| 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 | 25.6 | Very low | 46.4 | Very low | 237 Ų | 237 | 109.4 Ų | 109.4 | 100% | 1.167 | 62% | 0.622 | S | S | * | * | 0 | 123.8 | 0 | -106.3 | 168.8 | 172.3 | 0 | 0 | 108 | L3 | M1-L3 PolarHBondContact O-N 3.37Š| |||
| 2 | K | 24.7 | Very low | 49.4 | Very low | 216 Ų | 216 | 106.8 Ų | 106.8 | 94% | 0.939 | 61% | 0.605 | S | S | * | * | trans | -68.7 | 96.4 | -177.6 | -76.9 | 179.4 | 174.9 | 178.6 | 0 | 110 | G4 | K2-G4 PolarHBondContact O-N 3.04Š| ||
| 3 | L | 31.5 | Very low | 52 | Low | 141 Ų | 141 | 111.5 Ų | 111.5 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | trans | -97 | 68.8 | 165.4 | -78.9 | 158.9 | 0 | 0 | 0 | 108.3 | M1 | M1-L3 PolarHBondContact O-N 3.37Š| ||
| 4 | G | 33.3 | Very low | 54.4 | Low | 48 Ų | 48 | 106.9 Ų | 106.9 | 50% | 0.495 | 59% | 0.591 | S | S | . | * | trans | -82.2 | 154.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | K2 T6 | K2-G4 PolarHBondContact O-N 3.04Å; G4-T6 VanDerWaalsContact C-N 3.26Å; G4-T6 PolarHBondContact O-N 2.93Å | ||
| 5 | A | 41.8 | Very low | 56.2 | Low | 69 Ų | 69 | 102.9 Ų | 102.9 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | trans | -63.7 | 83.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 6 | T | 39.3 | Very low | 57.8 | Low | 113 Ų | 113 | 102.6 Ų | 102.6 | 69% | 0.693 | 57% | 0.572 | S | S | * | * | trans | -87.8 | 133.2 | 174.7 | 51.8 | 0 | 0 | 0 | 0 | 109.6 | G4 E8 | G4-T6 VanDerWaalsContact C-N 3.26Å; G4-T6 PolarHBondContact O-N 2.93Å; T6-E8 PolarHBondContact O-N 3.07Å | ||
| 7 | G | 43.8 | Very low | 59.2 | Low | 48 Ų | 48 | 103.7 Ų | 103.7 | 50% | 0.495 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -77.2 | 7.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q125 | G7-Q125 PolarHBondContact O-NE2 3.4Š|
| 8 | E | 54.8 | Low | 60.6 | Low | 164 Ų | 164 | 98.9 Ų | 98.9 | 77% | 0.766 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -91.3 | 140 | 173.7 | -70.8 | -175.2 | 170.3 | 0 | 0 | 110.8 | T6 N10 | T6-E8 PolarHBondContact O-N 3.07Å; E8-N10 PolarHBondContact O-N 2.66Å |
| 9 | P | 61.5 | Low | 62 | Low | 48 Ų | 48 | 101.4 Ų | 101.4 | 31% | 0.312 | 55% | 0.549 | S | S | . | . | trans | -64.5 | 125.3 | -179.5 | 26 | -32.1 | 0 | 0 | 0 | 110.4 | V11 Y49 Y59 | P9-V11 VanDerWaalsContact C-N 3.28Å; P9-V11 HydrophobicContact CB-CG1 4.01Å; P9-V11 HydrophobicContact CB-CG2 4.38Å; P9-V11 HydrophobicContact CG-CG2 4.4Å; P9-V11 PolarHBondContact O-N 3.43Å; P9-Y49 HydrophobicContact CB-CE1 4.07Å; P9-Y59 HydrophobicContact CG-CE2 4.35Å | ||
| 10 | N | 73.5 | Confident | 63.4 | Low | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | trans | -76.7 | 81.1 | 174.6 | -173.4 | 8 | 0 | 0 | 0 | 109.9 | E8 | E8-N10 PolarHBondContact O-N 2.66Š| ||
| 11 | V | 80.3 | Confident | 64.8 | Low | 35 Ų | 35 | 96.8 Ų | 96.8 | 21% | 0.212 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.7 | -175.8 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | P9 A47 Q48 Y49 | P9-V11 VanDerWaalsContact C-N 3.28Å; P9-V11 HydrophobicContact CB-CG1 4.01Å; P9-V11 HydrophobicContact CB-CG2 4.38Å; P9-V11 HydrophobicContact CG-CG2 4.4Å; P9-V11 PolarHBondContact O-N 3.43Å; V11-A47 HydrophobicContact CB-CB 3.67Å; V11-A47 HydrophobicContact CG1-CB 4.45Å; V11-A47 HydrophobicContact CG2-CB 3.58Å; V11-Q48 WeakPolarHBondContact CA-O 3.34Å; V11-Y49 HydrophobicContact CG1-CD1 3.46Å; V11-Y49 VanDerWaalsContact CG1-CD1 3.46Å; V11-Y49 HydrophobicContact CG1-CD2 4.17Å; V11-Y49 HydrophobicContact CG1-CE1 3.47Å; V11-Y49 VanDerWaalsContact CG1-CE1 3.47Å; V11-Y49 HydrophobicContact CG1-CE2 4.19Å; V11-Y49 HydrophobicContact CG1-CG 3.84Å |
| 12 | D | 82.4 | Confident | 67.9 | Low | 78 Ų | 78 | 88.1 Ų | 88.1 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 178.5 | 178.2 | -83.3 | -42.6 | 0 | 0 | 0 | 110.3 | Q48 R50 | D12-Q48 PolarHBondContact N-O 2.88Å; D12-Q48 PolarHBondContact O-N 3.25Å; D12-R50 HydrophobicContact CB-CG 4.4Å; D12-R50 VanDerWaalsContact CB-NE 3.3Å; D12-R50 WeakPolarHBondContact OD2-CG 3.23Å; D12-R50 IonicContact OD2-CZ 3.62Å; D12-R50 IonicContact OD2-NE 3.02Å; D12-R50 PolarHBondContact OD2-NE 3.18Å; D12-R50 IonicContact OD2-NH2 3.66Å; D12-R50 PolarHBondContact OD2-NH2 3.36Å |
| 13 | E | 83.5 | Confident | 71 | Confident | 169 Ų | 169 | 85.7 Ų | 85.7 | 79% | 0.79 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 143.7 | 169.8 | -68.4 | -169.6 | 170.8 | 0 | 0 | 113.3 | L15 R50 | E13-L15 PolarHBondContact O-N 2.88Å; E13-R50 PolarHBondContact O-NH1 3.21Å; E13-R50 PolarHBondContact O-NH2 3.49Å |
| 14 | M | 85.3 | Confident | 74 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 23% | 0.227 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 128 | 178.2 | -68.4 | -175.4 | -93.1 | 0 | 0 | 111.3 | K19 F20 I46 Q48 F58 | M14-K19 HydrophobicContact CB-CG 4.36Å; M14-F20 HydrophobicContact SD-CE1 4.24Å; M14-F20 HydrophobicContact SD-CZ 4.27Å; M14-I46 HydrophobicContact CE-CB 3.87Å; M14-I46 HydrophobicContact CE-CG2 3.73Å; M14-I46 HydrophobicContact CG-CG2 4.42Å; M14-I46 HydrophobicContact SD-CB 4.47Å; M14-I46 HydrophobicContact SD-CG2 3.67Å; M14-Q48 HydrophobicContact CG-CB 4.33Å; M14-F58 HydrophobicContact CG-CD1 3.98Å; M14-F58 HydrophobicContact CG-CE1 3.88Å; M14-F58 HydrophobicContact SD-CD1 4.14Å; M14-F58 HydrophobicContact SD-CE1 4.08Å |
| 15 | L | 81.9 | Confident | 76.8 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 143.6 | 174.7 | -66.8 | 174.7 | 0 | 0 | 0 | 110.4 | E13 Q17 H18 K19 | E13-L15 PolarHBondContact O-N 2.88Å; L15-Q17 VanDerWaalsContact C-N 3.27Å; L15-Q17 PolarHBondContact O-N 3.29Å; L15-H18 HydrophobicContact CB-CB 4.39Å; L15-H18 WeakPolarHBondContact O-CA 3.38Å; L15-H18 PolarHBondContact O-N 3.4Å; L15-K19 PolarHBondContact O-N 3.12Å |
| 16 | P | 81.4 | Confident | 79.3 | Confident | 99 Ų | 99 | 78 Ų | 78 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -52.3 | -42.6 | -177.6 | -28.3 | 35.3 | 0 | 0 | 0 | 113.6 | H18 K19 | P16-H18 PolarHBondContact O-N 3.34Å; P16-K19 PolarHBondContact O-N 2.87Å |
| 17 | Q | 81.4 | Confident | 81.8 | Confident | 121 Ų | 121 | 75.5 Ų | 75.5 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -67.3 | -16.5 | 178.6 | 65.3 | -97.2 | 33.9 | 0 | 0 | 114 | L15 P74 | L15-Q17 VanDerWaalsContact C-N 3.27Å; L15-Q17 PolarHBondContact O-N 3.29Å; Q17-P74 VanDerWaalsContact O-CG 3.26Å; Q17-P74 WeakPolarHBondContact O-CG 3.46Å |
