044 K1045 R1047 Y1079 | I1037-L1042 HydrophobicContact CG1-CD1 4.41Å; I1037-L1042 HydrophobicContact CG2-CD1 4.18Å; G1039-L1042 WeakPolarHBondContact O-CD1 3.49Å; P1040-L1042 PolarHBondContact O-N 3.29Å; L1042-D1044 VanDerWaalsContact C-N 3.28Å; L1042-D1044 PolarHBondContact O-N 2.88Å; L1042-K1045 PolarHBondContact O-N 3.08Å; L1042-R1047 HydrophobicContact CB-CG 3.98Å; L1042-R1047 HydrophobicContact CD1-CG 4.43Å; L1042-Y1079 HydrophobicContact CD1-CD1 4.09Å; L1042-Y1079 HydrophobicContact CD1-CE1 3.9Å; L1042-Y1079 HydrophobicContact CD2-CE1 3.8Å; L1042-Y1079 HydrophobicContact CG-CE1 3.85Å | ||
| 1043 | S | 76.4 | Confident | 87.2 | Confident | 88 Ų | 88 | 44.3 Ų | 44.3 | 62% | 0.615 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.9 | -174 | 48.4 | 0 | 0 | 0 | 0 | 114 | ||
| 1044 | D | 78.6 | Confident | 87 | Confident | 130 Ų | 130 | 48.2 Ų | 48.2 | 70% | 0.695 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -0.2 | -177.2 | 64 | -39 | 0 | 0 | 0 | 113.6 | L1042 | L1042-D1044 VanDerWaalsContact C-N 3.28Å; L1042-D1044 PolarHBondContact O-N 2.88Å |
| 1045 | K | 81.3 | Confident | 86.7 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -108.5 | 153.7 | -175.9 | -54.9 | -163.1 | -176.5 | -156.9 | 0 | 111.7 | E1009 L1042 R1047 S1069 L1070 | E1009-K1045 IonicContact OE1-NZ 2.68Å; E1009-K1045 PolarHBondContact OE1-NZ 2.83Å; E1009-K1045 VanDerWaalsContact OE1-NZ 3.07Å; L1042-K1045 PolarHBondContact O-N 3.08Å; K1045-R1047 WeakPolarHBondContact O-CG 3.46Å; K1045-R1047 PolarHBondContact O-N 2.79Å; K1045-S1069 WeakPolarHBondContact CD-O 3.3Å; K1045-L1070 PolarHBondContact NZ-O 2.93Å |
| 1046 | K | 82.8 | Confident | 86.3 | Confident | 140 Ų | 140 | 57.9 Ų | 57.9 | 61% | 0.609 | 30% | 0.295 | S | S | * | . | trans | -74.1 | 118.7 | 175.5 | -172.7 | 174.2 | 179 | 180 | 0 | 110.3 | K1048 F1049 | K1046-K1048 WeakPolarHBondContact CE-O 3.33Å; K1046-F1049 HydrophobicContact CD-CE1 3.9Å; K1046-F1049 HydrophobicContact CD-CE2 4.35Å; K1046-F1049 HydrophobicContact CD-CZ 3.75Å; K1046-F1049 HydrophobicContact CG-CE2 4.42Å; K1046-F1049 HydrophobicContact CG-CZ 4.28Å | ||
| 1047 | R | 86.1 | Confident | 86 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | trans | -102.9 | -12.9 | -171.3 | -61.1 | -177.3 | -67.6 | -156.9 | -5.8 | 116 | Y1036 I1037 L1042 K1045 E1147 | Y1036-R1047 CarbonylContact C-O 3.52Å; Y1036-R1047 VanDerWaalsContact CA-O 3.32Å; Y1036-R1047 WeakPolarHBondContact CA-O 3.35Å; I1037-R1047 HydrophobicContact CG2-CB 4.28Å; I1037-R1047 PolarHBondContact N-O 2.98Å; L1042-R1047 HydrophobicContact CB-CG 3.98Å; L1042-R1047 HydrophobicContact CD1-CG 4.43Å; K1045-R1047 WeakPolarHBondContact O-CG 3.46Å; K1045-R1047 PolarHBondContact O-N 2.79Å; R1047-E1147 IonicContact CZ-OE2 2.89Å; R1047-E1147 VanDerWaalsContact CZ-OE2 3.3Å; R1047-E1147 IonicContact NE-OE2 3.94Å; R1047-E1147 IonicContact NH2-OE2 2.72Å; R1047-E1147 PolarHBondContact NH2-OE2 3.44Å | ||
| 1048 | K | 89.8 | Confident | 85.9 | Confident | 80 Ų | 80 | 63 Ų | 63 | 35% | 0.348 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.7 | -171.4 | 178.6 | -171.9 | 177.1 | 165.6 | 0 | 111.4 | E1034 V1035 Y1036 K1046 | E1034-K1048 VanDerWaalsContact CD-CE 3.41Å; E1034-K1048 WeakPolarHBondContact OE1-CE 3.42Å; E1034-K1048 IonicContact OE1-NZ 3.96Å; E1034-K1048 PolarHBondContact OE1-NZ 3.08Å; E1034-K1048 IonicContact OE2-NZ 3.02Å; V1035-K1048 WeakPolarHBondContact O-CA 3.2Å; Y1036-K1048 HydrophobicContact CD1-CB 3.93Å; Y1036-K1048 HydrophobicContact CD1-CD 4.41Å; Y1036-K1048 HydrophobicContact CD1-CG 4.02Å; Y1036-K1048 HydrophobicContact CE1-CB 3.86Å; Y1036-K1048 HydrophobicContact CE1-CD 3.51Å; Y1036-K1048 HydrophobicContact CE1-CG 3.58Å; Y1036-K1048 HydrophobicContact CE2-CG 4.44Å; Y1036-K1048 WeakPolarHBondContact OH-CD 3.23Å; Y1036-K1048 WeakPolarHBondContact OH-CE 3.37Å; Y1036-K1048 PolarHBondContact OH-NZ 2.96Å; K1046-K1048 WeakPolarHBondContact CE-O 3.33Å |
| 1049 | F | 92.5 | Very high | 85.9 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.6 | 164.2 | -68.1 | -90.3 | 0 | 0 | 0 | 110.7 | E1034 V1035 K1046 Y1066 Q1067 Y1068 | E1034-F1049 CarbonylContact C-O 3.46Å; E1034-F1049 WeakPolarHBondContact CA-O 3.24Å; V1035-F1049 PolarHBondContact N-O 3.19Å; V1035-F1049 PolarHBondContact O-N 2.88Å; K1046-F1049 HydrophobicContact CD-CE1 3.9Å; K1046-F1049 HydrophobicContact CD-CE2 4.35Å; K1046-F1049 HydrophobicContact CD-CZ 3.75Å; K1046-F1049 HydrophobicContact CG-CE2 4.42Å; K1046-F1049 HydrophobicContact CG-CZ 4.28Å; F1049-Y1066 HydrophobicContact CB-CD1 3.54Å; F1049-Y1066 HydrophobicContact CB-CD2 3.91Å; F1049-Y1066 HydrophobicContact CB-CE1 3.93Å; F1049-Y1066 HydrophobicContact CB-CE2 4.28Å; F1049-Y1066 HydrophobicContact CB-CG 3.51Å; F1049-Y1066 AromaticContact CD1-CD1 3.4Å; F1049-Y1066 HydrophobicContact CD1-CD1 3.4Å; F1049-Y1066 HydrophobicContact CD1-CE1 4.11Å; F1049-Y1066 AromaticContact CD1-CG 3.97Å; F1049-Y1066 HydrophobicContact CD1-CG 3.97Å; F1049-Y1066 HydrophobicContact CD2-CG 4.31Å; F1049-Y1066 HydrophobicContact CE1-CD1 4.2Å; F1049-Y1066 AromaticContact CG-CD1 3.59Å; F1049-Y1066 HydrophobicContact CG-CD1 3.59Å; F1049-Y1066 HydrophobicContact CG-CE1 4.36Å; F1049-Y1066 AromaticContact CG-CG 3.7Å; F1049-Y1066 HydrophobicContact CG-CG 3.7Å; F1049-Q1067 WeakPolarHBondContact CE2-O 3.27Å; F1049-Q1067 WeakPolarHBondContact CZ-O 3.33Å; F1049-Y1068 HydrophobicContact CD2-CD1 4.07Å; F1049-Y1068 AromaticContact CD2-CE1 3.37Å; F1049-Y1068 HydrophobicContact CD2-CE1 3.37Å; F1049-Y1068 HydrophobicContact CD2-CE2 4.29Å; F1049-Y1068 AromaticContact CD2-CZ 3.49Å; F1049-Y1068 VanDerWaalsContact CD2-CZ 3.49Å; F1049-Y1068 WeakPolarHBondContact CD2-OH 3.33Å; F1049-Y1068 AromaticContact CE2-CD1 3.84Å; F1049-Y1068 HydrophobicContact CE2-CD1 3.84Å; F1049-Y1068 AromaticContact CE2-CE1 3.63Å; F1049-Y1068 HydrophobicContact CE2-CE1 3.63Å; F1049-Y1068 HydrophobicContact CE2-CG 4.48Å |
| 1050 | A | 90.8 | Very high | 86.2 | Confident | 43 Ų | 43 | 65 Ų | 65 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1032 V1033 E1034 Y1066 | F1032-A1050 HydrophobicContact CD2-CB 4.2Å; F1032-A1050 HydrophobicContact CE2-CB 4.39Å; V1033-A1050 WeakPolarHBondContact O-CA 3.5Å; E1034-A1050 HydrophobicContact CG-CB 4.12Å; A1050-Y1066 VanDerWaalsContact C-OH 3.3Å; A1050-Y1066 PolarHBondContact O-OH 2.73Å; A1050-Y1066 VanDerWaalsContact O-OH 3.08Å |
| 1051 | T | 93.1 | Very high | 86.5 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 163 | 174.3 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | V1016 V1033 F1062 E1064 Y1066 | V1016-T1051 HydrophobicContact CB-CG2 3.92Å; V1016-T1051 HydrophobicContact CG1-CG2 3.99Å; V1016-T1051 HydrophobicContact CG2-CG2 4.21Å; V1033-T1051 HydrophobicContact CB-CG2 4.23Å; V1033-T1051 PolarHBondContact N-OG1 2.97Å; V1033-T1051 PolarHBondContact O-N 3.21Å; T1051-F1062 HydrophobicContact CG2-CB 4.03Å; T1051-F1062 HydrophobicContact CG2-CD1 4.08Å; T1051-F1062 HydrophobicContact CG2-CG 4Å; T1051-F1062 VanDerWaalsContact OG1-CD1 3.24Å; T1051-F1062 WeakPolarHBondContact OG1-CD1 3.48Å; T1051-F1062 VanDerWaalsContact OG1-CE1 3.24Å; T1051-F1062 WeakPolarHBondContact OG1-CE1 3.43Å; T1051-E1064 HydrophobicContact CG2-CB 4.32Å; T1051-Y1066 WeakPolarHBondContact CA-OH 3.42Å; T1051-Y1066 HydrophobicContact CG2-CE2 4.13Å; T1051-Y1066 WeakPolarHBondContact CG2-OH 3.44Å; T1051-Y1066 PolarHBondContact N-OH 2.86Å |
| 1052 | K | 90.8 | Very high | 87 | Confident | 157 Ų | 157 | 70.3 Ų | 70.3 | 68% | 0.683 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 134.2 | 169.5 | -65.2 | -179.5 | -177.8 | 177.3 | 0 | 109.9 | F1062 E1064 | K1052-F1062 WeakPolarHBondContact O-CD1 3.26Å; K1052-F1062 VanDerWaalsContact O-CE1 3.28Å; K1052-F1062 WeakPolarHBondContact O-CE1 3.45Å; K1052-E1064 PolarHBondContact N-OE1 2.87Å; K1052-E1064 PolarHBondContact N-OE2 3.09Å |
| 1053 | S | 88.9 | Confident | 87.6 | Confident | 50 Ų | 50 | 74.4 Ų | 74.4 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 140.2 | 176.8 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | P1031 | P1031-S1053 WeakPolarHBondContact O-CA 3.49Š|
| 1054 | K | 89.5 | Confident | 88.3 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 35% | 0.352 | 36% | 0.358 | S | S | . | . | trans | -107.1 | 134.9 | 173.6 | -63.6 | -64.6 | -177.6 | 171.8 | 0 | 110.1 | R1030 P1031 P1060 K1061 F1062 | R1030-K1054 VanDerWaalsContact CA-O 3.3Å; R1030-K1054 WeakPolarHBondContact CA-O 3.45Å; P1031-K1054 VanDerWaalsContact CD-O 3.23Å; P1031-K1054 WeakPolarHBondContact CD-O 3.27Å; P1031-K1054 PolarHBondContact O-N 2.8Å; K1054-P1060 HydrophobicContact CB-CB 3.83Å; K1054-P1060 HydrophobicContact CG-CB 3.84Å; K1054-K1061 VanDerWaalsContact CE-O 3.23Å; K1054-K1061 WeakPolarHBondContact CE-O 3.41Å; K1054-F1062 HydrophobicContact CG-CD1 4.14Å; K1054-F1062 HydrophobicContact CG-CE1 3.76Å; K1054-F1062 HydrophobicContact CG-CZ 4.43Å | ||
| 1055 | N | 87.4 | Confident | 88.8 | Confident | 106 Ų | 106 | 69.7 Ų | 69.7 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 131.5 | -177.4 | -69 | -24.8 | 0 | 0 | 0 | 111.8 | R1030 S1057 | R1030-N1055 VanDerWaalsContact CD-OD1 3.25Å; R1030-N1055 WeakPolarHBondContact CD-OD1 3.38Å; R1030-N1055 VanDerWaalsContact CG-OD1 3.32Å; R1030-N1055 WeakPolarHBondContact CG-OD1 3.44Å; R1030-N1055 PolarHBondContact NE-OD1 2.83Å; R1030-N1055 VanDerWaalsContact NE-OD1 3.16Å; N1055-S1057 PolarHBondContact O-N 2.91Å |
| 1056 | N | 85.3 | Confident | 89.3 | Confident | 105 Ų | 105 | 68.7 Ų | 68.7 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 45.4 | 168.5 | -155.8 | 51.2 | 0 | 0 | 0 | 114.5 | F1029 W1058 | F1029-N1056 VanDerWaalsContact O-CA 3.23Å; F1029-N1056 WeakPolarHBondContact O-CA 3.39Å; F1029-N1056 PolarHBondContact O-N 3.03Å; N1056-W1058 WeakPolarHBondContact OD1-CH2 3.24Å; N1056-W1058 WeakPolarHBondContact OD1-CZ3 3.44Å |