| 18 | H | 84.9 | Confident | 84.2 | Confident | 18 Ų | 18 | 75 Ų | 75 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -106.5 | -1.8 | -174.3 | -72.3 | 173.9 | 0 | 0 | 0 | 113.7 | L15 P16 F20 Q48 F58 K71 | L15-H18 HydrophobicContact CB-CB 4.39Å; L15-H18 WeakPolarHBondContact O-CA 3.38Å; L15-H18 PolarHBondContact O-N 3.4Å; P16-H18 PolarHBondContact O-N 3.34Å; H18-F20 VanDerWaalsContact O-CD1 3.28Å; H18-F20 WeakPolarHBondContact O-CD1 3.34Å; H18-Q48 PolarHBondContact ND1-NE2 2.99Å; H18-F58 HydrophobicContact CB-CE1 4.41Å; H18-F58 HydrophobicContact CB-CZ 4.03Å; H18-K71 WeakPolarHBondContact O-CE 3.24Å |
| 19 | K | 86.8 | Confident | 86 | Confident | 145 Ų | 145 | 67.3 Ų | 67.3 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | trans | -60.8 | 142.7 | 177.9 | -70 | -173.5 | 176.4 | -176.2 | 0 | 111.2 | M14 L15 P16 | M14-K19 HydrophobicContact CB-CG 4.36Å; L15-K19 PolarHBondContact O-N 3.12Å; P16-K19 PolarHBondContact O-N 2.87Å | ||
| 20 | F | 90.9 | Very high | 87.4 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | trans | -144.3 | 168.1 | 174.6 | 52.5 | -98 | 0 | 0 | 0 | 109.9 | M14 H18 S22 L25 I46 F58 K71 I114 | M14-F20 HydrophobicContact SD-CE1 4.24Å; M14-F20 HydrophobicContact SD-CZ 4.27Å; H18-F20 VanDerWaalsContact O-CD1 3.28Å; H18-F20 WeakPolarHBondContact O-CD1 3.34Å; F20-S22 PolarHBondContact O-N 3.24Å; F20-S22 VanDerWaalsContact O-N 3.11Å; F20-L25 HydrophobicContact CD2-CD2 4.46Å; F20-L25 HydrophobicContact CE2-CD2 3.61Å; F20-L25 HydrophobicContact CZ-CD2 4.32Å; F20-I46 HydrophobicContact CE2-CD1 4.06Å; F20-I46 HydrophobicContact CZ-CD1 4.5Å; F20-I46 HydrophobicContact CZ-CG2 4.17Å; F20-F58 HydrophobicContact CD1-CZ 4.42Å; F20-F58 HydrophobicContact CE1-CD1 4.02Å; F20-F58 HydrophobicContact CE1-CD2 4.09Å; F20-F58 AromaticContact CE1-CE1 3.77Å; F20-F58 HydrophobicContact CE1-CE1 3.77Å; F20-F58 AromaticContact CE1-CE2 3.86Å; F20-F58 HydrophobicContact CE1-CE2 3.86Å; F20-F58 HydrophobicContact CE1-CG 4.19Å; F20-F58 AromaticContact CE1-CZ 3.68Å; F20-F58 HydrophobicContact CE1-CZ 3.68Å; F20-F58 HydrophobicContact CZ-CD1 4.33Å; F20-F58 HydrophobicContact CZ-CD2 4.49Å; F20-F58 HydrophobicContact CZ-CE1 4.49Å; F20-F58 HydrophobicContact CZ-CG 4.33Å; F20-K71 HydrophobicContact CD1-CD 3.82Å; F20-K71 HydrophobicContact CE1-CD 3.96Å; F20-I114 HydrophobicContact CB-CB 3.95Å; F20-I114 WeakPolarHBondContact CB-O 3.5Å; F20-I114 HydrophobicContact CD2-CB 4.12Å; F20-I114 HydrophobicContact CD2-CG2 3.97Å; F20-I114 HydrophobicContact CG-CB 4.15Å; F20-I114 HydrophobicContact CG-CD1 4.46Å | ||
| 21 | D | 91.4 | Very high | 88.3 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | trans | -70.9 | 104.3 | -179 | -175.9 | -6.7 | 0 | 0 | 0 | 111.3 | K23 S24 L25 | D21-K23 VanDerWaalsContact C-N 3.33Å; D21-K23 PolarHBondContact O-N 3.38Å; D21-K23 WeakPolarHBondContact OD1-CB 3.44Å; D21-K23 PolarHBondContact OD1-N 3.23Å; D21-S24 VanDerWaalsContact CG-OG 3.29Å; D21-S24 PolarHBondContact OD1-N 3.06Å; D21-S24 WeakPolarHBondContact OD2-CB 3.36Å; D21-S24 PolarHBondContact OD2-OG 3.48Å; D21-L25 PolarHBondContact O-N 2.94Å; D21-L25 VanDerWaalsContact O-N 3.14Å | ||
| 22 | S | 90.8 | Very high | 88.8 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69 | -28.2 | 179.4 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | F20 E26 | F20-S22 PolarHBondContact O-N 3.24Å; F20-S22 VanDerWaalsContact O-N 3.11Å; S22-E26 WeakPolarHBondContact O-CB 3.47Å; S22-E26 PolarHBondContact O-N 3.37Å |
| 23 | K | 90.9 | Very high | 89.2 | Confident | 165 Ų | 165 | 70.4 Ų | 70.4 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.8 | -43.4 | 178.8 | -67.7 | -175.9 | 178.2 | -179.4 | 0 | 110.8 | D21 L25 E26 A27 | D21-K23 VanDerWaalsContact C-N 3.33Å; D21-K23 PolarHBondContact O-N 3.38Å; D21-K23 WeakPolarHBondContact OD1-CB 3.44Å; D21-K23 PolarHBondContact OD1-N 3.23Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-E26 PolarHBondContact O-N 3.46Å; K23-A27 WeakPolarHBondContact O-CB 3.48Å; K23-A27 PolarHBondContact O-N 3.18Å |
| 24 | S | 93.2 | Very high | 89.1 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 175.4 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | D21 Y28 V113 | D21-S24 VanDerWaalsContact CG-OG 3.29Å; D21-S24 PolarHBondContact OD1-N 3.06Å; D21-S24 WeakPolarHBondContact OD2-CB 3.36Å; D21-S24 PolarHBondContact OD2-OG 3.48Å; S24-Y28 WeakPolarHBondContact O-CB 3.45Å; S24-Y28 PolarHBondContact O-N 3.24Å; S24-V113 WeakPolarHBondContact CB-O 3.16Å |
| 25 | L | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 171.4 | -179.9 | 62.9 | 0 | 0 | 0 | 111.8 | F20 D21 K23 A27 Y28 L29 I46 L60 L69 I114 F118 | F20-L25 HydrophobicContact CD2-CD2 4.46Å; F20-L25 HydrophobicContact CE2-CD2 3.61Å; F20-L25 HydrophobicContact CZ-CD2 4.32Å; D21-L25 PolarHBondContact O-N 2.94Å; D21-L25 VanDerWaalsContact O-N 3.14Å; K23-L25 VanDerWaalsContact C-N 3.34Å; L25-A27 PolarHBondContact O-N 2.91Å; L25-Y28 PolarHBondContact O-N 3.07Å; L25-L29 HydrophobicContact CD1-CD1 3.96Å; L25-L29 HydrophobicContact CD1-CD2 4.38Å; L25-L29 HydrophobicContact CD1-CG 3.96Å; L25-L29 HydrophobicContact CD2-CD1 4.42Å; L25-L29 HydrophobicContact CG-CD1 3.89Å; L25-L29 HydrophobicContact CG-CG 4.24Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 2.63Å; L25-I46 HydrophobicContact CD2-CD1 4.07Å; L25-L60 HydrophobicContact CD2-CD1 4.41Å; L25-L60 HydrophobicContact CD2-CD2 4.29Å; L25-L69 HydrophobicContact CD1-CD1 3.75Å; L25-L69 HydrophobicContact CD2-CD1 3.54Å; L25-L69 HydrophobicContact CG-CD1 4.32Å; L25-I114 HydrophobicContact CB-CG2 3.75Å; L25-I114 HydrophobicContact CD1-CG2 4.04Å; L25-I114 HydrophobicContact CG-CG2 4.38Å; L25-F118 HydrophobicContact CD1-CD2 4.48Å; L25-F118 HydrophobicContact CD1-CE1 4.47Å; L25-F118 HydrophobicContact CD1-CE2 3.71Å; L25-F118 HydrophobicContact CD1-CZ 3.7Å |
| 26 | E | 92.9 | Very high | 89.1 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 23% | 0.234 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | -178.2 | -177 | 169.2 | -164.4 | 0 | 0 | 112.2 | S22 K23 Y28 L29 N30 F36 L44 K62 | S22-E26 WeakPolarHBondContact O-CB 3.47Å; S22-E26 PolarHBondContact O-N 3.37Å; K23-E26 PolarHBondContact O-N 3.46Å; E26-Y28 VanDerWaalsContact C-N 3.33Å; E26-Y28 PolarHBondContact O-N 2.94Å; E26-L29 PolarHBondContact O-N 3.44Å; E26-N30 WeakPolarHBondContact O-CB 3.18Å; E26-N30 VanDerWaalsContact O-CG 3.3Å; E26-N30 PolarHBondContact O-N 3.47Å; E26-N30 PolarHBondContact O-ND2 3.24Å; E26-F36 HydrophobicContact CG-CE1 4.36Å; E26-L44 HydrophobicContact CB-CD2 3.85Å; E26-L44 HydrophobicContact CG-CB 4.5Å; E26-L44 HydrophobicContact CG-CD2 4.27Å; E26-K62 IonicContact OE1-NZ 3.77Å; E26-K62 PolarHBondContact OE1-NZ 2.81Å |