| 1057 | S | 85.9 | Confident | 89.5 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | trans | -127.2 | 130.3 | -177.4 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | F1029 P1031 N1055 | F1029-S1057 WeakPolarHBondContact CD1-O 3.3Å; F1029-S1057 WeakPolarHBondContact CE1-O 3.23Å; P1031-S1057 WeakPolarHBondContact CG-O 3.3Å; N1055-S1057 PolarHBondContact O-N 2.91Å | ||
| 1058 | W | 88.8 | Confident | 89.6 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -95.6 | -10.5 | 177.1 | -78.6 | -112.3 | 0 | 0 | 0 | 113.4 | D1021 L1022 W1024 F1029 N1056 | D1021-W1058 PolarHBondContact N-O 3.19Å; L1022-W1058 WeakPolarHBondContact CB-O 3.36Å; L1022-W1058 WeakPolarHBondContact CG-O 3.34Å; L1022-W1058 PolarHBondContact N-O 2.89Å; W1024-W1058 PolarHBondContact O-NE1 3Å; F1029-W1058 HydrophobicContact CB-CH2 3.99Å; F1029-W1058 HydrophobicContact CB-CZ2 3.97Å; F1029-W1058 AromaticContact CD1-CD2 3.86Å; F1029-W1058 HydrophobicContact CD1-CD2 3.86Å; F1029-W1058 AromaticContact CD1-CE2 3.73Å; F1029-W1058 HydrophobicContact CD1-CE3 4.25Å; F1029-W1058 HydrophobicContact CD1-CG 4.3Å; F1029-W1058 HydrophobicContact CD1-CH2 4.37Å; F1029-W1058 AromaticContact CD1-CZ2 4Å; F1029-W1058 HydrophobicContact CD1-CZ2 4Å; F1029-W1058 HydrophobicContact CD1-CZ3 4.49Å; F1029-W1058 HydrophobicContact CE1-CD2 4.35Å; F1029-W1058 HydrophobicContact CE1-CG 4.33Å; F1029-W1058 HydrophobicContact CG-CZ2 4.33Å; N1056-W1058 WeakPolarHBondContact OD1-CH2 3.24Å; N1056-W1058 WeakPolarHBondContact OD1-CZ3 3.44Å |
| 1059 | S | 89.4 | Confident | 89.4 | Confident | 53 Ų | 53 | 64 Ų | 64 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -135.2 | 61.8 | 172.6 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | A1019 D1021 | A1019-S1059 CarbonylContact O-C 3.56Å; A1019-S1059 WeakPolarHBondContact O-CA 3.37Å; D1021-S1059 PolarHBondContact N-OG 3.4Å |
| 1060 | P | 90.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.019 | 33% | 0.326 | C | S | . | . | trans | -69.7 | 138.6 | -175.6 | 29.6 | -38.3 | 0 | 0 | 0 | 113.3 | A1018 A1019 L1022 P1031 K1054 F1062 | A1018-P1060 CarbonylContact C-O 3.46Å; A1018-P1060 VanDerWaalsContact CA-O 3.26Å; A1018-P1060 WeakPolarHBondContact CA-O 3.19Å; A1018-P1060 WeakPolarHBondContact CB-O 3.43Å; A1019-P1060 HydrophobicContact CB-CG 4.1Å; A1019-P1060 PolarHBondContact N-O 3.26Å; A1019-P1060 WeakPolarHBondContact O-CD 3.27Å; A1019-P1060 VanDerWaalsContact O-N 3.12Å; L1022-P1060 HydrophobicContact CD1-CG 4.37Å; P1031-P1060 HydrophobicContact CB-CG 4.24Å; P1031-P1060 HydrophobicContact CG-CB 4.39Å; P1031-P1060 HydrophobicContact CG-CG 3.79Å; K1054-P1060 HydrophobicContact CB-CB 3.83Å; K1054-P1060 HydrophobicContact CG-CB 3.84Å; P1060-F1062 HydrophobicContact CB-CE1 4.37Å; P1060-F1062 HydrophobicContact CB-CE2 3.94Å; P1060-F1062 HydrophobicContact CB-CZ 3.75Å; P1060-F1062 HydrophobicContact CG-CE2 3.65Å; P1060-F1062 HydrophobicContact CG-CZ 3.59Å | ||
| 1061 | K | 89.7 | Confident | 87.9 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 66% | 0.661 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.7 | 167.6 | -63.6 | -171 | 176.9 | -173.7 | 0 | 110.6 | A1018 K1054 | A1018-K1061 HydrophobicContact CB-CG 4.09Å; K1054-K1061 VanDerWaalsContact CE-O 3.23Å; K1054-K1061 WeakPolarHBondContact CE-O 3.41Å |
| 1062 | F | 91.1 | Very high | 87 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -53.3 | -177.2 | -59.4 | -81.4 | 0 | 0 | 0 | 111.7 | V1016 V1017 A1019 V1033 T1051 K1052 K1054 P1060 E1064 | V1016-F1062 HydrophobicContact CG1-CB 4.47Å; V1016-F1062 HydrophobicContact CG1-CD2 4.09Å; V1017-F1062 PolarHBondContact O-N 2.96Å; A1019-F1062 HydrophobicContact CB-CE2 4.2Å; V1033-F1062 HydrophobicContact CG2-CD2 4.18Å; V1033-F1062 HydrophobicContact CG2-CE2 3.6Å; V1033-F1062 HydrophobicContact CG2-CZ 3.99Å; T1051-F1062 HydrophobicContact CG2-CB 4.03Å; T1051-F1062 HydrophobicContact CG2-CD1 4.08Å; T1051-F1062 HydrophobicContact CG2-CG 4Å; T1051-F1062 VanDerWaalsContact OG1-CD1 3.24Å; T1051-F1062 WeakPolarHBondContact OG1-CD1 3.48Å; T1051-F1062 VanDerWaalsContact OG1-CE1 3.24Å; T1051-F1062 WeakPolarHBondContact OG1-CE1 3.43Å; K1052-F1062 WeakPolarHBondContact O-CD1 3.26Å; K1052-F1062 VanDerWaalsContact O-CE1 3.28Å; K1052-F1062 WeakPolarHBondContact O-CE1 3.45Å; K1054-F1062 HydrophobicContact CG-CD1 4.14Å; K1054-F1062 HydrophobicContact CG-CE1 3.76Å; K1054-F1062 HydrophobicContact CG-CZ 4.43Å; P1060-F1062 HydrophobicContact CB-CE1 4.37Å; P1060-F1062 HydrophobicContact CB-CE2 3.94Å; P1060-F1062 HydrophobicContact CB-CZ 3.75Å; P1060-F1062 HydrophobicContact CG-CE2 3.65Å; P1060-F1062 HydrophobicContact CG-CZ 3.59Å; F1062-E1064 VanDerWaalsContact C-N 3.28Å; F1062-E1064 HydrophobicContact CB-CG 4.46Å; F1062-E1064 PolarHBondContact O-N 3.37Å |
| 1063 | N | 89.9 | Confident | 86.1 | Confident | 90 Ų | 90 | 64 Ų | 64 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 39.9 | -174.8 | -66.6 | -33 | 0 | 0 | 0 | 114 | V1016 V1017 | V1016-N1063 VanDerWaalsContact O-CA 3.32Å; V1016-N1063 WeakPolarHBondContact O-CA 3.36Å; V1016-N1063 PolarHBondContact O-N 2.61Å; V1017-N1063 PolarHBondContact O-N 3.44Å |
| 1064 | E | 92 | Very high | 85.6 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.4 | 179.9 | -63.1 | -179.1 | -131 | 0 | 0 | 110.2 | K1015 V1016 T1051 K1052 F1062 Y1066 | K1015-E1064 CarbonylContact C-O 3.52Å; K1015-E1064 WeakPolarHBondContact CA-O 3.24Å; V1016-E1064 PolarHBondContact N-O 3.44Å; V1016-E1064 PolarHBondContact O-N 3.44Å; T1051-E1064 HydrophobicContact CG2-CB 4.32Å; K1052-E1064 PolarHBondContact N-OE1 2.87Å; K1052-E1064 PolarHBondContact N-OE2 3.09Å; F1062-E1064 VanDerWaalsContact C-N 3.28Å; F1062-E1064 HydrophobicContact CB-CG 4.46Å; F1062-E1064 PolarHBondContact O-N 3.37Å; E1064-Y1066 HydrophobicContact CB-CE2 4.28Å; E1064-Y1066 WeakPolarHBondContact CB-OH 3.2Å; E1064-Y1066 PolarHBondContact OE2-OH 3.03Å; E1064-Y1066 VanDerWaalsContact OE2-OH 3.08Å |
| 1065 | S | 89.9 | Confident | 85.1 | Confident | 76 Ų | 76 | 59.5 Ų | 59.5 | 53% | 0.531 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.4 | -177.8 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | V1014 K1015 | V1014-S1065 CarbonylContact O-C 3.06Å; V1014-S1065 WeakPolarHBondContact O-CA 3.07Å; K1015-S1065 WeakPolarHBondContact CG-OG 3.36Å |
| 1066 | Y | 90.6 | Very high | 84.8 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 11% | 0.106 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 153.7 | -177.4 | -51.2 | -67.6 | 0 | 0 | 0 | 110.7 | S1013 V1014 V1016 F1049 A1050 T1051 E1064 | S1013-Y1066 CarbonylContact C-O 3.59Å; S1013-Y1066 WeakPolarHBondContact CA-O 3.48Å; V1014-Y1066 PolarHBondContact N-O 3.35Å; V1014-Y1066 PolarHBondContact O-N 3.09Å; V1016-Y1066 HydrophobicContact CG2-CD2 4.47Å; V1016-Y1066 HydrophobicContact CG2-CE2 4.13Å; F1049-Y1066 HydrophobicContact CB-CD1 3.54Å; F1049-Y1066 HydrophobicContact CB-CD2 3.91Å; F1049-Y1066 HydrophobicContact CB-CE1 3.93Å; F1049-Y1066 HydrophobicContact CB-CE2 4.28Å; F1049-Y1066 HydrophobicContact CB-CG 3.51Å; F1049-Y1066 AromaticContact CD1-CD1 3.4Å; F1049-Y1066 HydrophobicContact CD1-CD1 3.4Å; F1049-Y1066 HydrophobicContact CD1-CE1 4.11Å; F1049-Y1066 AromaticContact CD1-CG 3.97Å; F1049-Y1066 HydrophobicContact CD1-CG 3.97Å; F1049-Y1066 HydrophobicContact CD2-CG 4.31Å; F1049-Y1066 HydrophobicContact CE1-CD1 4.2Å; F1049-Y1066 AromaticContact CG-CD1 3.59Å; F1049-Y1066 HydrophobicContact CG-CD1 3.59Å; F1049-Y1066 HydrophobicContact CG-CE1 4.36Å; F1049-Y1066 AromaticContact CG-CG 3.7Å; F1049-Y1066 HydrophobicContact CG-CG 3.7Å; A1050-Y1066 VanDerWaalsContact C-OH 3.3Å; A1050-Y1066 PolarHBondContact O-OH 2.73Å; A1050-Y1066 VanDerWaalsContact O-OH 3.08Å; T1051-Y1066 WeakPolarHBondContact CA-OH 3.42Å; T1051-Y1066 HydrophobicContact CG2-CE2 4.13Å; T1051-Y1066 WeakPolarHBondContact CG2-OH 3.44Å; T1051-Y1066 PolarHBondContact N-OH 2.86Å; E1064-Y1066 HydrophobicContact CB-CE2 4.28Å; E1064-Y1066 WeakPolarHBondContact CB-OH 3.2Å; E1064-Y1066 PolarHBondContact OE2-OH 3.03Å; E1064-Y1066 VanDerWaalsContact OE2-OH 3.08Å |
| 1067 | Q | 88.2 | Confident | 84.7 | Confident | 115 Ų | 115 | 53.8 Ų | 53.8 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.3 | 176.6 | -69 | -175.2 | -8.9 | 0 | 0 | 111.1 | I1012 F1049 | I1012-Q1067 WeakPolarHBondContact O-CA 3.47Å; F1049-Q1067 WeakPolarHBondContact CE2-O 3.27Å; F1049-Q1067 WeakPolarHBondContact CZ-O 3.33Å |
| 1068 | Y | 88.2 | Confident | 84.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.3 | 172.2 | -57.8 | -84.1 | 0 | 0 | 0 | 109.9 | K1011 I1012 V1014 V1035 I1037 F1049 L1081 | K1011-Y1068 CarbonylContact C-O 3.54Å; K1011-Y1068 VanDerWaalsContact CA-O 3.27Å; K1011-Y1068 WeakPolarHBondContact CA-O 2.95Å; I1012-Y1068 PolarHBondContact N-O 2.92Å; I1012-Y1068 PolarHBondContact O-N 3.44Å; V1014-Y1068 HydrophobicContact CB-CE2 4.26Å; V1014-Y1068 HydrophobicContact CG2-CD2 4.04Å; V1014-Y1068 HydrophobicContact CG2-CE2 3.79Å; V1035-Y1068 WeakPolarHBondContact CB-OH 3.35Å; V1035-Y1068 HydrophobicContact CG1-CE2 4.3Å; V1035-Y1068 WeakPolarHBondContact CG1-OH 3.48Å; V1035-Y1068 PolarHBondContact O-OH 2.97Å; I1037-Y1068 HydrophobicContact CB-CD1 3.89Å; I1037-Y1068 HydrophobicContact CB-CE1 4.11Å; I1037-Y1068 HydrophobicContact CB-CG 4.2Å; I1037-Y1068 HydrophobicContact CD1-CG 4.25Å; I1037-Y1068 HydrophobicContact CG2-CD1 3.34Å; I1037-Y1068 HydrophobicContact CG2-CE1 3.76Å; I1037-Y1068 HydrophobicContact CG2-CG 3.99Å; F1049-Y1068 HydrophobicContact CD2-CD1 4.07Å; F1049-Y1068 AromaticContact CD2-CE1 3.37Å; F1049-Y1068 HydrophobicContact CD2-CE1 3.37Å; F1049-Y1068 HydrophobicContact CD2-CE2 4.29Å; F1049-Y1068 AromaticContact CD2-CZ 3.49Å; F1049-Y1068 VanDerWaalsContact CD2-CZ 3.49Å; F1049-Y1068 WeakPolarHBondContact CD2-OH 3.33Å; F1049-Y1068 AromaticContact CE2-CD1 3.84Å; F1049-Y1068 HydrophobicContact CE2-CD1 3.84Å; F1049-Y1068 AromaticContact CE2-CE1 3.63Å; F1049-Y1068 HydrophobicContact CE2-CE1 3.63Å; F1049-Y1068 HydrophobicContact CE2-CG 4.48Å; Y1068-L1081 HydrophobicContact CD2-CD2 4.39Å; Y1068-L1081 HydrophobicContact CE2-CD2 4.16Å |