| 27 | A | 91.9 | Very high | 89 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K23 L25 N30 Q31 | K23-A27 WeakPolarHBondContact O-CB 3.48Å; K23-A27 PolarHBondContact O-N 3.18Å; L25-A27 PolarHBondContact O-N 2.91Å; A27-N30 PolarHBondContact O-N 3.49Å; A27-Q31 PolarHBondContact O-N 3.2Å |
| 28 | Y | 94.3 | Very high | 89 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 15% | 0.153 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 178 | -176.5 | -94.9 | 0 | 0 | 0 | 112.3 | S24 L25 E26 Q31 H32 L106 C108 V113 F118 | S24-Y28 WeakPolarHBondContact O-CB 3.45Å; S24-Y28 PolarHBondContact O-N 3.24Å; L25-Y28 PolarHBondContact O-N 3.07Å; E26-Y28 VanDerWaalsContact C-N 3.33Å; E26-Y28 PolarHBondContact O-N 2.94Å; Y28-Q31 PolarHBondContact O-N 2.76Å; Y28-H32 AromaticContact CD2-CE1 3.75Å; Y28-H32 AromaticContact CD2-ND1 3.59Å; Y28-H32 HydrophobicContact CE1-CB 4.32Å; Y28-H32 AromaticContact CE2-CE1 3.56Å; Y28-H32 AromaticContact CE2-ND1 3.54Å; Y28-H32 AromaticContact CG-ND1 3.93Å; Y28-H32 AromaticContact CZ-CG 4Å; Y28-H32 AromaticContact CZ-ND1 3.85Å; Y28-H32 PolarHBondContact O-N 2.83Å; Y28-H32 PolarHBondContact O-ND1 3.4Å; Y28-L106 HydrophobicContact CD1-CD2 4.37Å; Y28-L106 HydrophobicContact CE1-CD2 3.76Å; Y28-L106 HydrophobicContact CE1-CG 4.48Å; Y28-C108 HydrophobicContact CE1-CB 3.85Å; Y28-C108 VanDerWaalsContact CZ-SG 3.58Å; Y28-V113 HydrophobicContact CD1-CG1 4.4Å; Y28-V113 HydrophobicContact CD2-CG1 4.14Å; Y28-V113 HydrophobicContact CD2-CG2 3.8Å; Y28-V113 HydrophobicContact CE2-CG2 4.13Å; Y28-V113 HydrophobicContact CG-CG1 3.81Å; Y28-V113 HydrophobicContact CG-CG2 4.29Å; Y28-F118 AromaticContact CD1-CZ 3.84Å; Y28-F118 HydrophobicContact CD1-CZ 3.84Å; Y28-F118 AromaticContact CE1-CZ 3.93Å; Y28-F118 HydrophobicContact CE1-CZ 3.93Å |
| 29 | L | 93.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 179.5 | -66.9 | -180 | 0 | 0 | 0 | 112.4 | L25 E26 Q31 H32 L33 F36 L60 L106 I120 | L25-L29 HydrophobicContact CD1-CD1 3.96Å; L25-L29 HydrophobicContact CD1-CD2 4.38Å; L25-L29 HydrophobicContact CD1-CG 3.96Å; L25-L29 HydrophobicContact CD2-CD1 4.42Å; L25-L29 HydrophobicContact CG-CD1 3.89Å; L25-L29 HydrophobicContact CG-CG 4.24Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 2.63Å; E26-L29 PolarHBondContact O-N 3.44Å; L29-Q31 PolarHBondContact O-N 2.87Å; L29-H32 PolarHBondContact O-N 3.37Å; L29-L33 HydrophobicContact CB-CB 4.45Å; L29-L33 HydrophobicContact CD2-CB 4.47Å; L29-L33 WeakPolarHBondContact O-CA 3.39Å; L29-L33 WeakPolarHBondContact O-CB 3.3Å; L29-L33 PolarHBondContact O-N 2.99Å; L29-F36 HydrophobicContact CB-CD1 3.61Å; L29-F36 HydrophobicContact CB-CE1 3.47Å; L29-F36 VanDerWaalsContact CB-CE1 3.47Å; L29-F36 HydrophobicContact CB-CE2 4.41Å; L29-F36 HydrophobicContact CB-CG 4.14Å; L29-F36 HydrophobicContact CB-CZ 3.89Å; L29-F36 HydrophobicContact CD1-CE1 4.13Å; L29-F36 HydrophobicContact CD1-CE2 4.02Å; L29-F36 HydrophobicContact CD1-CZ 3.67Å; L29-F36 HydrophobicContact CG-CE1 4.46Å; L29-F36 HydrophobicContact CG-CZ 4.45Å; L29-L60 HydrophobicContact CD1-CD1 3.98Å; L29-L106 HydrophobicContact CD2-CD2 3.94Å; L29-I120 HydrophobicContact CD2-CD1 4.22Å; L29-I120 HydrophobicContact CD2-CG1 3.85Å |
| 30 | N | 90.6 | Very high | 88.1 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60 | -30.7 | 175.2 | -75.8 | -41.4 | 0 | 0 | 0 | 112.6 | E26 A27 F36 G37 K62 | E26-N30 WeakPolarHBondContact O-CB 3.18Å; E26-N30 VanDerWaalsContact O-CG 3.3Å; E26-N30 PolarHBondContact O-N 3.47Å; E26-N30 PolarHBondContact O-ND2 3.24Å; A27-N30 PolarHBondContact O-N 3.49Å; N30-F36 WeakPolarHBondContact OD1-CD1 3.38Å; N30-G37 WeakPolarHBondContact OD1-CA 3.49Å; N30-K62 PolarHBondContact OD1-NZ 3.1Å; N30-K62 VanDerWaalsContact OD1-NZ 3.12Å |
| 31 | Q | 91.6 | Very high | 87.6 | Confident | 156 Ų | 156 | 74.4 Ų | 74.4 | 73% | 0.729 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -85.7 | -35.7 | 180 | -175.5 | 178.4 | 14.4 | 0 | 0 | 113 | A27 Y28 L29 | A27-Q31 PolarHBondContact O-N 3.2Å; Y28-Q31 PolarHBondContact O-N 2.76Å; L29-Q31 PolarHBondContact O-N 2.87Å |
| 32 | H | 92.4 | Very high | 87.3 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 37% | 0.366 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -111.4 | -15.7 | -167.4 | -61.9 | 88.3 | 0 | 0 | 0 | 114.8 | Y28 L29 P34 L106 | Y28-H32 AromaticContact CD2-CE1 3.75Å; Y28-H32 AromaticContact CD2-ND1 3.59Å; Y28-H32 HydrophobicContact CE1-CB 4.32Å; Y28-H32 AromaticContact CE2-CE1 3.56Å; Y28-H32 AromaticContact CE2-ND1 3.54Å; Y28-H32 AromaticContact CG-ND1 3.93Å; Y28-H32 AromaticContact CZ-CG 4Å; Y28-H32 AromaticContact CZ-ND1 3.85Å; Y28-H32 PolarHBondContact O-N 2.83Å; Y28-H32 PolarHBondContact O-ND1 3.4Å; L29-H32 PolarHBondContact O-N 3.37Å; H32-P34 WeakPolarHBondContact O-CD 3.45Å; H32-L106 HydrophobicContact CB-CD1 4.17Å; H32-L106 HydrophobicContact CB-CD2 3.97Å |
| 33 | L | 89.7 | Confident | 87.2 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -103.4 | 108.7 | -178.6 | -159.5 | 77.2 | 0 | 0 | 0 | 110.2 | L29 G35 F36 Y67 I105 L106 I120 | L29-L33 HydrophobicContact CB-CB 4.45Å; L29-L33 HydrophobicContact CD2-CB 4.47Å; L29-L33 WeakPolarHBondContact O-CA 3.39Å; L29-L33 WeakPolarHBondContact O-CB 3.3Å; L29-L33 PolarHBondContact O-N 2.99Å; L33-G35 PolarHBondContact O-N 3Å; L33-F36 HydrophobicContact CB-CB 3.81Å; L33-F36 HydrophobicContact CB-CG 4.36Å; L33-F36 HydrophobicContact CD2-CB 3.81Å; L33-F36 HydrophobicContact CD2-CD2 3.49Å; L33-F36 VanDerWaalsContact CD2-CD2 3.49Å; L33-F36 HydrophobicContact CD2-CE2 4.29Å; L33-F36 HydrophobicContact CD2-CG 3.87Å; L33-F36 HydrophobicContact CG-CB 4.17Å; L33-F36 WeakPolarHBondContact O-CB 3.17Å; L33-F36 PolarHBondContact O-N 3.15Å; L33-Y67 HydrophobicContact CD2-CD1 4.14Å; L33-Y67 HydrophobicContact CD2-CD2 4.37Å; L33-Y67 HydrophobicContact CD2-CE1 3.7Å; L33-Y67 HydrophobicContact CD2-CE2 3.97Å; L33-Y67 HydrophobicContact CD2-CG 4.43Å; L33-I105 HydrophobicContact CD1-CB 4.15Å; L33-I105 HydrophobicContact CD1-CG2 3.37Å; L33-I105 HydrophobicContact CG-CG2 4.47Å; L33-L106 HydrophobicContact CD1-CB 4.03Å; L33-L106 HydrophobicContact CD1-CD2 4.24Å; L33-I120 HydrophobicContact CD1-CG2 4.42Å |
| 34 | P | 81.3 | Confident | 87.3 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 73% | 0.734 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 129.1 | -179.1 | -24.8 | 34.6 | 0 | 0 | 0 | 112 | H32 F36 | H32-P34 WeakPolarHBondContact O-CD 3.45Å; P34-F36 VanDerWaalsContact C-N 3.3Å; P34-F36 PolarHBondContact O-N 2.65Å |
| 35 | G | 82.3 | Confident | 87.2 | Confident | 48 Ų | 48 | 69 Ų | 69 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -13.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L33 G37 A38 Q65 | L33-G35 PolarHBondContact O-N 3Å; G35-G37 VanDerWaalsContact C-N 3.32Å; G35-G37 PolarHBondContact O-N 3.18Å; G35-A38 VanDerWaalsContact O-CB 3.25Å; G35-A38 WeakPolarHBondContact O-CB 3.26Å; G35-A38 PolarHBondContact O-N 2.95Å; G35-Q65 PolarHBondContact O-NE2 3.43Å; G35-Q65 PolarHBondContact O-OE1 3.43Å |
| 36 | F | 85.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 0% | 0.004 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -63.4 | -35.6 | -177.3 | -171.3 | -101.1 | 0 | 0 | 0 | 113.4 | E26 L29 N30 L33 P34 A38 L44 K62 Y67 | E26-F36 HydrophobicContact CG-CE1 4.36Å; L29-F36 HydrophobicContact CB-CD1 3.61Å; L29-F36 HydrophobicContact CB-CE1 3.47Å; L29-F36 VanDerWaalsContact CB-CE1 3.47Å; L29-F36 HydrophobicContact CB-CE2 4.41Å; L29-F36 HydrophobicContact CB-CG 4.14Å; L29-F36 HydrophobicContact CB-CZ 3.89Å; L29-F36 HydrophobicContact CD1-CE1 4.13Å; L29-F36 HydrophobicContact CD1-CE2 4.02Å; L29-F36 HydrophobicContact CD1-CZ 3.67Å; L29-F36 HydrophobicContact CG-CE1 4.46Å; L29-F36 HydrophobicContact CG-CZ 4.45Å; N30-F36 WeakPolarHBondContact OD1-CD1 3.38Å; L33-F36 HydrophobicContact CB-CB 3.81Å; L33-F36 HydrophobicContact CB-CG 4.36Å; L33-F36 HydrophobicContact CD2-CB 3.81Å; L33-F36 HydrophobicContact CD2-CD2 3.49Å; L33-F36 VanDerWaalsContact CD2-CD2 3.49Å; L33-F36 HydrophobicContact CD2-CE2 4.29Å; L33-F36 HydrophobicContact CD2-CG 3.87Å; L33-F36 HydrophobicContact CG-CB 4.17Å; L33-F36 WeakPolarHBondContact O-CB 3.17Å; L33-F36 PolarHBondContact O-N 3.15Å; P34-F36 VanDerWaalsContact C-N 3.3Å; P34-F36 PolarHBondContact O-N 2.65Å; F36-A38 VanDerWaalsContact C-N 3.31Å; F36-A38 PolarHBondContact O-N 3.39Å; F36-L44 HydrophobicContact CE2-CD1 4.47Å; F36-L44 HydrophobicContact CZ-CD1 3.96Å; F36-L44 HydrophobicContact CZ-CD2 4.34Å; F36-K62 HydrophobicContact CD1-CD 4.11Å; F36-K62 HydrophobicContact CE1-CD 3.64Å; F36-K62 HydrophobicContact CE2-CB 4.1Å; F36-K62 HydrophobicContact CE2-CD 4.17Å; F36-K62 HydrophobicContact CZ-CB 4.24Å; F36-K62 HydrophobicContact CZ-CD 3.69Å; F36-Y67 HydrophobicContact CD2-CD2 4.2Å; F36-Y67 AromaticContact CD2-CE2 3.58Å; F36-Y67 HydrophobicContact CD2-CE2 3.58Å; F36-Y67 HydrophobicContact CE2-CD2 4.12Å; F36-Y67 AromaticContact CE2-CE2 3.93Å; F36-Y67 HydrophobicContact CE2-CE2 3.93Å |
| 37 | G | 79.1 | Confident | 87.1 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 27% | 0.268 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -84.6 | 8.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N30 G35 E39 | N30-G37 WeakPolarHBondContact OD1-CA 3.49Å; G35-G37 VanDerWaalsContact C-N 3.32Å; G35-G37 PolarHBondContact O-N 3.18Å; G37-E39 PolarHBondContact O-N 3.25Å |
| 38 | A | 80.5 | Confident | 87 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 65% | 0.645 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -65.9 | -36 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G35 F36 | G35-A38 VanDerWaalsContact O-CB 3.25Å; G35-A38 WeakPolarHBondContact O-CB 3.26Å; G35-A38 PolarHBondContact O-N 2.95Å; F36-A38 VanDerWaalsContact C-N 3.31Å; F36-A38 PolarHBondContact O-N 3.39Å |
| 39 | E | 80.4 | Confident | 86.6 | Confident | 66 Ų | 66 | 66 Ų | 66 | 31% | 0.308 | 36% | 0.363 | S | S | . | . | trans | -103.1 | 80 | 176.9 | -66.9 | -178.6 | -140.1 | 0 | 0 | 110.1 | G37 E41 A42 G63 | G37-E39 PolarHBondContact O-N 3.25Å; E39-E41 PolarHBondContact O-N 3.42Å; E39-A42 HydrophobicContact CB-CB 3.88Å; E39-A42 PolarHBondContact O-N 2.68Å; E39-G63 WeakPolarHBondContact OE2-CA 3.48Å | ||
| 40 | R | 74.4 | Confident | 85.8 | Confident | 229 Ų | 229 | 69.9 Ų | 69.9 | 86% | 0.864 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.8 | -174.4 | -69.1 | -174.6 | 179.4 | -179.2 | -0 | 114.4 | ||
| 41 | E | 80.4 | Confident | 84.6 | Confident | 194 Ų | 194 | 69.3 Ų | 69.3 | 91% | 0.907 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -11.7 | -178.7 | -63.2 | -177.4 | 176.8 | 0 | 0 | 113.2 | E39 | E39-E41 PolarHBondContact O-N 3.42Š|
| 42 | A | 85 | Confident | 83.1 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -80 | 126.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E39 K62 | E39-A42 HydrophobicContact CB-CB 3.88Å; E39-A42 PolarHBondContact O-N 2.68Å; A42-K62 HydrophobicContact CB-CG 4.18Å; A42-K62 WeakPolarHBondContact O-CE 3.39Å |
| 43 | T | 88.3 | Confident | 81.7 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | trans | -70.9 | 137.1 | 175.7 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | T45 | T43-T45 PolarHBondContact O-N 3.09Š| ||
| 44 | L | 91.8 | Very high | 80.9 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115.4 | 170.2 | 177.2 | 60.5 | 0 | 0 | 0 | 110.7 | E26 F36 I46 L60 K62 | E26-L44 HydrophobicContact CB-CD2 3.85Å; E26-L44 HydrophobicContact CG-CB 4.5Å; E26-L44 HydrophobicContact CG-CD2 4.27Å; F36-L44 HydrophobicContact CE2-CD1 4.47Å; F36-L44 HydrophobicContact CZ-CD1 3.96Å; F36-L44 HydrophobicContact CZ-CD2 4.34Å; L44-I46 HydrophobicContact CD2-CD1 4.1Å; L44-I46 HydrophobicContact CD2-CG1 4.27Å; L44-I46 HydrophobicContact CG-CD1 4.36Å; L44-I46 HydrophobicContact CG-CG1 4Å; L44-L60 HydrophobicContact CD1-CB 4.24Å; L44-K62 HydrophobicContact CD1-CB 4.29Å |
| 45 | T | 92 | Very high | 81 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.6 | 171.2 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | T43 L60 Q61 | T43-T45 PolarHBondContact O-N 3.09Å; T45-L60 WeakPolarHBondContact O-CA 3.4Å; T45-Q61 PolarHBondContact N-O 3.21Å; T45-Q61 PolarHBondContact O-N 3.18Å |
| 46 | I | 93.6 | Very high | 81.3 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.2 | 179.2 | -52.5 | -175.9 | 0 | 0 | 0 | 108.7 | M14 F20 L25 L44 F58 Y59 L60 | M14-I46 HydrophobicContact CE-CB 3.87Å; M14-I46 HydrophobicContact CE-CG2 3.73Å; M14-I46 HydrophobicContact CG-CG2 4.42Å; M14-I46 HydrophobicContact SD-CB 4.47Å; M14-I46 HydrophobicContact SD-CG2 3.67Å; F20-I46 HydrophobicContact CE2-CD1 4.06Å; F20-I46 HydrophobicContact CZ-CD1 4.5Å; F20-I46 HydrophobicContact CZ-CG2 4.17Å; L25-I46 HydrophobicContact CD2-CD1 4.07Å; L44-I46 HydrophobicContact CD2-CD1 4.1Å; L44-I46 HydrophobicContact CD2-CG1 4.27Å; L44-I46 HydrophobicContact CG-CD1 4.36Å; L44-I46 HydrophobicContact CG-CG1 4Å; I46-F58 HydrophobicContact CG2-CB 4.34Å; I46-F58 HydrophobicContact CG2-CD1 4.32Å; I46-Y59 WeakPolarHBondContact CA-O 3.25Å; I46-L60 HydrophobicContact CB-CD2 4.21Å; I46-L60 HydrophobicContact CD1-CD2 4.15Å; I46-L60 HydrophobicContact CG1-CD2 3.75Å; I46-L60 HydrophobicContact CG2-CD2 3.87Å |