| 1069 | S | 84.2 | Confident | 84.8 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.1 | 171.7 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | K1045 | K1045-S1069 WeakPolarHBondContact CD-O 3.3Å |
| 1070 | L | 82.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -87.9 | 160.2 | 179.4 | -52.5 | -169.3 | 0 | 0 | 0 | 111.6 | H1010 I1012 I1037 K1045 P1076 Y1079 | H1010-L1070 HydrophobicContact CB-CB 4.31Å; H1010-L1070 HydrophobicContact CB-CD1 3.77Å; H1010-L1070 HydrophobicContact CB-CG 4.11Å; H1010-L1070 WeakPolarHBondContact O-CB 3.39Å; H1010-L1070 WeakPolarHBondContact O-CG 3.47Å; H1010-L1070 PolarHBondContact O-N 3.27Å; I1012-L1070 HydrophobicContact CD1-CD1 3.94Å; I1012-L1070 HydrophobicContact CD1-CD2 3.89Å; I1012-L1070 HydrophobicContact CD1-CG 4.31Å; I1012-L1070 HydrophobicContact CG1-CD1 4.1Å; I1012-L1070 HydrophobicContact CG1-CD2 4.13Å; I1012-L1070 HydrophobicContact CG1-CG 4.23Å; I1037-L1070 HydrophobicContact CD1-CD2 3.21Å; I1037-L1070 HydrophobicContact CG1-CD2 4.48Å; K1045-L1070 PolarHBondContact NZ-O 2.93Å; L1070-P1076 HydrophobicContact CD1-CB 3.92Å; L1070-Y1079 HydrophobicContact CB-CE2 4.21Å; L1070-Y1079 HydrophobicContact CD1-CD2 3.9Å; L1070-Y1079 HydrophobicContact CD1-CE2 4.1Å; L1070-Y1079 HydrophobicContact CD1-CG 4.47Å; L1070-Y1079 HydrophobicContact CD2-CD1 4.28Å; L1070-Y1079 HydrophobicContact CD2-CD2 4.35Å; L1070-Y1079 HydrophobicContact CD2-CE1 4.47Å; L1070-Y1079 HydrophobicContact CD2-CE2 4.47Å; L1070-Y1079 HydrophobicContact CD2-CG 4.25Å; L1070-Y1079 HydrophobicContact CG-CE2 4.5Å | ||
| 1071 | G | 70.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | trans | -66.5 | 159.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1079 | G1071-Y1079 PolarHBondContact N-OH 2.92Š| ||
| 1072 | T | 72.2 | Confident | 85 | Confident | 98 Ų | 98 | 37.7 Ų | 37.7 | 60% | 0.601 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -83.9 | -13.6 | 178.3 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | E1009 | E1009-T1072 HydrophobicContact CG-CG2 3.5Å; E1009-T1072 VanDerWaalsContact CG-CG2 3.5Å |
| 1073 | E | 72.9 | Confident | 85.1 | Confident | 143 Ų | 143 | 37 Ų | 37 | 67% | 0.668 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -86.2 | -23.5 | -170.2 | -63.3 | -170.1 | -176.2 | 0 | 0 | 114.8 | H1041 | H1041-E1073 IonicContact CD2-OE2 3.3Å; H1041-E1073 IonicContact CE1-OE2 3.45Å; H1041-E1073 PolarHBondContact CE1-OE2 2.97Å; H1041-E1073 IonicContact ND1-OE2 2.69Å; H1041-E1073 IonicContact NE2-OE2 3.16Å; H1041-E1073 PolarHBondContact NE2-OE2 3.47Å |
| 1074 | V | 77.6 | Confident | 85.2 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 11% | 0.109 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -136.9 | 148.9 | -178.2 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | P1040 Y1079 | P1040-V1074 HydrophobicContact CG-CG1 4.5Å; P1040-V1074 HydrophobicContact CG-CG2 3.59Å; V1074-Y1079 HydrophobicContact CG2-CE2 3.73Å; V1074-Y1079 WeakPolarHBondContact CG2-OH 3.03Å |
| 1075 | G | 80.4 | Confident | 85.2 | Confident | 18 Ų | 18 | 30.7 Ų | 30.7 | 19% | 0.186 | 17% | 0.172 | C | C | . | . | trans | -73.3 | 168.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1077 S1078 Y1079 | G1075-E1077 VanDerWaalsContact C-CD 3.49Å; G1075-E1077 VanDerWaalsContact CA-OE1 3.27Å; G1075-E1077 WeakPolarHBondContact CA-OE1 3.41Å; G1075-E1077 WeakPolarHBondContact CA-OE2 3.42Å; G1075-E1077 PolarHBondContact N-OE1 3.05Å; G1075-E1077 PolarHBondContact O-N 3.25Å; G1075-E1077 VanDerWaalsContact O-N 3.09Å; G1075-S1078 PolarHBondContact O-N 2.96Å; G1075-S1078 VanDerWaalsContact O-N 3.12Å; G1075-Y1079 WeakPolarHBondContact O-CD2 3.17Å | ||
| 1076 | P | 80.6 | Confident | 85.2 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -58.7 | -22.2 | -178.1 | 24.9 | -34 | 0 | 0 | 0 | 113.5 | L1070 S1078 Y1079 V1104 A1108 | L1070-P1076 HydrophobicContact CD1-CB 3.92Å; P1076-S1078 PolarHBondContact O-N 3.41Å; P1076-Y1079 PolarHBondContact O-N 3.01Å; P1076-V1104 HydrophobicContact CB-CG1 3.89Å; P1076-V1104 WeakPolarHBondContact O-CB 3.16Å; P1076-V1104 WeakPolarHBondContact O-CG1 3.28Å; P1076-A1108 HydrophobicContact CG-CB 4.43Å |
| 1077 | E | 83.1 | Confident | 85.1 | Confident | 77 Ų | 77 | 27.3 Ų | 27.3 | 36% | 0.36 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -64.8 | -18.2 | 176.9 | 71.6 | -68.3 | 156.9 | 0 | 0 | 114.7 | G1075 Y1079 K1105 | G1075-E1077 VanDerWaalsContact C-CD 3.49Å; G1075-E1077 VanDerWaalsContact CA-OE1 3.27Å; G1075-E1077 WeakPolarHBondContact CA-OE1 3.41Å; G1075-E1077 WeakPolarHBondContact CA-OE2 3.42Å; G1075-E1077 PolarHBondContact N-OE1 3.05Å; G1075-E1077 PolarHBondContact O-N 3.25Å; G1075-E1077 VanDerWaalsContact O-N 3.09Å; E1077-Y1079 PolarHBondContact O-N 3.01Å; E1077-K1105 HydrophobicContact CB-CB 3.82Å |
| 1078 | S | 86.7 | Confident | 85 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -86.3 | 7.6 | 176.6 | -62.6 | 0 | 0 | 0 | 0 | 113.3 | P1040 G1075 P1076 | P1040-S1078 WeakPolarHBondContact CD-O 3.34Å; G1075-S1078 PolarHBondContact O-N 2.96Å; G1075-S1078 VanDerWaalsContact O-N 3.12Å; P1076-S1078 PolarHBondContact O-N 3.41Å |
| 1079 | Y | 89.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -121.3 | 153.5 | -177.3 | -61.9 | -89 | 0 | 0 | 0 | 112.6 | I1037 I1038 P1040 L1042 L1070 G1071 V1074 G1075 P1076 E1077 V1104 | I1037-Y1079 HydrophobicContact CD1-CD1 4.43Å; I1037-Y1079 HydrophobicContact CG1-CD1 4.31Å; I1038-Y1079 CarbonylContact O-C 3.58Å; I1038-Y1079 VanDerWaalsContact O-CA 3.24Å; I1038-Y1079 WeakPolarHBondContact O-CA 3.23Å; P1040-Y1079 WeakPolarHBondContact O-CE1 3.15Å; P1040-Y1079 PolarHBondContact O-OH 3.37Å; L1042-Y1079 HydrophobicContact CD1-CD1 4.09Å; L1042-Y1079 HydrophobicContact CD1-CE1 3.9Å; L1042-Y1079 HydrophobicContact CD2-CE1 3.8Å; L1042-Y1079 HydrophobicContact CG-CE1 3.85Å; L1070-Y1079 HydrophobicContact CB-CE2 4.21Å; L1070-Y1079 HydrophobicContact CD1-CD2 3.9Å; L1070-Y1079 HydrophobicContact CD1-CE2 4.1Å; L1070-Y1079 HydrophobicContact CD1-CG 4.47Å; L1070-Y1079 HydrophobicContact CD2-CD1 4.28Å; L1070-Y1079 HydrophobicContact CD2-CD2 4.35Å; L1070-Y1079 HydrophobicContact CD2-CE1 4.47Å; L1070-Y1079 HydrophobicContact CD2-CE2 4.47Å; L1070-Y1079 HydrophobicContact CD2-CG 4.25Å; L1070-Y1079 HydrophobicContact CG-CE2 4.5Å; G1071-Y1079 PolarHBondContact N-OH 2.92Å; V1074-Y1079 HydrophobicContact CG2-CE2 3.73Å; V1074-Y1079 WeakPolarHBondContact CG2-OH 3.03Å; G1075-Y1079 WeakPolarHBondContact O-CD2 3.17Å; P1076-Y1079 PolarHBondContact O-N 3.01Å; E1077-Y1079 PolarHBondContact O-N 3.01Å; Y1079-V1104 WeakPolarHBondContact O-CB 3.48Å; Y1079-V1104 WeakPolarHBondContact O-CG2 3.26Å; Y1079-V1104 PolarHBondContact O-N 3.39Å; Y1079-V1104 VanDerWaalsContact O-N 3.11Å | ||
| 1080 | E | 91.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149 | 172.5 | 63.5 | -175.9 | -146.6 | 0 | 0 | 110.5 | V961 Q967 I1038 V1101 Q1103 K1152 | V961-E1080 HydrophobicContact CG1-CB 4.29Å; V961-E1080 HydrophobicContact CG1-CG 4.33Å; V961-E1080 HydrophobicContact CG2-CG 4.08Å; Q967-E1080 PolarHBondContact NE2-OE1 3.2Å; Q967-E1080 PolarHBondContact NE2-OE2 3.28Å; Q967-E1080 PolarHBondContact OE1-OE2 3.43Å; I1038-E1080 HydrophobicContact CB-CG 3.8Å; I1038-E1080 HydrophobicContact CD1-CG 4.41Å; I1038-E1080 HydrophobicContact CG2-CG 4.3Å; I1038-E1080 PolarHBondContact N-O 2.99Å; I1038-E1080 PolarHBondContact O-N 3.2Å; E1080-V1101 HydrophobicContact CB-CG1 4.24Å; E1080-V1101 HydrophobicContact CG-CG1 4.4Å; E1080-Q1103 PolarHBondContact OE2-NE2 2.92Å; E1080-K1152 WeakPolarHBondContact OE1-CE 3.23Å; E1080-K1152 IonicContact OE1-NZ 2.86Å; E1080-K1152 PolarHBondContact OE1-NZ 2.89Å |
| 1081 | L | 91 | Very high | 83.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119 | 174.6 | -69.6 | 171.1 | 0 | 0 | 0 | 109.5 | M998 V1000 I1012 V1014 V1035 Y1036 I1037 Y1068 V1101 L1102 V1104 | M998-L1081 HydrophobicContact CE-CD1 4.2Å; V1000-L1081 HydrophobicContact CG1-CD1 4.22Å; V1000-L1081 HydrophobicContact CG2-CD1 4.44Å; I1012-L1081 HydrophobicContact CG2-CD1 4.31Å; V1014-L1081 HydrophobicContact CG2-CD1 3.92Å; V1035-L1081 HydrophobicContact CG1-CD2 4.19Å; Y1036-L1081 CarbonylContact O-C 3.56Å; Y1036-L1081 VanDerWaalsContact O-CA 3.28Å; Y1036-L1081 WeakPolarHBondContact O-CA 3.32Å; I1037-L1081 HydrophobicContact CB-CD2 3.94Å; I1037-L1081 HydrophobicContact CD1-CD2 4.41Å; I1037-L1081 HydrophobicContact CG1-CD2 4.16Å; Y1068-L1081 HydrophobicContact CD2-CD2 4.39Å; Y1068-L1081 HydrophobicContact CE2-CD2 4.16Å; L1081-V1101 CarbonylContact O-C 3.55Å; L1081-V1101 WeakPolarHBondContact O-CA 3.37Å; L1081-L1102 HydrophobicContact CB-CB 4.36Å; L1081-L1102 HydrophobicContact CD1-CD2 4.44Å; L1081-L1102 PolarHBondContact N-O 2.88Å; L1081-L1102 PolarHBondContact O-N 3.05Å; L1081-V1104 HydrophobicContact CG-CG2 4.26Å |
| 1082 | Q | 91.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.6 | 172.4 | -179 | 165.6 | -30.2 | 0 | 0 | 109.9 | Y1036 I1038 V1101 L1151 | Y1036-Q1082 PolarHBondContact N-O 3.32Å; Y1036-Q1082 PolarHBondContact O-N 3.41Å; I1038-Q1082 HydrophobicContact CD1-CB 3.83Å; Q1082-V1101 HydrophobicContact CB-CG2 4.38Å; Q1082-V1101 HydrophobicContact CG-CG2 4.13Å; Q1082-L1151 HydrophobicContact CG-CD1 4.45Å; Q1082-L1151 PolarHBondContact NE2-O 3.05Å |
| 1083 | V | 92.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.4 | -179.5 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V996 M998 V1033 E1034 V1035 M1099 A1100 L1117 | V996-V1083 HydrophobicContact CB-CG1 4.4Å; V996-V1083 HydrophobicContact CG1-CG1 4.1Å; V996-V1083 HydrophobicContact CG2-CG1 4.32Å; M998-V1083 HydrophobicContact CE-CG2 4.03Å; M998-V1083 HydrophobicContact SD-CG2 3.92Å; V1033-V1083 HydrophobicContact CG1-CG1 3.48Å; V1033-V1083 VanDerWaalsContact CG1-CG1 3.48Å; E1034-V1083 CarbonylContact O-C 3.5Å; E1034-V1083 WeakPolarHBondContact O-CA 3.31Å; V1035-V1083 HydrophobicContact CG1-CG2 4.33Å; V1035-V1083 HydrophobicContact CG2-CG1 4.43Å; V1035-V1083 HydrophobicContact CG2-CG2 4.3Å; V1083-M1099 CarbonylContact O-C 3.59Å; V1083-M1099 WeakPolarHBondContact O-CA 3.46Å; V1083-A1100 PolarHBondContact N-O 3.42Å; V1083-A1100 PolarHBondContact O-N 2.97Å; V1083-L1117 HydrophobicContact CB-CD1 4.49Å; V1083-L1117 HydrophobicContact CG2-CD1 3.88Å |
| 1084 | C | 91.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 118 | -179.7 | -64.2 | 0 | 0 | 0 | 0 | 109.5 | E1034 M1099 | E1034-C1084 HydrophobicContact CB-CB 4.42Å; E1034-C1084 PolarHBondContact N-O 3.06Å; E1034-C1084 PolarHBondContact O-N 2.93Å; C1084-M1099 HydrophobicContact CB-CG 4.26Å |
| 1085 | V | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.8 | 169.6 | -175 | 0 | 0 | 0 | 0 | 108.4 | V996 L1022 P1031 F1032 V1033 V1097 G1098 L1119 | V996-V1085 HydrophobicContact CG2-CG2 3.41Å; V996-V1085 VanDerWaalsContact CG2-CG2 3.41Å; L1022-V1085 HydrophobicContact CD1-CG1 3.95Å; L1022-V1085 HydrophobicContact CD2-CG1 4.09Å; P1031-V1085 HydrophobicContact CB-CG1 4.43Å; F1032-V1085 WeakPolarHBondContact O-CA 3.49Å; V1033-V1085 HydrophobicContact CG2-CG2 4.18Å; V1085-V1097 HydrophobicContact CB-CB 4.33Å; V1085-V1097 HydrophobicContact CG1-CB 4.16Å; V1085-V1097 WeakPolarHBondContact O-CB 3.4Å; V1085-V1097 PolarHBondContact O-N 3.19Å; V1085-G1098 PolarHBondContact N-O 3.11Å; V1085-G1098 PolarHBondContact O-N 2.95Å; V1085-L1119 HydrophobicContact CB-CD1 4.08Å; V1085-L1119 HydrophobicContact CG2-CD1 3.5Å; V1085-L1119 HydrophobicContact CG2-CD2 3.97Å; V1085-L1119 HydrophobicContact CG2-CG 4.38Å |
| 1086 | K | 90.9 | Very high | 85 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 11% | 0.109 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.2 | -178.1 | -68.2 | -172 | 175.1 | 168.1 | 0 | 112 | P1031 F1032 E1034 D1094 R1095 D1154 | P1031-K1086 CarbonylContact C-O 3.37Å; P1031-K1086 VanDerWaalsContact CA-O 3.28Å; P1031-K1086 WeakPolarHBondContact CA-O 3.43Å; F1032-K1086 HydrophobicContact CD1-CB 4.25Å; F1032-K1086 WeakPolarHBondContact CD1-O 3.47Å; F1032-K1086 HydrophobicContact CE1-CB 3.63Å; F1032-K1086 HydrophobicContact CE2-CB 4.29Å; F1032-K1086 HydrophobicContact CZ-CB 3.66Å; F1032-K1086 HydrophobicContact CZ-CD 4.33Å; F1032-K1086 PolarHBondContact N-O 3.28Å; F1032-K1086 PolarHBondContact O-N 3.5Å; E1034-K1086 WeakPolarHBondContact OE2-CE 3.45Å; E1034-K1086 IonicContact OE2-NZ 3.16Å; E1034-K1086 PolarHBondContact OE2-NZ 2.89Å; K1086-D1094 HydrophobicContact CB-CB 4.29Å; K1086-D1094 HydrophobicContact CD-CB 4.17Å; K1086-R1095 CarbonylContact C-O 3.29Å; K1086-R1095 WeakPolarHBondContact CA-O 3.2Å; K1086-D1154 IonicContact NZ-OD2 3.03Å |
| 1087 | D | 88.7 | Confident | 85.3 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.4 | 173 | -172.8 | 14.4 | 0 | 0 | 0 | 109.5 | W1024 F1029 R1030 C1089 R1095 V1097 | W1024-D1087 PolarHBondContact NE1-OD2 3.34Å; F1029-D1087 HydrophobicContact CD2-CB 4.02Å; F1029-D1087 VanDerWaalsContact CD2-CG 3.41Å; F1029-D1087 WeakPolarHBondContact CD2-OD1 3.38Å; F1029-D1087 HydrophobicContact CE2-CB 3.9Å; R1030-D1087 PolarHBondContact N-OD1 3.16Å; D1087-C1089 PolarHBondContact O-N 3.35Å; D1087-R1095 HydrophobicContact CB-CB 4.41Å; D1087-R1095 PolarHBondContact N-O 3.06Å; D1087-R1095 PolarHBondContact O-N 3.48Å; D1087-R1095 VanDerWaalsContact O-N 3.14Å; D1087-V1097 HydrophobicContact CB-CG2 4.01Å |
| 1088 | Y | 86.2 | Confident | 85.6 | Confident | 94 Ų | 94 | 44 Ų | 44 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | trans | -68.3 | 121.7 | -177.8 | 175.3 | -94.6 | 0 | 0 | 0 | 111.3 | R1030 D1094 | R1030-Y1088 PolarHBondContact O-N 3.07Å; Y1088-D1094 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 1089 | C | 79.2 | Confident | 85.8 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | trans | -114.3 | 120.1 | -179.4 | -69.4 | 0 | 0 | 0 | 0 | 111.2 | D1087 A1091 R1092 D1094 | D1087-C1089 PolarHBondContact O-N 3.35Å; C1089-A1091 PolarHBondContact O-N 3.42Å; C1089-R1092 HydrophobicContact CB-CB 4.05Å; C1089-R1092 VanDerWaalsContact O-O 3.13Å; C1089-D1094 PolarHBondContact N-OD1 2.95Å; C1089-D1094 VanDerWaalsContact N-OD1 3.12Å | ||
| 1090 | F | 72.8 | Confident | 85.9 | Confident | 178 Ų | 178 | 44 Ų | 44 | 78% | 0.781 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | 122.9 | 175 | -169.3 | -102.4 | 0 | 0 | 0 | 110.3 | R1092 | F1090-R1092 VanDerWaalsContact C-N 3.31Å; F1090-R1092 PolarHBondContact O-N 3.23Å |
| 1091 | A | 67.6 | Low | 85.8 | Confident | 97 Ų | 97 | 44.6 Ų | 44.6 | 80% | 0.802 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66 | 17.5 | -180 | 0 | 0 | 0 | 0 | 0 | 116.7 | C1089 | C1089-A1091 PolarHBondContact O-N 3.42Š|
| 1092 | R | 73.9 | Confident | 85.7 | Confident | 184 Ų | 184 | 44.6 Ų | 44.6 | 69% | 0.694 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -136 | 166.5 | 169.7 | -63.6 | -177.5 | -178.4 | 178.1 | -0.5 | 109.7 | C1089 F1090 | C1089-R1092 HydrophobicContact CB-CB 4.05Å; C1089-R1092 VanDerWaalsContact O-O 3.13Å; F1090-R1092 VanDerWaalsContact C-N 3.31Å; F1090-R1092 PolarHBondContact O-N 3.23Å |
| 1093 | E | 75.3 | Confident | 85.6 | Confident | 163 Ų | 163 | 45 Ų | 45 | 76% | 0.762 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -64.4 | 139.6 | 170.5 | -68.1 | -169 | 148.3 | 0 | 0 | 110.7 | ||
| 1094 | D | 84.3 | Confident | 85.3 | Confident | 57 Ų | 57 | 45 Ų | 45 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -62.3 | 138.4 | 177.6 | -61.6 | -40.6 | 0 | 0 | 0 | 110.9 | F1032 K1086 Y1088 C1089 | F1032-D1094 HydrophobicContact CE1-CB 4.16Å; F1032-D1094 HydrophobicContact CZ-CB 4.05Å; F1032-D1094 WeakPolarHBondContact CZ-OD2 3.43Å; K1086-D1094 HydrophobicContact CB-CB 4.29Å; K1086-D1094 HydrophobicContact CD-CB 4.17Å; Y1088-D1094 WeakPolarHBondContact CA-OD1 3.39Å; C1089-D1094 PolarHBondContact N-OD1 2.95Å; C1089-D1094 VanDerWaalsContact N-OD1 3.12Å |
| 1095 | R | 85.3 | Confident | 84.9 | Confident | 81 Ų | 81 | 47.1 Ų | 47.1 | 31% | 0.306 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 132.2 | -172.4 | -63.9 | 176.6 | 174.2 | -163.8 | -9.6 | 111.5 | W1024 K1086 D1087 V1097 E1160 | W1024-R1095 HydrophobicContact CH2-CB 4.49Å; W1024-R1095 HydrophobicContact CZ2-CB 4Å; K1086-R1095 CarbonylContact C-O 3.29Å; K1086-R1095 WeakPolarHBondContact CA-O 3.2Å; D1087-R1095 HydrophobicContact CB-CB 4.41Å; D1087-R1095 PolarHBondContact N-O 3.06Å; D1087-R1095 PolarHBondContact O-N 3.48Å; D1087-R1095 VanDerWaalsContact O-N 3.14Å; R1095-V1097 PolarHBondContact O-N 2.78Å; R1095-E1160 IonicContact CZ-OE2 3.73Å; R1095-E1160 IonicContact NH1-OE1 2.69Å; R1095-E1160 IonicContact NH1-OE2 3.66Å; R1095-E1160 PolarHBondContact NH1-OE2 2.77Å |
| 1096 | T | 88.8 | Confident | 84.5 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 114.4 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | M1099 D1154 R1156 | T1096-M1099 HydrophobicContact CG2-CG 3.62Å; T1096-M1099 HydrophobicContact CG2-SD 3.96Å; T1096-D1154 PolarHBondContact OG1-OD1 3.49Å; T1096-D1154 PolarHBondContact OG1-OD2 2.96Å; T1096-D1154 VanDerWaalsContact OG1-OD2 3.08Å; T1096-R1156 WeakPolarHBondContact O-CG 3.34Å |
| 1097 | V | 88.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -41.1 | 178.6 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | W1024 F1029 V1085 D1087 R1095 R1156 | W1024-V1097 HydrophobicContact CB-CG1 3.89Å; W1024-V1097 HydrophobicContact CD2-CB 4.33Å; W1024-V1097 HydrophobicContact CD2-CG1 4.09Å; W1024-V1097 HydrophobicContact CD2-CG2 3.87Å; W1024-V1097 HydrophobicContact CE3-CB 4.25Å; W1024-V1097 HydrophobicContact CE3-CG1 4Å; W1024-V1097 HydrophobicContact CE3-CG2 4.25Å; W1024-V1097 HydrophobicContact CG-CG1 4.07Å; W1024-V1097 HydrophobicContact CG-CG2 4.06Å; F1029-V1097 HydrophobicContact CE2-CG2 3.9Å; F1029-V1097 HydrophobicContact CZ-CG2 4.31Å; V1085-V1097 HydrophobicContact CB-CB 4.33Å; V1085-V1097 HydrophobicContact CG1-CB 4.16Å; V1085-V1097 WeakPolarHBondContact O-CB 3.4Å; V1085-V1097 PolarHBondContact O-N 3.19Å; D1087-V1097 HydrophobicContact CB-CG2 4.01Å; R1095-V1097 PolarHBondContact O-N 2.78Å; V1097-R1156 VanDerWaalsContact O-CD 3.32Å; V1097-R1156 WeakPolarHBondContact O-CD 3.3Å; V1097-R1156 PolarHBondContact O-NH1 3.4Å |
| 1098 | G | 89.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179 | 159.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1085 G1120 | V1085-G1098 PolarHBondContact N-O 3.11Å; V1085-G1098 PolarHBondContact O-N 2.95Å; G1098-G1120 WeakPolarHBondContact CA-O 3.49Å |
| 1099 | M | 91.6 | Very high | 83 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.9 | -176.9 | -51.3 | -174.9 | -62.4 | 0 | 0 | 111.8 | V1083 C1084 T1096 L1119 G1120 V1123 D1154 | V1083-M1099 CarbonylContact O-C 3.59Å; V1083-M1099 WeakPolarHBondContact O-CA 3.46Å; C1084-M1099 HydrophobicContact CB-CG 4.26Å; T1096-M1099 HydrophobicContact CG2-CG 3.62Å; T1096-M1099 HydrophobicContact CG2-SD 3.96Å; M1099-L1119 WeakPolarHBondContact O-CA 3.33Å; M1099-G1120 PolarHBondContact N-O 2.84Å; M1099-G1120 PolarHBondContact O-N 2.64Å; M1099-V1123 HydrophobicContact CE-CG2 3.67Å; M1099-D1154 WeakPolarHBondContact CE-O 3.37Å; M1099-D1154 HydrophobicContact SD-CB 4.12Å |
| 1100 | A | 90.4 | Very high | 82.6 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1083 L1117 L1119 | V1083-A1100 PolarHBondContact N-O 3.42Å; V1083-A1100 PolarHBondContact O-N 2.97Å; A1100-L1117 HydrophobicContact CB-CB 3.8Å; A1100-L1119 HydrophobicContact CB-CD2 4.1Å |