| 47 | A | 91.5 | Very high | 81.6 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | V11 F58 Y59 | V11-A47 HydrophobicContact CB-CB 3.67Å; V11-A47 HydrophobicContact CG1-CB 4.45Å; V11-A47 HydrophobicContact CG2-CB 3.58Å; A47-F58 CarbonylContact O-C 3.44Å; A47-F58 WeakPolarHBondContact O-CA 3.32Å; A47-F58 WeakPolarHBondContact O-CB 3.36Å; A47-Y59 PolarHBondContact N-O 3.19Å; A47-Y59 PolarHBondContact O-N 3.43Å |
| 48 | Q | 89.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.3 | -177.8 | -167.4 | -171.2 | -25.5 | 0 | 0 | 110.6 | V11 D12 M14 H18 F58 | V11-Q48 WeakPolarHBondContact CA-O 3.34Å; D12-Q48 PolarHBondContact N-O 2.88Å; D12-Q48 PolarHBondContact O-N 3.25Å; M14-Q48 HydrophobicContact CG-CB 4.33Å; H18-Q48 PolarHBondContact ND1-NE2 2.99Å; Q48-F58 HydrophobicContact CB-CD1 3.82Å; Q48-F58 HydrophobicContact CB-CE1 3.93Å; Q48-F58 HydrophobicContact CG-CD1 3.83Å; Q48-F58 HydrophobicContact CG-CE1 3.64Å; Q48-F58 HydrophobicContact CG-CZ 4.24Å |
| 49 | Y | 86.1 | Confident | 82.9 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.6 | 168.1 | -69.8 | -81.9 | 0 | 0 | 0 | 110 | P9 V11 T57 Y59 V68 H123 | P9-Y49 HydrophobicContact CB-CE1 4.07Å; V11-Y49 HydrophobicContact CG1-CD1 3.46Å; V11-Y49 VanDerWaalsContact CG1-CD1 3.46Å; V11-Y49 HydrophobicContact CG1-CD2 4.17Å; V11-Y49 HydrophobicContact CG1-CE1 3.47Å; V11-Y49 VanDerWaalsContact CG1-CE1 3.47Å; V11-Y49 HydrophobicContact CG1-CE2 4.19Å; V11-Y49 HydrophobicContact CG1-CG 3.84Å; Y49-T57 HydrophobicContact CD2-CG2 3.8Å; Y49-T57 HydrophobicContact CE2-CG2 4.35Å; Y49-T57 PolarHBondContact N-O 3.35Å; Y49-Y59 WeakPolarHBondContact OH-CD2 3.01Å; Y49-V68 HydrophobicContact CE2-CG1 4.28Å; Y49-V68 HydrophobicContact CE2-CG2 4.26Å; Y49-H123 PolarHBondContact OH-CD2 3.06Å; Y49-H123 PolarHBondContact OH-NE2 2.82Å; Y49-H123 VanDerWaalsContact OH-NE2 3.14Å |
| 50 | R | 76.3 | Confident | 83.5 | Confident | 83 Ų | 83 | 52.3 Ų | 52.3 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -79.7 | -21.2 | 174.2 | -63.3 | -55.8 | -164.2 | -152 | 3.2 | 113 | D12 E13 Q53 | D12-R50 HydrophobicContact CB-CG 4.4Å; D12-R50 VanDerWaalsContact CB-NE 3.3Å; D12-R50 WeakPolarHBondContact OD2-CG 3.23Å; D12-R50 IonicContact OD2-CZ 3.62Å; D12-R50 IonicContact OD2-NE 3.02Å; D12-R50 PolarHBondContact OD2-NE 3.18Å; D12-R50 IonicContact OD2-NH2 3.66Å; D12-R50 PolarHBondContact OD2-NH2 3.36Å; E13-R50 PolarHBondContact O-NH1 3.21Å; E13-R50 PolarHBondContact O-NH2 3.49Å; R50-Q53 PolarHBondContact O-NE2 3.29Å |
| 51 | A | 65.1 | Low | 84.3 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 49% | 0.488 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -83.5 | 158.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 52 | G | 59.3 | Low | 84.7 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 27% | 0.268 | 21% | 0.206 | S | C | . | . | trans | 82 | 47.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S54 N55 | G52-S54 VanDerWaalsContact C-N 3.26Å; G52-S54 PolarHBondContact O-N 3.05Å; G52-N55 CarbonylContact O-C 3.51Å | ||
| 53 | Q | 63.1 | Low | 84.8 | Confident | 103 Ų | 103 | 35.8 Ų | 35.8 | 48% | 0.481 | 21% | 0.208 | S | C | . | . | trans | -65.8 | -22.5 | -174.9 | -67.3 | -69.7 | -34.8 | 0 | 0 | 114.3 | R50 | R50-Q53 PolarHBondContact O-NE2 3.29Š| ||
| 54 | S | 73.1 | Confident | 84.7 | Confident | 47 Ų | 47 | 39.1 Ų | 39.1 | 33% | 0.329 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -69.9 | -54.7 | -177.7 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | G52 P73 H82 E244 | G52-S54 VanDerWaalsContact C-N 3.26Å; G52-S54 PolarHBondContact O-N 3.05Å; S54-P73 WeakPolarHBondContact O-CG 3.32Å; S54-H82 PolarHBondContact O-CE1 3.34Å; S54-H82 PolarHBondContact O-ND1 3.2Å; S54-H82 VanDerWaalsContact O-ND1 3.12Å; S54-H82 PolarHBondContact OG-CE1 3.14Å; S54-H82 VanDerWaalsContact OG-CE1 3.23Å; S54-H82 PolarHBondContact OG-ND1 2.95Å; S54-E244 WeakPolarHBondContact CB-OE2 3.46Å; S54-E244 VanDerWaalsContact OG-CD 3.23Å; S54-E244 PolarHBondContact OG-OE1 2.91Å; S54-E244 PolarHBondContact OG-OE2 2.9Å |
| 55 | N | 83.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -114.8 | 110.3 | 171.7 | -70.5 | -28.3 | 0 | 0 | 0 | 109 | G52 T57 R70 H82 E87 | G52-N55 CarbonylContact O-C 3.51Å; N55-T57 PolarHBondContact O-N 2.68Å; N55-T57 PolarHBondContact O-OG1 3.03Å; N55-R70 HydrophobicContact CB-CG 3.99Å; N55-R70 PolarHBondContact O-NE 3.45Å; N55-H82 WeakPolarHBondContact OD1-CB 3.07Å; N55-H82 PolarHBondContact OD1-ND1 3.38Å; N55-E87 PolarHBondContact ND2-OE2 3.37Å |
| 56 | P | 87.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | trans | -51.2 | 126.8 | -176.7 | -29.9 | 33.7 | 0 | 0 | 0 | 112.6 | F58 K71 | P56-F58 HydrophobicContact CB-CE2 3.61Å; P56-F58 HydrophobicContact CB-CZ 3.81Å; P56-F58 WeakPolarHBondContact O-CE2 3.44Å; P56-K71 HydrophobicContact CB-CG 4.21Å; P56-K71 WeakPolarHBondContact CD-O 3.4Å; P56-K71 PolarHBondContact O-N 3.48Å | ||
| 57 | T | 91.4 | Very high | 84.7 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133 | -173.4 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | Y49 N55 V68 L69 R70 | Y49-T57 HydrophobicContact CD2-CG2 3.8Å; Y49-T57 HydrophobicContact CE2-CG2 4.35Å; Y49-T57 PolarHBondContact N-O 3.35Å; N55-T57 PolarHBondContact O-N 2.68Å; N55-T57 PolarHBondContact O-OG1 3.03Å; T57-V68 HydrophobicContact CG2-CG1 3.34Å; T57-L69 CarbonylContact C-O 3.56Å; T57-L69 WeakPolarHBondContact CA-O 3.19Å; T57-R70 PolarHBondContact OG1-NE 3.09Å |
| 58 | F | 93 | Very high | 84.