| 1101 | V | 90.6 | Very high | 82.4 | Confident | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 128.5 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | Q967 V968 I974 E1080 L1081 Q1082 V1123 | Q967-V1101 HydrophobicContact CB-CB 4.36Å; Q967-V1101 HydrophobicContact CB-CG2 4.41Å; Q967-V1101 VanDerWaalsContact OE1-CG1 3.28Å; V968-V1101 HydrophobicContact CG2-CG2 4.17Å; I974-V1101 WeakPolarHBondContact CD1-O 3.31Å; E1080-V1101 HydrophobicContact CB-CG1 4.24Å; E1080-V1101 HydrophobicContact CG-CG1 4.4Å; L1081-V1101 CarbonylContact O-C 3.55Å; L1081-V1101 WeakPolarHBondContact O-CA 3.37Å; Q1082-V1101 HydrophobicContact CB-CG2 4.38Å; Q1082-V1101 HydrophobicContact CG-CG2 4.13Å; V1101-V1123 HydrophobicContact CG2-CG2 4.13Å |
| 1102 | L | 88.5 | Confident | 83 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.9 | 176.1 | 177.3 | 65.1 | 0 | 0 | 0 | 108.7 | I974 Y976 M998 V1000 L1081 V1104 I1107 C1115 L1117 | I974-L1102 HydrophobicContact CD1-CD1 4.4Å; I974-L1102 HydrophobicContact CG2-CD1 4.38Å; Y976-L1102 HydrophobicContact CE1-CD1 4.08Å; M998-L1102 HydrophobicContact CE-CD2 3.87Å; V1000-L1102 HydrophobicContact CG2-CD2 3.97Å; L1081-L1102 HydrophobicContact CB-CB 4.36Å; L1081-L1102 HydrophobicContact CD1-CD2 4.44Å; L1081-L1102 PolarHBondContact N-O 2.88Å; L1081-L1102 PolarHBondContact O-N 3.05Å; L1102-V1104 PolarHBondContact O-N 3.41Å; L1102-I1107 HydrophobicContact CD1-CG2 4.35Å; L1102-I1107 HydrophobicContact CD2-CD1 4.02Å; L1102-C1115 HydrophobicContact CD2-CB 4.36Å; L1102-L1117 HydrophobicContact CB-CD2 4.21Å; L1102-L1117 HydrophobicContact CD1-CD2 4.29Å |
| 1103 | Q | 88.4 | Confident | 83.6 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.4 | 175.9 | -72.2 | -69 | -30.6 | 0 | 0 | 109.3 | E1080 K1105 D1106 | E1080-Q1103 PolarHBondContact OE2-NE2 2.92Å; Q1103-K1105 HydrophobicContact CB-CG 4.04Å; Q1103-K1105 PolarHBondContact O-N 3.18Å; Q1103-D1106 WeakPolarHBondContact O-CB 3.35Å; Q1103-D1106 PolarHBondContact O-N 3.47Å; Q1103-D1106 VanDerWaalsContact O-N 3.1Å |
| 1104 | V | 87.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -66.5 | -30.6 | -176.4 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | I1002 I1012 P1076 Y1079 L1081 L1102 D1106 I1107 A1108 | I1002-V1104 HydrophobicContact CD1-CG1 3.77Å; I1012-V1104 HydrophobicContact CD1-CG1 3.93Å; I1012-V1104 HydrophobicContact CD1-CG2 3.98Å; P1076-V1104 HydrophobicContact CB-CG1 3.89Å; P1076-V1104 WeakPolarHBondContact O-CB 3.16Å; P1076-V1104 WeakPolarHBondContact O-CG1 3.28Å; Y1079-V1104 WeakPolarHBondContact O-CB 3.48Å; Y1079-V1104 WeakPolarHBondContact O-CG2 3.26Å; Y1079-V1104 PolarHBondContact O-N 3.39Å; Y1079-V1104 VanDerWaalsContact O-N 3.11Å; L1081-V1104 HydrophobicContact CG-CG2 4.26Å; L1102-V1104 PolarHBondContact O-N 3.41Å; V1104-D1106 PolarHBondContact O-N 2.88Å; V1104-D1106 VanDerWaalsContact O-N 3.14Å; V1104-I1107 VanDerWaalsContact O-CG1 3.29Å; V1104-I1107 WeakPolarHBondContact O-CG1 3.39Å; V1104-I1107 PolarHBondContact O-N 2.8Å; V1104-I1107 VanDerWaalsContact O-N 3.09Å; V1104-A1108 WeakPolarHBondContact O-CB 3.39Å; V1104-A1108 PolarHBondContact O-N 3.31Å |
| 1105 | K | 84.6 | Confident | 84.5 | Confident | 46 Ų | 46 | 32.6 Ų | 32.6 | 20% | 0.2 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -53.7 | -30.9 | 172.6 | 67.5 | -169.2 | 175.9 | -157.6 | 0 | 113.8 | V961 Q964 E1077 Q1103 I1107 | V961-K1105 PolarHBondContact O-NZ 3.09Å; Q964-K1105 PolarHBondContact O-NZ 3.45Å; E1077-K1105 HydrophobicContact CB-CB 3.82Å; Q1103-K1105 HydrophobicContact CB-CG 4.04Å; Q1103-K1105 PolarHBondContact O-N 3.18Å; K1105-I1107 VanDerWaalsContact C-N 3.3Å; K1105-I1107 PolarHBondContact O-N 2.78Å |
| 1106 | D | 82.3 | Confident | 84.7 | Confident | 78 Ų | 78 | 29.9 Ų | 29.9 | 42% | 0.417 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -77.3 | -17.4 | -177.3 | -63.3 | -14 | 0 | 0 | 0 | 113.3 | Q1103 V1104 K1110 | Q1103-D1106 WeakPolarHBondContact O-CB 3.35Å; Q1103-D1106 PolarHBondContact O-N 3.47Å; Q1103-D1106 VanDerWaalsContact O-N 3.1Å; V1104-D1106 PolarHBondContact O-N 2.88Å; V1104-D1106 VanDerWaalsContact O-N 3.14Å; D1106-K1110 WeakPolarHBondContact O-CE 3.33Å; D1106-K1110 PolarHBondContact O-NZ 2.72Å |
| 1107 | I | 83.3 | Confident | 84.8 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -10.9 | -178.9 | 57.6 | 161.7 | 0 | 0 | 0 | 113.3 | Y976 V1000 I1002 L1102 V1104 K1105 N1109 K1110 | Y976-I1107 HydrophobicContact CD1-CG2 4.13Å; Y976-I1107 HydrophobicContact CE1-CG2 3.46Å; Y976-I1107 VanDerWaalsContact CE1-CG2 3.46Å; V1000-I1107 HydrophobicContact CB-CD1 3.91Å; V1000-I1107 HydrophobicContact CG1-CD1 3.5Å; V1000-I1107 VanDerWaalsContact CG1-CD1 3.5Å; I1002-I1107 HydrophobicContact CD1-CD1 4.08Å; I1002-I1107 HydrophobicContact CD1-CG1 4.03Å; L1102-I1107 HydrophobicContact CD1-CG2 4.35Å; L1102-I1107 HydrophobicContact CD2-CD1 4.02Å; V1104-I1107 VanDerWaalsContact O-CG1 3.29Å; V1104-I1107 WeakPolarHBondContact O-CG1 3.39Å; V1104-I1107 PolarHBondContact O-N 2.8Å; V1104-I1107 VanDerWaalsContact O-N 3.09Å; K1105-I1107 VanDerWaalsContact C-N 3.3Å; K1105-I1107 PolarHBondContact O-N 2.78Å; I1107-N1109 PolarHBondContact O-N 3.42Å; I1107-N1109 VanDerWaalsContact O-N 3.08Å; I1107-K1110 PolarHBondContact O-N 3.44Å |
| 1108 | A | 77.7 | Confident | 84.8 | Confident | 31 Ų | 31 | 29.8 Ų | 29.8 | 26% | 0.256 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -36.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1076 V1104 | P1076-A1108 HydrophobicContact CG-CB 4.43Å; V1104-A1108 WeakPolarHBondContact O-CB 3.39Å; V1104-A1108 PolarHBondContact O-N 3.31Å |
| 1109 | N | 73.1 | Confident | 84.9 | Confident | 160 Ų | 160 | 29.8 Ų | 29.8 | 86% | 0.856 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -3.1 | -179.7 | -65 | -19.8 | 0 | 0 | 0 | 114.5 | I1107 | I1107-N1109 PolarHBondContact O-N 3.42Å; I1107-N1109 VanDerWaalsContact O-N 3.08Å |
| 1110 | K | 71.4 | Confident | 84.7 | Confident | 102 Ų | 102 | 29.9 Ų | 29.9 | 44% | 0.443 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -106.2 | -3.5 | -170.3 | -59.1 | 179.9 | -177 | 166.1 | 0 | 114.2 | D1106 I1107 S1112 V1113 | D1106-K1110 WeakPolarHBondContact O-CE 3.33Å; D1106-K1110 PolarHBondContact O-NZ 2.72Å; I1107-K1110 PolarHBondContact O-N 3.44Å; K1110-S1112 PolarHBondContact O-N 3.49Å; K1110-V1113 HydrophobicContact CB-CG2 3.38Å; K1110-V1113 HydrophobicContact CD-CG2 4.06Å; K1110-V1113 HydrophobicContact CG-CG2 4.35Å |
| 1111 | G | 68 | Low | 84.5 | Confident | 35 Ų | 35 | 36.5 Ų | 36.5 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 70.6 | -87.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1001 I1002 | D1001-G1111 WeakPolarHBondContact CA-O 3.34Å; I1002-G1111 PolarHBondContact N-O 2.95Å; I1002-G1111 VanDerWaalsContact N-O 3.08Å |
| 1112 | S | 81.1 | Confident | 84.2 | Confident | 86 Ų | 86 | 42.2 Ų | 42.2 | 60% | 0.601 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.6 | 179.1 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | V1000 K1110 | V1000-S1112 WeakPolarHBondContact O-CA 3.09Å; K1110-S1112 PolarHBondContact O-N 3.49Å |
| 1113 | V | 86.7 | Confident | 84 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142 | -174.8 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | Y976 G999 V1000 K1110 | Y976-V1113 HydrophobicContact CD1-CG1 3.55Å; Y976-V1113 HydrophobicContact CG-CG1 4.06Å; G999-V1113 WeakPolarHBondContact CA-O 2.74Å; V1000-V1113 PolarHBondContact N-O 3.48Å; V1000-V1113 PolarHBondContact O-N 3.21Å; K1110-V1113 HydrophobicContact CB-CG2 3.38Å; K1110-V1113 HydrophobicContact CD-CG2 4.06Å; K1110-V1113 HydrophobicContact CG-CG2 4.35Å |
| 1114 | T | 88.3 | Confident | 83.7 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.8 | 166.3 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | Y976 T977 E980 V997 | Y976-T1114 WeakPolarHBondContact CA-O 3.32Å; T977-T1114 PolarHBondContact N-O 3.32Å; T977-T1114 PolarHBondContact O-N 2.71Å; T977-T1114 VanDerWaalsContact O-N 3.12Å; E980-T1114 HydrophobicContact CG-CG2 4.17Å; V997-T1114 HydrophobicContact CG1-CG2 3.86Å |
| 1115 | C | 89.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.1 | -179.1 | -54 | 0 | 0 | 0 | 0 | 110.7 | V997 M998 L1102 L1117 | V997-C1115 WeakPolarHBondContact CA-O 3.22Å; M998-C1115 PolarHBondContact N-O 2.98Å; M998-C1115 WeakPolarHBondContact O-CB 3.38Å; M998-C1115 PolarHBondContact O-N 3.49Å; L1102-C1115 HydrophobicContact CD2-CB 4.36Å; C1115-L1117 HydrophobicContact CB-CD2 4.15Å; C1115-L1117 HydrophobicContact CB-CG 4.22Å |
| 1116 | W | 90 | Very high | 83.2 | Confident | 24 Ų | 24 | 49 Ų | 49 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 109.2 | 171.2 | -59.6 | 75.1 | 0 | 0 | 0 | 108.1 | I974 R975 T977 P983 P984 E995 V997 P1118 | I974-W1116 WeakPolarHBondContact CA-O 3.39Å; R975-W1116 HydrophobicContact CB-CB 4.14Å; R975-W1116 PolarHBondContact N-O 3.02Å; R975-W1116 PolarHBondContact O-N 3.34Å; T977-W1116 PolarHBondContact OG1-NE1 3.39Å; P983-W1116 HydrophobicContact CB-CH2 4.49Å; P984-W1116 HydrophobicContact CG-CB 4.38Å; P984-W1116 HydrophobicContact CG-CD2 4.03Å; P984-W1116 HydrophobicContact CG-CG 3.82Å; E995-W1116 WeakPolarHBondContact OE1-CB 3.12Å; V997-W1116 HydrophobicContact CB-CE3 4.48Å; V997-W1116 HydrophobicContact CG1-CD2 4.19Å; V997-W1116 HydrophobicContact CG1-CE3 4.39Å; V997-W1116 HydrophobicContact CG1-CH2 4.39Å; V997-W1116 HydrophobicContact CG1-CZ2 4.2Å; V997-W1116 HydrophobicContact CG1-CZ3 4.49Å; V997-W1116 HydrophobicContact CG2-CD2 3.96Å; V997-W1116 HydrophobicContact CG2-CE3 3.37Å; V997-W1116 HydrophobicContact CG2-CH2 4.04Å; V997-W1116 HydrophobicContact CG2-CZ3 3.43Å; V997-W1116 VanDerWaalsContact CG2-CZ3 3.43Å; W1116-P1118 WeakPolarHBondContact O-CD 2.96Å |
| 1117 | L | 89.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 100.9 | -167 | -60.3 | 174 | 0 | 0 | 0 | 110.4 | I974 E995 V996 M998 V1083 A1100 L1102 C1115 L1119 | I974-L1117 HydrophobicContact CB-CD2 4.43Å; I974-L1117 HydrophobicContact CD1-CD2 3.89Å; I974-L1117 HydrophobicContact CG1-CD2 3.89Å; I974-L1117 HydrophobicContact CG2-CD2 3.78Å; E995-L1117 CarbonylContact C-O 3.57Å; E995-L1117 WeakPolarHBondContact CA-O 3.08Å; V996-L1117 HydrophobicContact CB-CB 4.48Å; V996-L1117 PolarHBondContact N-O 3.08Å; V996-L1117 WeakPolarHBondContact O-CB 3.29Å; V996-L1117 PolarHBondContact O-N 2.96Å; M998-L1117 HydrophobicContact CB-CD1 4.47Å; M998-L1117 HydrophobicContact CE-CD1 3.91Å; V1083-L1117 HydrophobicContact CB-CD1 4.49Å; V1083-L1117 HydrophobicContact CG2-CD1 3.88Å; A1100-L1117 HydrophobicContact CB-CB 3.8Å; L1102-L1117 HydrophobicContact CB-CD2 4.21Å; L1102-L1117 HydrophobicContact CD1-CD2 4.29Å; C1115-L1117 HydrophobicContact CB-CD2 4.15Å; C1115-L1117 HydrophobicContact CB-CG 4.22Å; L1117-L1119 PolarHBondContact O-N 3.04Å |
| 1118 | P | 89.6 | Confident | 82.3 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 128.9 | 174.6 | 27.1 | -34.1 | 0 | 0 | 0 | 110.5 | G973 V990 A992 W1116 | G973-P1118 VanDerWaalsContact O-CD 3.24Å; G973-P1118 WeakPolarHBondContact O-CD 3.25Å; G973-P1118 WeakPolarHBondContact O-CG 3.39Å; V990-P1118 HydrophobicContact CG1-CB 4.1Å; V990-P1118 HydrophobicContact CG1-CG 4.37Å; A992-P1118 HydrophobicContact CB-CB 3.76Å; W1116-P1118 WeakPolarHBondContact O-CD 2.96Å |
| 1119 | L | 89.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 130.2 | -179 | -60.4 | 174.1 | 0 | 0 | 0 | 110.6 | H969 A992 V993 G994 V996 L1022 V1085 M1099 A1100 L1117 | H969-L1119 PolarHBondContact NE2-O 3.22Å; A992-L1119 WeakPolarHBondContact CA-O 3.38Å; V993-L1119 HydrophobicContact CG2-CB 3.85Å; V993-L1119 WeakPolarHBondContact CG2-O 3.34Å; V993-L1119 PolarHBondContact N-O 2.94Å; G994-L1119 WeakPolarHBondContact O-CB 3.42Å; G994-L1119 PolarHBondContact O-N 2.81Å; V996-L1119 HydrophobicContact CG2-CD1 4.15Å; V996-L1119 HydrophobicContact CG2-CD2 3.85Å; V996-L1119 HydrophobicContact CG2-CG 4.26Å; L1022-L1119 HydrophobicContact CD2-CD1 3.56Å; V1085-L1119 HydrophobicContact CB-CD1 4.08Å; V1085-L1119 HydrophobicContact CG2-CD1 3.5Å; V1085-L1119 HydrophobicContact CG2-CD2 3.97Å; V1085-L1119 HydrophobicContact CG2-CG 4.38Å; M1099-L1119 WeakPolarHBondContact O-CA 3.33Å; A1100-L1119 HydrophobicContact CB-CD2 4.1Å; L1117-L1119 PolarHBondContact O-N 3.04Å |
| 1120 | G | 87.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -99 | 170.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1098 M1099 | G1098-G1120 WeakPolarHBondContact CA-O 3.49Å; M1099-G1120 PolarHBondContact N-O 2.84Å; M1099-G1120 PolarHBondContact O-N 2.64Å |
| 1121 | R | 86.3 | Confident | 82.5 | Confident | 142 Ų | 142 | 45.2 Ų | 45.2 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -83.2 | -23.2 | 178.9 | -57.1 | -172 | -167.9 | -174.5 | 7.3 | 113.2 | D991 V993 R1156 | D991-R1121 IonicContact OD2-NH2 2.9Å; V993-R1121 HydrophobicContact CG1-CG 3.72Å; R1121-R1156 HydrophobicContact CB-CB 4.09Å; R1121-R1156 VanDerWaalsContact O-CB 3.29Å; R1121-R1156 WeakPolarHBondContact O-CB 3.38Å; R1121-R1156 PolarHBondContact O-N 3.08Å |
| 1122 | R | 85.5 | Confident | 83.1 | Confident | 130 Ų | 130 | 43.6 Ų | 43.6 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -154.9 | 163.3 | 179.3 | 65.6 | 179 | 179.7 | -178.7 | -0.9 | 110.9 | H1124 Q1155 | R1122-H1124 PolarHBondContact NE-CE1 2.85Å; R1122-H1124 PolarHBondContact NE-NE2 2.85Å; R1122-H1124 PolarHBondContact NH2-CE1 2.62Å; R1122-H1124 VanDerWaalsContact NH2-CE1 3.34Å; R1122-Q1155 HydrophobicContact CB-CB 4.03Å |
| 1123 | V | 84.8 | Confident | 83 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | trans | -85.9 | 127.6 | 167 | -177.1 | 0 | 0 | 0 | 0 | 109 | Q967 M1099 V1101 M1125 K1152 | Q967-V1123 HydrophobicContact CB-CG1 3.96Å; Q967-V1123 HydrophobicContact CG-CG1 4.24Å; Q967-V1123 CarbonylContact O-C 3.32Å; M1099-V1123 HydrophobicContact CE-CG2 3.67Å; V1101-V1123 HydrophobicContact CG2-CG2 4.13Å; V1123-M1125 HydrophobicContact CB-CE 4.46Å; V1123-M1125 HydrophobicContact CG1-CE 4.2Å; V1123-M1125 HydrophobicContact CG1-CG 4.49Å; V1123-K1152 HydrophobicContact CG1-CD 4.32Å | ||
| 1124 | H | 81.3 | Confident | 82.4 | Confident | 87 Ų | 87 | 42.4 Ų | 42.4 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | trans | -93.4 | 148 | 170.5 | -69.3 | -98.3 | 0 | 0 | 0 | 110.1 | Q967 R1122 | Q967-H1124 VanDerWaalsContact CA-O 3.29Å; Q967-H1124 WeakPolarHBondContact CA-O 3.32Å; Q967-H1124 WeakPolarHBondContact CG-O 3.28Å; Q967-H1124 PolarHBondContact O-N 3.37Å; R1122-H1124 PolarHBondContact NE-CE1 2.85Å; R1122-H1124 PolarHBondContact NE-NE2 2.85Å; R1122-H1124 PolarHBondContact NH2-CE1 2.62Å; R1122-H1124 VanDerWaalsContact NH2-CE1 3.34Å | ||
| 1125 | M | 82.3 | Confident | 81.7 | Confident | 36 Ų | 36 | 42 Ų | 42 | 18% | 0.177 | 19% | 0.192 | C | C | . | . | trans | -137.2 | 150.1 | -179.8 | -61.6 | 170 | -138.5 | 0 | 0 | 109.4 | F960 Q964 V1123 L1130 L1133 K1152 | F960-M1125 HydrophobicContact CE2-CG 4.1Å; F960-M1125 HydrophobicContact CE2-SD 3.63Å; F960-M1125 HydrophobicContact CZ-CG 3.98Å; F960-M1125 HydrophobicContact CZ-SD 3.78Å; Q964-M1125 VanDerWaalsContact OE1-CA 3.3Å; V1123-M1125 HydrophobicContact CB-CE 4.46Å; V1123-M1125 HydrophobicContact CG1-CE 4.2Å; V1123-M1125 HydrophobicContact CG1-CG 4.49Å; M1125-L1130 HydrophobicContact CB-CD2 4.35Å; M1125-L1130 HydrophobicContact CB-CG 4.23Å; M1125-L1133 HydrophobicContact CE-CD2 3.97Å; M1125-L1133 HydrophobicContact SD-CD2 3.86Å; M1125-K1152 HydrophobicContact CE-CB 3.63Å; M1125-K1152 HydrophobicContact CE-CD 4.32Å; M1125-K1152 HydrophobicContact CE-CG 4.42Å; M1125-K1152 WeakPolarHBondContact CE-O 3.36Å | ||
| 1126 | D | 79.9 | Confident | 81.1 | Confident | 62 Ų | 62 | 42 Ų | 42 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | trans | -77.1 | 177 | 169.9 | 66.2 | 30.2 | 0 | 0 | 0 | 112 | Q964 T1128 G1129 L1130 | Q964-D1126 PolarHBondContact NE2-OD1 2.93Å; Q964-D1126 PolarHBondContact NE2-OD2 3.4Å; Q964-D1126 VanDerWaalsContact NE2-OD2 3.1Å; D1126-T1128 VanDerWaalsContact C-N 3.26Å; D1126-T1128 PolarHBondContact O-N 2.83Å; D1126-T1128 WeakPolarHBondContact OD1-CA 3.24Å; D1126-T1128 WeakPolarHBondContact OD1-CB 3.24Å; D1126-T1128 PolarHBondContact OD1-N 2.87Å; D1126-G1129 PolarHBondContact O-N 2.79Å; D1126-G1129 VanDerWaalsContact O-N 3.15Å; D1126-G1129 PolarHBondContact OD1-N 2.94Å; D1126-L1130 WeakPolarHBondContact O-CG 3.44Å; D1126-L1130 PolarHBondContact O-N 2.83Å | ||
| 1127 | E | 68.8 | Low | 80.4 | Confident | 165 Ų | 165 | 42.8 Ų | 42.8 | 77% | 0.771 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -59.4 | -34.4 | -179.4 | -70 | -175.7 | 162.9 | 0 | 0 | 113.2 | T1131 | E1127-T1131 WeakPolarHBondContact O-CB 3.37Å; E1127-T1131 PolarHBondContact O-N 3.01Å; E1127-T1131 PolarHBondContact O-OG1 3.44Å |
| 1128 | T | 76 | Confident | 79.5 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 25% | 0.245 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.5 | -43.2 | 176.6 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | D1126 T1131 V1132 | D1126-T1128 VanDerWaalsContact C-N 3.26Å; D1126-T1128 PolarHBondContact O-N 2.83Å; D1126-T1128 WeakPolarHBondContact OD1-CA 3.24Å; D1126-T1128 WeakPolarHBondContact OD1-CB 3.24Å; D1126-T1128 PolarHBondContact OD1-N 2.87Å; T1128-T1131 PolarHBondContact O-N 3.06Å; T1128-V1132 HydrophobicContact CG2-CG2 4.49Å; T1128-V1132 WeakPolarHBondContact O-CB 3.41Å; T1128-V1132 WeakPolarHBondContact O-CG2 3.5Å; T1128-V1132 PolarHBondContact O-N 2.88Å |
| 1129 | G | 77.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1126 V1132 L1133 | D1126-G1129 PolarHBondContact O-N 2.79Å; D1126-G1129 VanDerWaalsContact O-N 3.15Å; D1126-G1129 PolarHBondContact OD1-N 2.94Å; G1129-V1132 PolarHBondContact O-N 3.03Å; G1129-L1133 VanDerWaalsContact O-CB 3.27Å; G1129-L1133 WeakPolarHBondContact O-CB 3.42Å; G1129-L1133 PolarHBondContact O-N 3.08Å |
| 1130 | L | 76.1 | Confident | 77.8 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.6 | -71.4 | 172.2 | 0 | 0 | 0 | 112 | M1125 D1126 L1133 R1134 | M1125-L1130 HydrophobicContact CB-CD2 4.35Å; M1125-L1130 HydrophobicContact CB-CG 4.23Å; D1126-L1130 WeakPolarHBondContact O-CG 3.44Å; D1126-L1130 PolarHBondContact O-N 2.83Å; L1130-L1133 PolarHBondContact O-N 3.39Å; L1130-R1134 WeakPolarHBondContact O-CB 3.32Å; L1130-R1134 VanDerWaalsContact O-CG 3.26Å; L1130-R1134 WeakPolarHBondContact O-CG 3.37Å; L1130-R1134 PolarHBondContact O-N 3.01Å |
| 1131 | T | 73.7 | Confident | 77 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 15% | 0.153 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 178.5 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | L865 L948 E1127 T1128 R1134 I1135 | L865-T1131 HydrophobicContact CD2-CG2 4Å; L948-T1131 HydrophobicContact CD1-CG2 3.62Å; E1127-T1131 WeakPolarHBondContact O-CB 3.37Å; E1127-T1131 PolarHBondContact O-N 3.01Å; E1127-T1131 PolarHBondContact O-OG1 3.44Å; T1128-T1131 PolarHBondContact O-N 3.06Å; T1131-R1134 PolarHBondContact O-N 2.98Å; T1131-I1135 HydrophobicContact CG2-CD1 4.13Å; T1131-I1135 WeakPolarHBondContact O-CG1 3.34Å; T1131-I1135 PolarHBondContact O-N 3.03Å |
| 1132 | V | 80 | Confident | 76.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.3 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L956 F960 T1128 G1129 R1134 I1135 L1136 | L956-V1132 HydrophobicContact CB-CG1 4Å; L956-V1132 HydrophobicContact CD2-CG2 4.44Å; F960-V1132 HydrophobicContact CB-CG1 4.04Å; F960-V1132 HydrophobicContact CD2-CB 4.38Å; F960-V1132 HydrophobicContact CD2-CG1 4.33Å; T1128-V1132 HydrophobicContact CG2-CG2 4.49Å; T1128-V1132 WeakPolarHBondContact O-CB 3.41Å; T1128-V1132 WeakPolarHBondContact O-CG2 3.5Å; T1128-V1132 PolarHBondContact O-N 2.88Å; G1129-V1132 PolarHBondContact O-N 3.03Å; V1132-R1134 VanDerWaalsContact C-N 3.33Å; V1132-R1134 PolarHBondContact O-N 3.38Å; V1132-I1135 PolarHBondContact O-N 3.16Å; V1132-L1136 HydrophobicContact CG1-CD1 3.81Å; V1132-L1136 HydrophobicContact CG1-CG 4.21Å; V1132-L1136 WeakPolarHBondContact O-CB 3.4Å; V1132-L1136 WeakPolarHBondContact O-CG 3.28Å; V1132-L1136 PolarHBondContact O-N 2.9Å |