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.6 | -172.8 | -53.8 | -97.4 | 0 | 0 | 0 | 110.8 | M14 H18 F20 I46 A47 Q48 P56 V68 L69 K71 | M14-F58 HydrophobicContact CG-CD1 3.98Å; M14-F58 HydrophobicContact CG-CE1 3.88Å; M14-F58 HydrophobicContact SD-CD1 4.14Å; M14-F58 HydrophobicContact SD-CE1 4.08Å; H18-F58 HydrophobicContact CB-CE1 4.41Å; H18-F58 HydrophobicContact CB-CZ 4.03Å; F20-F58 HydrophobicContact CD1-CZ 4.42Å; F20-F58 HydrophobicContact CE1-CD1 4.02Å; F20-F58 HydrophobicContact CE1-CD2 4.09Å; F20-F58 AromaticContact CE1-CE1 3.77Å; F20-F58 HydrophobicContact CE1-CE1 3.77Å; F20-F58 AromaticContact CE1-CE2 3.86Å; F20-F58 HydrophobicContact CE1-CE2 3.86Å; F20-F58 HydrophobicContact CE1-CG 4.19Å; F20-F58 AromaticContact CE1-CZ 3.68Å; F20-F58 HydrophobicContact CE1-CZ 3.68Å; F20-F58 HydrophobicContact CZ-CD1 4.33Å; F20-F58 HydrophobicContact CZ-CD2 4.49Å; F20-F58 HydrophobicContact CZ-CE1 4.49Å; F20-F58 HydrophobicContact CZ-CG 4.33Å; I46-F58 HydrophobicContact CG2-CB 4.34Å; I46-F58 HydrophobicContact CG2-CD1 4.32Å; A47-F58 CarbonylContact O-C 3.44Å; A47-F58 WeakPolarHBondContact O-CA 3.32Å; A47-F58 WeakPolarHBondContact O-CB 3.36Å; Q48-F58 HydrophobicContact CB-CD1 3.82Å; Q48-F58 HydrophobicContact CB-CE1 3.93Å; Q48-F58 HydrophobicContact CG-CD1 3.83Å; Q48-F58 HydrophobicContact CG-CE1 3.64Å; Q48-F58 HydrophobicContact CG-CZ 4.24Å; P56-F58 HydrophobicContact CB-CE2 3.61Å; P56-F58 HydrophobicContact CB-CZ 3.81Å; P56-F58 WeakPolarHBondContact O-CE2 3.44Å; F58-V68 CarbonylContact O-C 3.5Å; F58-V68 WeakPolarHBondContact O-CA 3.43Å; F58-L69 HydrophobicContact CB-CB 4.35Å; F58-L69 HydrophobicContact CD2-CD2 3.64Å; F58-L69 HydrophobicContact CE2-CD2 4.25Å; F58-L69 HydrophobicContact CG-CD2 4.46Å; F58-L69 PolarHBondContact N-O 3.37Å; F58-L69 PolarHBondContact O-N 3.08Å; F58-K71 HydrophobicContact CE2-CD 3.64Å; F58-K71 HydrophobicContact CE2-CG 3.92Å; F58-K71 HydrophobicContact CZ-CD 4.12Å |
| 59 | Y | 93.9 | Very high | 85.1 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.2 | 167.6 | 176.2 | -102.6 | 0 | 0 | 0 | 109.2 | P9 I46 A47 Y49 Q61 T66 H123 | P9-Y59 HydrophobicContact CG-CE2 4.35Å; I46-Y59 WeakPolarHBondContact CA-O 3.25Å; A47-Y59 PolarHBondContact N-O 3.19Å; A47-Y59 PolarHBondContact O-N 3.43Å; Y49-Y59 WeakPolarHBondContact OH-CD2 3.01Å; Y59-Q61 HydrophobicContact CD1-CB 4.46Å; Y59-Q61 HydrophobicContact CE1-CB 3.63Å; Y59-Q61 PolarHBondContact OH-OE1 3.25Å; Y59-T66 HydrophobicContact CE2-CG2 4.07Å; Y59-T66 WeakPolarHBondContact OH-CG2 3.3Å; Y59-H123 AromaticContact CE2-CE1 3.81Å; Y59-H123 AromaticContact CE2-ND1 3.81Å |
| 60 | L | 94.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.9 | 174.7 | -53.8 | -177.5 | 0 | 0 | 0 | 108.8 | L25 L29 L44 T45 I46 T66 Y67 L69 I120 | L25-L60 HydrophobicContact CD2-CD1 4.41Å; L25-L60 HydrophobicContact CD2-CD2 4.29Å; L29-L60 HydrophobicContact CD1-CD1 3.98Å; L44-L60 HydrophobicContact CD1-CB 4.24Å; T45-L60 WeakPolarHBondContact O-CA 3.4Å; I46-L60 HydrophobicContact CB-CD2 4.21Å; I46-L60 HydrophobicContact CD1-CD2 4.15Å; I46-L60 HydrophobicContact CG1-CD2 3.75Å; I46-L60 HydrophobicContact CG2-CD2 3.87Å; L60-T66 WeakPolarHBondContact O-CA 3.46Å; L60-Y67 PolarHBondContact N-O 3.37Å; L60-Y67 PolarHBondContact O-N 3.12Å; L60-L69 HydrophobicContact CD1-CB 3.83Å; L60-L69 HydrophobicContact CD1-CD1 4.16Å; L60-L69 HydrophobicContact CD2-CB 4.4Å; L60-L69 HydrophobicContact CG-CB 4.06Å; L60-I120 HydrophobicContact CD1-CD1 3.9Å |
| 61 | Q | 91.6 | Very high | 86.1 | Confident | 70 Ų | 70 | 33.2 Ų | 33.2 | 33% | 0.327 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.9 | 173.4 | -179.9 | 172.1 | -1.4 | 0 | 0 | 110.6 | T45 Y59 G63 Q65 T66 | T45-Q61 PolarHBondContact N-O 3.21Å; T45-Q61 PolarHBondContact O-N 3.18Å; Y59-Q61 HydrophobicContact CD1-CB 4.46Å; Y59-Q61 HydrophobicContact CE1-CB 3.63Å; Y59-Q61 PolarHBondContact OH-OE1 3.25Å; Q61-G63 PolarHBondContact NE2-O 2.92Å; Q61-Q65 WeakPolarHBondContact CA-O 3.37Å; Q61-T66 HydrophobicContact CB-CG2 4.46Å; Q61-T66 HydrophobicContact CG-CG2 4.18Å |
| 62 | K | 88.8 | Confident | 87.2 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 108.2 | 172 | -173.7 | 166.9 | 179.7 | 165.3 | 0 | 108.1 | E26 N30 F36 A42 L44 F64 Q65 | E26-K62 IonicContact OE1-NZ 3.77Å; E26-K62 PolarHBondContact OE1-NZ 2.81Å; N30-K62 PolarHBondContact OD1-NZ 3.1Å; N30-K62 VanDerWaalsContact OD1-NZ 3.12Å; F36-K62 HydrophobicContact CD1-CD 4.11Å; F36-K62 HydrophobicContact CE1-CD 3.64Å; F36-K62 HydrophobicContact CE2-CB 4.1Å; F36-K62 HydrophobicContact CE2-CD 4.17Å; F36-K62 HydrophobicContact CZ-CB 4.24Å; F36-K62 HydrophobicContact CZ-CD 3.69Å; A42-K62 HydrophobicContact CB-CG 4.18Å; A42-K62 WeakPolarHBondContact O-CE 3.39Å; L44-K62 HydrophobicContact CD1-CB 4.29Å; K62-F64 PolarHBondContact O-N 3.22Å; K62-Q65 PolarHBondContact N-O 3.32Å; K62-Q65 PolarHBondContact O-N 2.73Å; K62-Q65 VanDerWaalsContact O-N 3.07Å |
| 63 | G | 87.4 | Confident | 88.5 | Confident | 22 Ų | 22 | 33 Ų | 33 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -126.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E39 Q61 | E39-G63 WeakPolarHBondContact OE2-CA 3.48Å; Q61-G63 PolarHBondContact NE2-O 2.92Å |
| 64 | F | 85 | Confident | 89.1 | Confident | 185 Ų | 185 | 31.3 Ų | 31.3 | 81% | 0.811 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.2 | 174.2 | -60.3 | -74.6 | 0 | 0 | 0 | 114.2 | K62 | K62-F64 PolarHBondContact O-N 3.22Š|
| 65 | Q | 89 | Confident | 89.1 | Confident | 46 Ų | 46 | 32.3 Ų | 32.3 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.3 | -177.5 | -57.7 | 178.3 | 24 | 0 | 0 | 110.4 | G35 Q61 K62 Y67 | G35-Q65 PolarHBondContact O-NE2 3.43Å; G35-Q65 PolarHBondContact O-OE1 3.43Å; Q61-Q65 WeakPolarHBondContact CA-O 3.37Å; K62-Q65 PolarHBondContact N-O 3.32Å; K62-Q65 PolarHBondContact O-N 2.73Å; K62-Q65 VanDerWaalsContact O-N 3.07Å; Q65-Y67 HydrophobicContact CB-CE2 3.69Å; Q65-Y67 PolarHBondContact OE1-OH 3.13Å |
| 66 | T | 92.8 | Very high | 88.4 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.3 | -177.5 | 63.1 | 0 | 0 | 0 | 0 | 111 | Y59 L60 Q61 H123 | Y59-T66 HydrophobicContact CE2-CG2 4.07Å; Y59-T66 WeakPolarHBondContact OH-CG2 3.3Å; L60-T66 WeakPolarHBondContact O-CA 3.46Å; Q61-T66 HydrophobicContact CB-CG2 4.46Å; Q61-T66 HydrophobicContact CG-CG2 4.18Å; T66-H123 PolarHBondContact OG1-ND1 2.89Å |
| 67 | Y | 94.8 | Very high | 87.6 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 11% | 0.106 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 162.7 | -176.1 | -54.2 | -84.8 | 0 | 0 | 0 | 110.9 | L33 F36 L60 Q65 I105 I120 | L33-Y67 HydrophobicContact CD2-CD1 4.14Å; L33-Y67 HydrophobicContact CD2-CD2 4.37Å; L33-Y67 HydrophobicContact CD2-CE1 3.7Å; L33-Y67 HydrophobicContact CD2-CE2 3.97Å; L33-Y67 HydrophobicContact CD2-CG 4.43Å; F36-Y67 HydrophobicContact CD2-CD2 4.2Å; F36-Y67 AromaticContact CD2-CE2 3.58Å; F36-Y67 HydrophobicContact CD2-CE2 3.58Å; F36-Y67 HydrophobicContact CE2-CD2 4.12Å; F36-Y67 AromaticContact CE2-CE2 3.93Å; F36-Y67 HydrophobicContact CE2-CE2 3.93Å; L60-Y67 PolarHBondContact N-O 3.37Å; L60-Y67 PolarHBondContact O-N 3.12Å; Q65-Y67 HydrophobicContact CB-CE2 3.69Å; Q65-Y67 PolarHBondContact OE1-OH 3.13Å; Y67-I105 HydrophobicContact CD1-CD1 3.65Å; Y67-I105 HydrophobicContact CE1-CD1 3.76Å; Y67-I120 HydrophobicContact CD1-CG2 4.02Å; Y67-I120 HydrophobicContact CG-CG2 4.18Å |