| 1133 | L | 78.6 | Confident | 76.2 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.5 | -167.6 | 75.3 | 0 | 0 | 0 | 111.7 | M1125 G1129 L1130 L1136 S1137 F1148 V1149 K1152 | M1125-L1133 HydrophobicContact CE-CD2 3.97Å; M1125-L1133 HydrophobicContact SD-CD2 3.86Å; G1129-L1133 VanDerWaalsContact O-CB 3.27Å; G1129-L1133 WeakPolarHBondContact O-CB 3.42Å; G1129-L1133 PolarHBondContact O-N 3.08Å; L1130-L1133 PolarHBondContact O-N 3.39Å; L1133-L1136 PolarHBondContact O-N 3.45Å; L1133-S1137 WeakPolarHBondContact O-CB 3.19Å; L1133-S1137 PolarHBondContact O-N 3.44Å; L1133-F1148 HydrophobicContact CD1-CD1 4.11Å; L1133-F1148 HydrophobicContact CD1-CE1 3.81Å; L1133-V1149 HydrophobicContact CD1-CB 4.42Å; L1133-V1149 HydrophobicContact CD1-CG2 4.1Å; L1133-K1152 HydrophobicContact CD1-CB 3.72Å; L1133-K1152 HydrophobicContact CD1-CG 4.45Å |
| 1134 | R | 74.2 | Confident | 76 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 175.6 | -74.3 | 176.7 | -167.5 | -176.6 | 6.4 | 112.7 | P866 L868 L1130 T1131 V1132 S1137 | P866-R1134 HydrophobicContact CB-CB 4.4Å; P866-R1134 HydrophobicContact CG-CB 4.03Å; L868-R1134 HydrophobicContact CD1-CG 4.43Å; L868-R1134 VanDerWaalsContact CD1-NE 3.3Å; L868-R1134 HydrophobicContact CD2-CG 4.11Å; L868-R1134 HydrophobicContact CG-CG 4.04Å; L1130-R1134 WeakPolarHBondContact O-CB 3.32Å; L1130-R1134 VanDerWaalsContact O-CG 3.26Å; L1130-R1134 WeakPolarHBondContact O-CG 3.37Å; L1130-R1134 PolarHBondContact O-N 3.01Å; T1131-R1134 PolarHBondContact O-N 2.98Å; V1132-R1134 VanDerWaalsContact C-N 3.33Å; V1132-R1134 PolarHBondContact O-N 3.38Å; R1134-S1137 PolarHBondContact O-OG 3.21Å |
| 1135 | I | 74.4 | Confident | 75.9 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.2 | -41.8 | 178.5 | -68 | 170.4 | 0 | 0 | 0 | 110.5 | L948 Y949 L956 T1131 V1132 S1137 Q1138 | L948-I1135 HydrophobicContact CB-CD1 3.27Å; L948-I1135 HydrophobicContact CD1-CD1 3.94Å; L948-I1135 HydrophobicContact CG-CD1 4.25Å; Y949-I1135 HydrophobicContact CD2-CD1 4.37Å; Y949-I1135 HydrophobicContact CE1-CG1 4.41Å; Y949-I1135 HydrophobicContact CE2-CD1 4.3Å; Y949-I1135 HydrophobicContact CE2-CG1 4.33Å; L956-I1135 HydrophobicContact CD1-CG2 3.9Å; T1131-I1135 HydrophobicContact CG2-CD1 4.13Å; T1131-I1135 WeakPolarHBondContact O-CG1 3.34Å; T1131-I1135 PolarHBondContact O-N 3.03Å; V1132-I1135 PolarHBondContact O-N 3.16Å; I1135-S1137 VanDerWaalsContact C-N 3.34Å; I1135-S1137 PolarHBondContact O-N 3.14Å; I1135-Q1138 PolarHBondContact O-N 3.33Å |
| 1136 | L | 77.2 | Confident | 75.8 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.7 | -31.6 | 177.5 | -70.2 | 179.4 | 0 | 0 | 0 | 112.5 | T953 L956 I957 V1132 L1133 Q1138 R1139 A1145 F1148 V1149 | T953-L1136 HydrophobicContact CG2-CD2 3.87Å; L956-L1136 HydrophobicContact CB-CD1 4.41Å; L956-L1136 HydrophobicContact CB-CD2 4.08Å; L956-L1136 HydrophobicContact CB-CG 4.37Å; L956-L1136 HydrophobicContact CD1-CD2 3.74Å; L956-L1136 HydrophobicContact CD1-CG 4.28Å; I957-L1136 HydrophobicContact CG1-CD1 3.83Å; V1132-L1136 HydrophobicContact CG1-CD1 3.81Å; V1132-L1136 HydrophobicContact CG1-CG 4.21Å; V1132-L1136 WeakPolarHBondContact O-CB 3.4Å; V1132-L1136 WeakPolarHBondContact O-CG 3.28Å; V1132-L1136 PolarHBondContact O-N 2.9Å; L1133-L1136 PolarHBondContact O-N 3.45Å; L1136-Q1138 PolarHBondContact O-N 2.85Å; L1136-R1139 WeakPolarHBondContact O-CB 3.23Å; L1136-R1139 PolarHBondContact O-N 3.35Å; L1136-A1145 HydrophobicContact CB-CB 4.37Å; L1136-A1145 HydrophobicContact CD2-CB 4.21Å; L1136-F1148 HydrophobicContact CD1-CD1 3.67Å; L1136-F1148 HydrophobicContact CD1-CE1 3.78Å; L1136-F1148 HydrophobicContact CD1-CG 4.49Å; L1136-V1149 HydrophobicContact CB-CG2 3.92Å |
| 1137 | S | 74.4 | Confident | 75.8 | Confident | 40 Ų | 40 | 51 Ų | 51 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.5 | 176.9 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | L1133 R1134 I1135 N1140 | L1133-S1137 WeakPolarHBondContact O-CB 3.19Å; L1133-S1137 PolarHBondContact O-N 3.44Å; R1134-S1137 PolarHBondContact O-OG 3.21Å; I1135-S1137 VanDerWaalsContact C-N 3.34Å; I1135-S1137 PolarHBondContact O-N 3.14Å; S1137-N1140 PolarHBondContact O-OD1 2.76Å |
| 1138 | Q | 71 | Confident | 76.6 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -3.3 | 175 | -51.9 | -52.9 | -13.4 | 0 | 0 | 113.3 | P866 A899 A901 I1135 L1136 N1140 | P866-Q1138 HydrophobicContact CB-CG 4.3Å; P866-Q1138 HydrophobicContact CG-CG 4.27Å; A899-Q1138 VanDerWaalsContact O-CD 3.28Å; A899-Q1138 PolarHBondContact O-OE1 2.97Å; A901-Q1138 HydrophobicContact CB-CB 4.11Å; I1135-Q1138 PolarHBondContact O-N 3.33Å; L1136-Q1138 PolarHBondContact O-N 2.85Å; Q1138-N1140 VanDerWaalsContact C-N 3.31Å; Q1138-N1140 PolarHBondContact O-N 3.12Å |
| 1139 | R | 77.1 | Confident | 77 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | trans | -90.5 | 61.4 | 178 | -61.5 | -172.8 | -177.9 | -169.2 | -4.3 | 111.4 | Q951 T953 L1136 N1141 D1142 A1145 | Q951-R1139 VanDerWaalsContact O-CZ 3.26Å; Q951-R1139 PolarHBondContact O-NH1 3.17Å; Q951-R1139 PolarHBondContact O-NH2 3.02Å; T953-R1139 VanDerWaalsContact CA-NH1 3.33Å; T953-R1139 PolarHBondContact OG1-NH1 2.99Å; L1136-R1139 WeakPolarHBondContact O-CB 3.23Å; L1136-R1139 PolarHBondContact O-N 3.35Å; R1139-N1141 PolarHBondContact O-N 2.94Å; R1139-D1142 HydrophobicContact CB-CB 4.14Å; R1139-D1142 PolarHBondContact O-N 2.89Å; R1139-A1145 HydrophobicContact CB-CB 3.94Å | ||
| 1140 | N | 66.3 | Low | 77.2 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 33% | 0.326 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -4.5 | -178.9 | -69.3 | -15 | 0 | 0 | 0 | 114.9 | E898 S1137 Q1138 K1146 | E898-N1140 PolarHBondContact OE2-ND2 3.16Å; S1137-N1140 PolarHBondContact O-OD1 2.76Å; Q1138-N1140 VanDerWaalsContact C-N 3.31Å; Q1138-N1140 PolarHBondContact O-N 3.12Å; N1140-K1146 VanDerWaalsContact C-CE 3.43Å; N1140-K1146 WeakPolarHBondContact O-CE 3.3Å; N1140-K1146 PolarHBondContact O-NZ 2.72Å |
| 1141 | N | 70.7 | Confident | 77.6 | Confident | 165 Ų | 165 | 47.7 Ų | 47.7 | 88% | 0.882 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -0.7 | 175.5 | -64.2 | -20.9 | 0 | 0 | 0 | 113 | R1139 | R1139-N1141 PolarHBondContact O-N 2.94Š|
| 1142 | D | 79 | Confident | 78.2 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | trans | -112.1 | 108.8 | -178.7 | -175.9 | -27.2 | 0 | 0 | 0 | 109.8 | T953 R1139 V1144 A1145 K1146 | T953-D1142 WeakPolarHBondContact CB-OD2 3.19Å; T953-D1142 VanDerWaalsContact CG2-OD2 3.29Å; T953-D1142 WeakPolarHBondContact CG2-OD2 3.34Å; T953-D1142 PolarHBondContact OG1-OD2 2.97Å; R1139-D1142 HydrophobicContact CB-CB 4.14Å; R1139-D1142 PolarHBondContact O-N 2.89Å; D1142-V1144 VanDerWaalsContact C-N 3.25Å; D1142-V1144 PolarHBondContact O-N 3.17Å; D1142-V1144 WeakPolarHBondContact OD1-CA 3.21Å; D1142-V1144 VanDerWaalsContact OD1-CB 3.28Å; D1142-V1144 WeakPolarHBondContact OD1-CB 3.25Å; D1142-V1144 PolarHBondContact OD1-N 2.98Å; D1142-A1145 HydrophobicContact CB-CB 3.86Å; D1142-A1145 PolarHBondContact O-N 2.71Å; D1142-A1145 PolarHBondContact OD1-N 3.31Å; D1142-A1145 VanDerWaalsContact OD1-N 3.1Å; D1142-K1146 PolarHBondContact O-N 3.28Å | ||
| 1143 | D | 76.8 | Confident | 78.3 | Confident | 113 Ų | 113 | 49.4 Ų | 49.4 | 60% | 0.604 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.5 | -26.3 | -177 | -67 | -30.5 | 0 | 0 | 0 | 112.7 | K1146 E1147 | D1143-K1146 IonicContact OD1-NZ 3.84Å; D1143-K1146 PolarHBondContact OD1-NZ 3.46Å; D1143-E1147 WeakPolarHBondContact O-CB 3.35Å; D1143-E1147 PolarHBondContact O-N 2.88Å |
| 1144 | V | 80.2 | Confident | 78.4 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.7 | -44.7 | 173.5 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | I957 D1142 F1148 | I957-V1144 HydrophobicContact CD1-CG1 3.7Å; D1142-V1144 VanDerWaalsContact C-N 3.25Å; D1142-V1144 PolarHBondContact O-N 3.17Å; D1142-V1144 WeakPolarHBondContact OD1-CA 3.21Å; D1142-V1144 VanDerWaalsContact OD1-CB 3.28Å; D1142-V1144 WeakPolarHBondContact OD1-CB 3.25Å; D1142-V1144 PolarHBondContact OD1-N 2.98Å; V1144-F1148 VanDerWaalsContact O-CB 3.24Å; V1144-F1148 WeakPolarHBondContact O-CB 3.45Å; V1144-F1148 PolarHBondContact O-N 3.44Å |
| 1145 | A | 79.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T953 L1136 R1139 D1142 F1148 V1149 | T953-A1145 HydrophobicContact CG2-CB 4.06Å; L1136-A1145 HydrophobicContact CB-CB 4.37Å; L1136-A1145 HydrophobicContact CD2-CB 4.21Å; R1139-A1145 HydrophobicContact CB-CB 3.94Å; D1142-A1145 HydrophobicContact CB-CB 3.86Å; D1142-A1145 PolarHBondContact O-N 2.71Å; D1142-A1145 PolarHBondContact OD1-N 3.31Å; D1142-A1145 VanDerWaalsContact OD1-N 3.1Å; A1145-F1148 PolarHBondContact O-N 3.45Å; A1145-V1149 WeakPolarHBondContact O-CB 3.5Å; A1145-V1149 WeakPolarHBondContact O-CG2 3.36Å; A1145-V1149 PolarHBondContact O-N 3.39Å |
| 1146 | K | 79.3 | Confident | 79.2 | Confident | 92 Ų | 92 | 54.3 Ų | 54.3 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 176.4 | -76.1 | 176.7 | -176.5 | 155.5 | 0 | 113 | N1140 D1142 D1143 V1149 K1150 | N1140-K1146 VanDerWaalsContact C-CE 3.43Å; N1140-K1146 WeakPolarHBondContact O-CE 3.3Å; N1140-K1146 PolarHBondContact O-NZ 2.72Å; D1142-K1146 PolarHBondContact O-N 3.28Å; D1143-K1146 IonicContact OD1-NZ 3.84Å; D1143-K1146 PolarHBondContact OD1-NZ 3.46Å; K1146-V1149 PolarHBondContact O-N 2.65Å; K1146-K1150 WeakPolarHBondContact O-CB 3.32Å; K1146-K1150 PolarHBondContact O-N 3.01Å |
| 1147 | E | 80.9 | Confident | 79 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 32% | 0.318 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | -179.6 | -172.3 | 176.9 | 171.4 | 0 | 0 | 110.7 | R1047 D1143 V1149 K1150 L1151 | R1047-E1147 IonicContact CZ-OE2 2.89Å; R1047-E1147 VanDerWaalsContact CZ-OE2 3.3Å; R1047-E1147 IonicContact NE-OE2 3.94Å; R1047-E1147 IonicContact NH2-OE2 2.72Å; R1047-E1147 PolarHBondContact NH2-OE2 3.44Å; D1143-E1147 WeakPolarHBondContact O-CB 3.35Å; D1143-E1147 PolarHBondContact O-N 2.88Å; E1147-V1149 PolarHBondContact O-N 3.41Å; E1147-K1150 PolarHBondContact O-N 2.79Å; E1147-L1151 VanDerWaalsContact O-CB 3.24Å; E1147-L1151 WeakPolarHBondContact O-CB 3.23Å; E1147-L1151 PolarHBondContact O-N 3.16Å |
| 1148 | F | 86.1 | Confident | 78.2 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 4% | 0.044 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 175.6 | 179.3 | -91.4 | 0 | 0 | 0 | 111.9 | I957 F960 I1038 L1133 L1136 V1144 A1145 L1151 K1152 | I957-F1148 HydrophobicContact CD1-CB 4.45Å; I957-F1148 HydrophobicContact CD1-CD2 4.33Å; I957-F1148 HydrophobicContact CD1-CG 4.37Å; I957-F1148 HydrophobicContact CG1-CD2 4.22Å; I957-F1148 HydrophobicContact CG1-CE2 4.4Å; I957-F1148 HydrophobicContact CG1-CG 4.36Å; I957-F1148 HydrophobicContact CG2-CD2 4.35Å; I957-F1148 HydrophobicContact CG2-CE2 4.19Å; F960-F1148 HydrophobicContact CB-CZ 4.24Å; F960-F1148 HydrophobicContact CD1-CE2 4.07Å; F960-F1148 AromaticContact CD1-CZ 3.56Å; F960-F1148 HydrophobicContact CD1-CZ 3.56Å; F960-F1148 HydrophobicContact CD2-CE1 4.33Å; F960-F1148 AromaticContact CD2-CZ 3.85Å; F960-F1148 HydrophobicContact CD2-CZ 3.85Å; F960-F1148 HydrophobicContact CE1-CE2 4.26Å; F960-F1148 AromaticContact CE1-CZ 3.74Å; F960-F1148 HydrophobicContact CE1-CZ 3.74Å; F960-F1148 HydrophobicContact CE2-CE1 4.46Å; F960-F1148 HydrophobicContact CE2-CZ 4.03Å; F960-F1148 HydrophobicContact CG-CE1 4.46Å; F960-F1148 HydrophobicContact CG-CE2 4.47Å; F960-F1148 AromaticContact CG-CZ 3.62Å; F960-F1148 HydrophobicContact CG-CZ 3.62Å; F960-F1148 AromaticContact CZ-CZ 3.98Å; F960-F1148 HydrophobicContact CZ-CZ 3.98Å; I1038-F1148 HydrophobicContact CG2-CD2 3.68Å; I1038-F1148 HydrophobicContact CG2-CE2 3.58Å; L1133-F1148 HydrophobicContact CD1-CD1 4.11Å; L1133-F1148 HydrophobicContact CD1-CE1 3.81Å; L1136-F1148 HydrophobicContact CD1-CD1 3.67Å; L1136-F1148 HydrophobicContact CD1-CE1 3.78Å; L1136-F1148 HydrophobicContact CD1-CG 4.49Å; V1144-F1148 VanDerWaalsContact O-CB 3.24Å; V1144-F1148 WeakPolarHBondContact O-CB 3.45Å; V1144-F1148 PolarHBondContact O-N 3.44Å; A1145-F1148 PolarHBondContact O-N 3.45Å; F1148-L1151 PolarHBondContact O-N 3.4Å; F1148-K1152 HydrophobicContact CD1-CG 4.49Å; F1148-K1152 HydrophobicContact CD2-CG 4.48Å; F1148-K1152 HydrophobicContact CE1-CG 4.14Å; F1148-K1152 HydrophobicContact CE2-CG 4.14Å; F1148-K1152 HydrophobicContact CZ-CG 3.95Å; F1148-K1152 WeakPolarHBondContact O-CB 3.33Å; F1148-K1152 WeakPolarHBondContact O-CG 3.36Å; F1148-K1152 PolarHBondContact O-N 2.73Å |
| 1149 | V | 82.9 | Confident | 77.5 | Confident | 24 Ų | 24 | 66.4 Ų | 66.4 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 179.6 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L1133 L1136 A1145 K1146 E1147 L1151 S1153 | L1133-V1149 HydrophobicContact CD1-CB 4.42Å; L1133-V1149 HydrophobicContact CD1-CG2 4.1Å; L1136-V1149 HydrophobicContact CB-CG2 3.92Å; A1145-V1149 WeakPolarHBondContact O-CB 3.5Å; A1145-V1149 WeakPolarHBondContact O-CG2 3.36Å; A1145-V1149 PolarHBondContact O-N 3.39Å; K1146-V1149 PolarHBondContact O-N 2.65Å; E1147-V1149 PolarHBondContact O-N 3.41Å; V1149-L1151 PolarHBondContact O-N 3.38Å; V1149-S1153 WeakPolarHBondContact O-CB 3.44Å; V1149-S1153 PolarHBondContact O-N 2.96Å; V1149-S1153 PolarHBondContact O-OG 3.33Å |
| 1150 | K | 82.6 | Confident | 76.6 | Confident | 152 Ų | 152 | 68.7 Ų | 68.7 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.1 | -46.1 | 176.6 | -174.8 | 177.6 | -178.6 | 175.8 | 0 | 111.4 | K1146 E1147 S1153 D1154 | K1146-K1150 WeakPolarHBondContact O-CB 3.32Å; K1146-K1150 PolarHBondContact O-N 3.01Å; E1147-K1150 PolarHBondContact O-N 2.79Å; K1150-S1153 PolarHBondContact O-N 3.43Å; K1150-D1154 PolarHBondContact O-N 2.86Å |
| 1151 | L | 84.6 | Confident | 75.9 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | -176.9 | -177.2 | 62.9 | 0 | 0 | 0 | 112.7 | Y1036 I1038 Q1082 E1147 F1148 V1149 | Y1036-L1151 HydrophobicContact CD1-CD1 4.17Å; Y1036-L1151 HydrophobicContact CD1-CD2 3.91Å; Y1036-L1151 HydrophobicContact CD2-CD1 3.79Å; Y1036-L1151 HydrophobicContact CD2-CD2 4.44Å; Y1036-L1151 HydrophobicContact CE1-CD1 4.22Å; Y1036-L1151 HydrophobicContact CE2-CD1 3.86Å; Y1036-L1151 HydrophobicContact CG-CD1 3.96Å; Y1036-L1151 HydrophobicContact CG-CD2 3.81Å; I1038-L1151 HydrophobicContact CD1-CD2 3.47Å; I1038-L1151 VanDerWaalsContact CD1-CD2 3.47Å; I1038-L1151 HydrophobicContact CD1-CG 4.37Å; I1038-L1151 HydrophobicContact CG1-CD2 3.88Å; Q1082-L1151 HydrophobicContact CG-CD1 4.45Å; Q1082-L1151 PolarHBondContact NE2-O 3.05Å; E1147-L1151 VanDerWaalsContact O-CB 3.24Å; E1147-L1151 WeakPolarHBondContact O-CB 3.23Å; E1147-L1151 PolarHBondContact O-N 3.16Å; F1148-L1151 PolarHBondContact O-N 3.4Å; V1149-L1151 PolarHBondContact O-N 3.38Å |
| 1152 | K | 86.6 | Confident | 74.3 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.017 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -80.5 | -22.5 | 179.4 | -71.9 | -59.6 | 180 | -164.7 | 0 | 113.8 | F960 E1080 V1123 M1125 L1133 F1148 | F960-K1152 HydrophobicContact CE1-CD 4.24Å; F960-K1152 HydrophobicContact CZ-CD 4.05Å; F960-K1152 HydrophobicContact CZ-CG 4.29Å; E1080-K1152 WeakPolarHBondContact OE1-CE 3.23Å; E1080-K1152 IonicContact OE1-NZ 2.86Å; E1080-K1152 PolarHBondContact OE1-NZ 2.89Å; V1123-K1152 HydrophobicContact CG1-CD 4.32Å; M1125-K1152 HydrophobicContact CE-CB 3.63Å; M1125-K1152 HydrophobicContact CE-CD 4.32Å; M1125-K1152 HydrophobicContact CE-CG 4.42Å; M1125-K1152 WeakPolarHBondContact CE-O 3.36Å; L1133-K1152 HydrophobicContact CD1-CB 3.72Å; L1133-K1152 HydrophobicContact CD1-CG 4.45Å; F1148-K1152 HydrophobicContact CD1-CG 4.49Å; F1148-K1152 HydrophobicContact CD2-CG 4.48Å; F1148-K1152 HydrophobicContact CE1-CG 4.14Å; F1148-K1152 HydrophobicContact CE2-CG 4.14Å; F1148-K1152 HydrophobicContact CZ-CG 3.95Å; F1148-K1152 WeakPolarHBondContact O-CB 3.33Å; F1148-K1152 WeakPolarHBondContact O-CG 3.36Å; F1148-K1152 PolarHBondContact O-N 2.73Å |
| 1153 | S | 81.7 | Confident | 72.1 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -90.5 | -4.8 | 175.2 | -49.8 | 0 | 0 | 0 | 0 | 113.6 | V1149 K1150 | V1149-S1153 WeakPolarHBondContact O-CB 3.44Å; V1149-S1153 PolarHBondContact O-N 2.96Å; V1149-S1153 PolarHBondContact O-OG 3.33Å; K1150-S1153 PolarHBondContact O-N 3.43Å |
| 1154 | D | 81.4 | Confident | 71.9 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 21% | 0.209 | 41% | 0.41 | C | S | . | . | trans | -64.3 | 141 | 178 | -163.4 | -1.9 | 0 | 0 | 0 | 110.8 | K1086 T1096 M1099 K1150 | K1086-D1154 IonicContact NZ-OD2 3.03Å; T1096-D1154 PolarHBondContact OG1-OD1 3.49Å; T1096-D1154 PolarHBondContact OG1-OD2 2.96Å; T1096-D1154 VanDerWaalsContact OG1-OD2 3.08Å; M1099-D1154 WeakPolarHBondContact CE-O 3.37Å; M1099-D1154 HydrophobicContact SD-CB 4.12Å; K1150-D1154 PolarHBondContact O-N 2.86Å | ||
| 1155 | Q | 81.7 | Confident | 71.5 | Confident | 109 Ų | 109 | 78.6 Ų | 78.6 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -151.5 | 151.8 | 179.7 | 63.3 | 176.4 | -3.2 | 0 | 0 | 111.6 | R1122 S1157 | R1122-Q1155 HydrophobicContact CB-CB 4.03Å; Q1155-S1157 PolarHBondContact O-N 3.29Å |
| 1156 | R | 83.3 | Confident | 71 | Confident | 38 Ų | 38 | 83 Ų | 83 | 14% | 0.143 | 45% | 0.448 | C | S | . | . | trans | -67.2 | 125.6 | 171.5 | -176.4 | -172.2 | 171.1 | 135.8 | -7.7 | 109.8 | K1023 W1024 T1096 V1097 R1121 | K1023-R1156 VanDerWaalsContact O-CZ 3.31Å; K1023-R1156 PolarHBondContact O-NH1 3.25Å; K1023-R1156 PolarHBondContact O-NH2 2.99Å; W1024-R1156 HydrophobicContact CZ3-CG 3.87Å; T1096-R1156 WeakPolarHBondContact O-CG 3.34Å; V1097-R1156 VanDerWaalsContact O-CD 3.32Å; V1097-R1156 WeakPolarHBondContact O-CD 3.3Å; V1097-R1156 PolarHBondContact O-NH1 3.4Å; R1121-R1156 HydrophobicContact CB-CB 4.09Å; R1121-R1156 VanDerWaalsContact O-CB 3.29Å; R1121-R1156 WeakPolarHBondContact O-CB 3.38Å; R1121-R1156 PolarHBondContact O-N 3.08Å | ||
| 1157 | S | 72.8 | Confident | 70.5 | Confident | 72 Ų | 72 | 82.5 Ų | 82.5 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | trans | -58.6 | 141.8 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | Q1155 | Q1155-S1157 PolarHBondContact O-N 3.29Š| ||
| 1158 | A | 58 | Low | 69.9 | Low | 99 Ų | 99 | 83.4 Ų | 83.4 | 82% | 0.818 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -83.8 | -20.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1160 | A1158-E1160 PolarHBondContact O-N 3.45Š|
| 1159 | E | 56.7 | Low | 68.8 | Low | 161 Ų | 161 | 88.3 Ų | 88.3 | 75% | 0.752 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -79.4 | -15 | -166.3 | -73.2 | -177.4 | 155.3 | 0 | 0 | 115.2 | ||
| 1160 | E | 56.5 | Low | 67.8 | Low | 98 Ų | 98 | 92.9 Ų | 92.9 | 46% | 0.458 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -121.4 | 59.3 | -171.2 | -69.6 | 178.3 | 169.3 | 0 | 0 | 112.2 | R1095 A1158 | R1095-E1160 IonicContact CZ-OE2 3.73Å; R1095-E1160 IonicContact NH1-OE1 2.69Å; R1095-E1160 IonicContact NH1-OE2 3.66Å; R1095-E1160 PolarHBondContact NH1-OE2 2.77Å; A1158-E1160 PolarHBondContact O-N 3.45Å |
| 1161 | G | 51.4 | Low | 66.6 | Low | 58 Ų | 58 | 88.3 Ų | 88.3 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | trans | -145.2 | 5.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1163 | G1161-S1163 PolarHBondContact O-N 3.46Š| ||
| 1162 | R | 37.9 | Very low | 65.2 | Low | 241 Ų | 241 | 94.5 Ų | 94.5 | 91% | 0.909 | 54% | 0.535 | S | S | * | . | trans | -94.7 | 86.8 | 174.3 | -79.6 | -175.6 | 175.8 | 172.6 | -0.5 | 110.8 | ||||
| 1163 | S | 33.8 | Very low | 63.2 | Low | 159 Ų | 159 | 102.7 Ų | 102.7 | 100% | 1.112 | 58% | 0.582 | S | S | * | * | -173 | 0 | 124 | 38.8 | 0 | 0 | 0 | 0 | 108.5 | K1025 G1161 | K1025-S1163 PolarHBondContact NZ-O 3.39Å; G1161-S1163 PolarHBondContact O-N 3.46Å |
Retrieved 1,163 of 1,163 residues in 8470.5 ms
(Link to these results)