| 68 | V | 95 | Very high | 86.3 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.8 | 169.8 | -178 | 0 | 0 | 0 | 0 | 109.4 | Y49 T57 F58 I120 M121 H123 | Y49-V68 HydrophobicContact CE2-CG1 4.28Å; Y49-V68 HydrophobicContact CE2-CG2 4.26Å; T57-V68 HydrophobicContact CG2-CG1 3.34Å; F58-V68 CarbonylContact O-C 3.5Å; F58-V68 WeakPolarHBondContact O-CA 3.43Å; V68-I120 WeakPolarHBondContact O-CA 3.39Å; V68-M121 HydrophobicContact CB-CE 3.81Å; V68-M121 HydrophobicContact CB-CG 3.87Å; V68-M121 HydrophobicContact CG1-CE 3.45Å; V68-M121 VanDerWaalsContact CG1-CE 3.45Å; V68-M121 HydrophobicContact CG1-CG 4.43Å; V68-M121 PolarHBondContact N-O 3.49Å; V68-M121 PolarHBondContact O-N 3.17Å; V68-H123 HydrophobicContact CG2-CB 3.97Å |
| 69 | L | 94.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.5 | 171.8 | -178.6 | 157.4 | 0 | 0 | 0 | 109.2 | L25 T57 F58 L60 K71 I114 F118 Y119 I120 | L25-L69 HydrophobicContact CD1-CD1 3.75Å; L25-L69 HydrophobicContact CD2-CD1 3.54Å; L25-L69 HydrophobicContact CG-CD1 4.32Å; T57-L69 CarbonylContact C-O 3.56Å; T57-L69 WeakPolarHBondContact CA-O 3.19Å; F58-L69 HydrophobicContact CB-CB 4.35Å; F58-L69 HydrophobicContact CD2-CD2 3.64Å; F58-L69 HydrophobicContact CE2-CD2 4.25Å; F58-L69 HydrophobicContact CG-CD2 4.46Å; F58-L69 PolarHBondContact N-O 3.37Å; F58-L69 PolarHBondContact O-N 3.08Å; L60-L69 HydrophobicContact CD1-CB 3.83Å; L60-L69 HydrophobicContact CD1-CD1 4.16Å; L60-L69 HydrophobicContact CD2-CB 4.4Å; L60-L69 HydrophobicContact CG-CB 4.06Å; L69-K71 HydrophobicContact CD2-CB 3.89Å; L69-K71 HydrophobicContact CD2-CD 4.44Å; L69-K71 HydrophobicContact CD2-CG 4.48Å; L69-I114 HydrophobicContact CD1-CD1 4.46Å; L69-F118 HydrophobicContact CD1-CD2 3.85Å; L69-F118 HydrophobicContact CD1-CE2 4.3Å; L69-F118 HydrophobicContact CD1-CG 4.38Å; L69-F118 HydrophobicContact CD2-CB 4.22Å; L69-F118 HydrophobicContact CG-CB 4.32Å; L69-F118 HydrophobicContact CG-CD2 4.04Å; L69-F118 HydrophobicContact CG-CG 4.49Å; L69-Y119 WeakPolarHBondContact CA-O 3.47Å; L69-I120 HydrophobicContact CB-CD1 3.59Å; L69-I120 HydrophobicContact CD1-CD1 3.72Å; L69-I120 HydrophobicContact CG-CD1 3.69Å |
| 70 | R | 93.6 | Very high | 83.6 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 4% | 0.038 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.8 | 171.7 | -156.5 | 170.1 | -165.6 | 178.8 | -4.3 | 108.9 | N55 T57 E87 F118 Y119 D242 | N55-R70 HydrophobicContact CB-CG 3.99Å; N55-R70 PolarHBondContact O-NE 3.45Å; T57-R70 PolarHBondContact OG1-NE 3.09Å; R70-E87 WeakPolarHBondContact CD-OE1 3.43Å; R70-E87 IonicContact CZ-OE1 3.39Å; R70-E87 IonicContact CZ-OE2 2.77Å; R70-E87 IonicContact NE-OE1 2.78Å; R70-E87 IonicContact NE-OE2 2.86Å; R70-E87 IonicContact NH1-OE1 3.09Å; R70-E87 PolarHBondContact NH1-OE1 2.92Å; R70-E87 IonicContact NH1-OE2 3.81Å; R70-F118 CarbonylContact O-C 3.58Å; R70-F118 VanDerWaalsContact O-CA 3.3Å; R70-F118 WeakPolarHBondContact O-CA 3.27Å; R70-F118 WeakPolarHBondContact O-CB 3.38Å; R70-Y119 HydrophobicContact CB-CD1 4.2Å; R70-Y119 HydrophobicContact CB-CE1 3.67Å; R70-Y119 HydrophobicContact CB-CE2 4.16Å; R70-Y119 VanDerWaalsContact CD-OH 3.25Å; R70-Y119 WeakPolarHBondContact CD-OH 3.45Å; R70-Y119 HydrophobicContact CG-CE1 4.2Å; R70-Y119 PolarHBondContact N-O 3.28Å; R70-Y119 PolarHBondContact O-N 3.33Å; R70-D242 IonicContact CZ-OD1 2.73Å; R70-D242 IonicContact NH1-OD1 3.39Å; R70-D242 PolarHBondContact NH1-OD1 3.38Å; R70-D242 VanDerWaalsContact NH1-OD1 3.15Å; R70-D242 IonicContact NH2-OD1 3.89Å; R70-D242 PolarHBondContact NH2-OD1 3.29Å; R70-D242 IonicContact NH2-OD2 3.8Å |
| 71 | K | 91.2 | Very high | 82.2 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 156.9 | -176 | 81.8 | -172.9 | -170.7 | 74.2 | 0 | 111.8 | H18 F20 P56 F58 L69 I114 T116 E117 F118 | H18-K71 WeakPolarHBondContact O-CE 3.24Å; F20-K71 HydrophobicContact CD1-CD 3.82Å; F20-K71 HydrophobicContact CE1-CD 3.96Å; P56-K71 HydrophobicContact CB-CG 4.21Å; P56-K71 WeakPolarHBondContact CD-O 3.4Å; P56-K71 PolarHBondContact O-N 3.48Å; F58-K71 HydrophobicContact CE2-CD 3.64Å; F58-K71 HydrophobicContact CE2-CG 3.92Å; F58-K71 HydrophobicContact CZ-CD 4.12Å; L69-K71 HydrophobicContact CD2-CB 3.89Å; L69-K71 HydrophobicContact CD2-CD 4.44Å; L69-K71 HydrophobicContact CD2-CG 4.48Å; K71-I114 HydrophobicContact CB-CD1 4.38Å; K71-I114 HydrophobicContact CD-CD1 4.29Å; K71-T116 HydrophobicContact CB-CG2 3.84Å; K71-T116 HydrophobicContact CD-CG2 3.82Å; K71-T116 HydrophobicContact CG-CG2 3.93Å; K71-E117 WeakPolarHBondContact CA-O 3.44Å; K71-F118 HydrophobicContact CB-CB 3.8Å |
| 72 | K | 88.8 | Confident | 81.6 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 137.5 | 173.9 | 177.6 | -179.1 | -173.8 | 180 | 0 | 110.2 | L77 H82 I84 T116 E117 | K72-L77 HydrophobicContact CD-CD1 4.39Å; K72-L77 HydrophobicContact CG-CD1 3.82Å; K72-H82 HydrophobicContact CG-CB 4.23Å; K72-I84 HydrophobicContact CB-CD1 4.2Å; K72-I84 HydrophobicContact CB-CG1 4.43Å; K72-I84 HydrophobicContact CB-CG2 4.08Å; K72-T116 WeakPolarHBondContact CB-OG1 3.36Å; K72-T116 WeakPolarHBondContact O-CG2 3.18Å; K72-T116 PolarHBondContact O-OG1 3.37Å; K72-E117 PolarHBondContact N-O 3.14Å; K72-E117 VanDerWaalsContact N-O 3.1Å; K72-E117 IonicContact NZ-OE1 2.77Å |
| 73 | P | 84.9 | Confident | 81.4 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 150.5 | -179.9 | -19.3 | 29.6 | 0 | 0 | 0 | 112.1 | S54 L77 H82 | S54-P73 WeakPolarHBondContact O-CG 3.32Å; P73-L77 HydrophobicContact CB-CD2 4.12Å; P73-H82 HydrophobicContact CG-CB 4.32Å |
| 74 | P | 76.4 | Confident | 81.5 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -75.8 | 156.3 | 172.8 | 29.5 | -27.1 | 0 | 0 | 0 | 111.5 | Q17 | Q17-P74 VanDerWaalsContact O-CG 3.26Å; Q17-P74 WeakPolarHBondContact O-CG 3.46Å |
| 75 | G | 74 | Confident | 81.7 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 102.1 | -176.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L77 | G75-L77 PolarHBondContact O-N 2.87Š|
| 76 | S | 68.6 | Low | 81.8 | Confident | 137 Ų | 137 | 60 Ų | 60 | 96% | 0.958 | 34% | 0.338 | S | S | * | . | trans | -76.9 | 102.1 | 178.9 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 77 | L | 69.9 | Low | 81.8 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 153.1 | -176.7 | -54.7 | 177.9 | 0 | 0 | 0 | 112.3 | K72 P73 G75 H82 | K72-L77 HydrophobicContact CD-CD1 4.39Å; K72-L77 HydrophobicContact CG-CD1 3.82Å; P73-L77 HydrophobicContact CB-CD2 4.12Å; G75-L77 PolarHBondContact O-N 2.87Å; L77-H82 HydrophobicContact CD1-CB 4.03Å |
| 78 | L | 65.6 | Low | 81.8 | Confident | 138 Ų | 138 | 58 Ų | 58 | 72% | 0.723 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 141.4 | 173.5 | -72.9 | 171.7 | 0 | 0 | 0 | 111 | K80 A81 | L78-K80 PolarHBondContact O-N 2.9Å; L78-A81 HydrophobicContact CB-CB 4.19Å; L78-A81 WeakPolarHBondContact O-CB 3.23Å; L78-A81 PolarHBondContact O-N 2.9Å; L78-A81 VanDerWaalsContact O-N 3.1Å |
| 79 | P | 62.6 | Low | 81.8 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 77% | 0.773 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 128.7 | 176.5 | -25.1 | 33.5 | 0 | 0 | 0 | 111.7 | A81 | P79-A81 VanDerWaalsContact C-N 3.31Å; P79-A81 PolarHBondContact O-N 3.3Å |
| 80 | K | 67.1 | Low | 81.8 | Confident | 182 Ų | 182 | 62.2 Ų | 62.2 | 79% | 0.791 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 3.2 | -178.6 | -50.5 | 177.9 | 178.6 | 179.3 | 0 | 116.8 | L78 | L78-K80 PolarHBondContact O-N 2.9Š|
| 81 | A | 65.6 | Low | 81.9 | Confident | 37 Ų | 37 | 61.9 Ų | 61.9 | 31% | 0.306 | 34% | 0.343 | S | S | . | . | trans | -80.2 | 157.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L78 P79 K83 | L78-A81 HydrophobicContact CB-CB 4.19Å; L78-A81 WeakPolarHBondContact O-CB 3.23Å; L78-A81 PolarHBondContact O-N 2.9Å; L78-A81 VanDerWaalsContact O-N 3.1Å; P79-A81 VanDerWaalsContact C-N 3.31Å; P79-A81 PolarHBondContact O-N 3.3Å; A81-K83 PolarHBondContact O-N 3.17Å | ||
| 82 | H | 78.8 | Confident | 82.1 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | trans | 56.2 | 41.2 | 171.1 | -50.6 | -68.4 | 0 | 0 | 0 | 115.3 | S54 N55 K72 P73 L77 I84 E244 | S54-H82 PolarHBondContact O-CE1 3.34Å; S54-H82 PolarHBondContact O-ND1 3.2Å; S54-H82 VanDerWaalsContact O-ND1 3.12Å; S54-H82 PolarHBondContact OG-CE1 3.14Å; S54-H82 VanDerWaalsContact OG-CE1 3.23Å; S54-H82 PolarHBondContact OG-ND1 2.95Å; N55-H82 WeakPolarHBondContact OD1-CB 3.07Å; N55-H82 PolarHBondContact OD1-ND1 3.38Å; K72-H82 HydrophobicContact CG-CB 4.23Å; P73-H82 HydrophobicContact CG-CB 4.32Å; L77-H82 HydrophobicContact CD1-CB 4.03Å; H82-I84 PolarHBondContact O-N 3.49Å; H82-I84 VanDerWaalsContact O-N 3.07Å; H82-E244 IonicContact CE1-OE1 3.3Å; H82-E244 IonicContact ND1-OE1 3.69Å; H82-E244 PolarHBondContact ND1-OE1 3.34Å | ||
| 83 | K | 84.6 | Confident | 82.4 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | trans | -80.2 | 79.4 | 176.7 | -71.7 | -164.3 | 174 | -158.5 | 0 | 111.4 | A81 D85 R86 E87 | A81-K83 PolarHBondContact O-N 3.17Å; K83-D85 WeakPolarHBondContact CB-OD1 3.41Å; K83-D85 PolarHBondContact O-N 3.11Å; K83-R86 HydrophobicContact CB-CB 3.93Å; K83-R86 WeakPolarHBondContact O-CB 3.45Å; K83-R86 PolarHBondContact O-N 3.29Å; K83-E87 PolarHBondContact O-N 3.41Å | ||
| 84 | I | 88.9 | Confident | 83 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.8 | -25.4 | -177.2 | 67.4 | 164.8 | 0 | 0 | 0 | 113.2 | K72 H82 R86 E87 F88 Y107 E117 F118 Y119 | K72-I84 HydrophobicContact CB-CD1 4.2Å; K72-I84 HydrophobicContact CB-CG1 4.43Å; K72-I84 HydrophobicContact CB-CG2 4.08Å; H82-I84 PolarHBondContact O-N 3.49Å; H82-I84 VanDerWaalsContact O-N 3.07Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-E87 WeakPolarHBondContact O-CB 3.5Å; I84-E87 PolarHBondContact O-N 2.93Å; I84-F88 PolarHBondContact O-N 3.37Å; I84-Y107 HydrophobicContact CD1-CE2 4.34Å; I84-Y107 HydrophobicContact CG1-CE2 4.24Å; I84-E117 HydrophobicContact CD1-CB 3.52Å; I84-E117 WeakPolarHBondContact CD1-O 3.5Å; I84-E117 HydrophobicContact CG1-CB 4.12Å; I84-F118 VanDerWaalsContact CD1-CA 3.4Å; I84-F118 VanDerWaalsContact CD1-N 3.34Å; I84-Y119 HydrophobicContact CB-CD1 4.25Å; I84-Y119 HydrophobicContact CB-CE1 4.48Å |
| 85 | D | 90 | Very high | 83.9 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 173.7 | 65.6 | -52 | 0 | 0 | 0 | 110.8 | K83 F88 K89 Y107 | K83-D85 WeakPolarHBondContact CB-OD1 3.41Å; K83-D85 PolarHBondContact O-N 3.11Å; D85-F88 PolarHBondContact O-N 3Å; D85-K89 WeakPolarHBondContact O-CB 3.46Å; D85-K89 PolarHBondContact O-N 2.97Å; D85-Y107 HydrophobicContact CB-CE1 4.42Å; D85-Y107 HydrophobicContact CB-CE2 4.01Å |
| 86 | R | 91.1 | Very high | 84.9 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 177.6 | -174.1 | -179.7 | 178.6 | -152.1 | -3.3 | 111.2 | K83 I84 K89 V90 Y169 S246 | K83-R86 HydrophobicContact CB-CB 3.93Å; K83-R86 WeakPolarHBondContact O-CB 3.45Å; K83-R86 PolarHBondContact O-N 3.29Å; I84-R86 VanDerWaalsContact C-N 3.32Å; R86-K89 PolarHBondContact O-N 2.93Å; R86-V90 PolarHBondContact O-N 2.91Å; R86-V90 VanDerWaalsContact O-N 3.14Å; R86-Y169 HydrophobicContact CB-CE2 4.47Å; R86-Y169 HydrophobicContact CG-CD2 3.89Å; R86-Y169 HydrophobicContact CG-CE2 3.18Å; R86-Y169 VanDerWaalsContact CZ-O 3.28Å; R86-Y169 PolarHBondContact NE-O 3.21Å; R86-Y169 PolarHBondContact NH2-O 3.41Å; R86-S246 PolarHBondContact NH2-O 3.02Å |
| 87 | E | 91.9 | Very high | 86.2 | Confident | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.5 | -161.8 | -169.6 | 144.3 | 0 | 0 | 111.7 | N55 R70 K83 I84 V90 Q91 Y119 W243 | N55-E87 PolarHBondContact ND2-OE2 3.37Å; R70-E87 WeakPolarHBondContact CD-OE1 3.43Å; R70-E87 IonicContact CZ-OE1 3.39Å; R70-E87 IonicContact CZ-OE2 2.77Å; R70-E87 IonicContact NE-OE1 2.78Å; R70-E87 IonicContact NE-OE2 2.86Å; R70-E87 IonicContact NH1-OE1 3.09Å; R70-E87 PolarHBondContact NH1-OE1 2.92Å; R70-E87 IonicContact NH1-OE2 3.81Å; K83-E87 PolarHBondContact O-N 3.41Å; I84-E87 WeakPolarHBondContact O-CB 3.5Å; I84-E87 PolarHBondContact O-N 2.93Å; E87-V90 VanDerWaalsContact O-CG1 3.29Å; E87-V90 WeakPolarHBondContact O-CG1 3.44Å; E87-Q91 WeakPolarHBondContact O-CG 3.27Å; E87-Q91 PolarHBondContact O-N 3.41Å; E87-Q91 PolarHBondContact O-NE2 2.88Å; E87-Y119 HydrophobicContact CB-CE1 4.36Å; E87-Y119 HydrophobicContact CG-CE1 4.42Å; E87-Y119 PolarHBondContact OE1-OH 3.34Å; E87-W243 HydrophobicContact CG-CB 3.87Å |
| 88 | F | 94.4 | Very high | 87.4 | Confident | 26 Ų | 26 | 63 Ų | 63 | 11% | 0.114 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 174.2 | -179.3 | -98.2 | 0 | 0 | 0 | 111.9 | I84 D85 V90 Q91 K92 P104 Y107 Y119 | I84-F88 PolarHBondContact O-N 3.37Å; D85-F88 PolarHBondContact O-N 3Å; F88-V90 PolarHBondContact O-N 3.22Å; F88-Q91 PolarHBondContact O-N 3.46Å; F88-K92 HydrophobicContact CE1-CD 4.24Å; F88-K92 WeakPolarHBondContact O-CB 3.36Å; F88-K92 PolarHBondContact O-N 3.14Å; F88-P104 HydrophobicContact CD2-CB 3.85Å; F88-P104 HydrophobicContact CE2-CB 3.55Å; F88-P104 HydrophobicContact CZ-CB 4.21Å; F88-Y107 HydrophobicContact CD1-CG 4.25Å; F88-Y107 HydrophobicContact CG-CG 4.45Å; F88-Y119 HydrophobicContact CB-CD1 4.21Å; F88-Y119 HydrophobicContact CB-CG 4.18Å; F88-Y119 AromaticContact CD2-CD2 3.88Å; F88-Y119 HydrophobicContact CD2-CD2 3.88Å; F88-Y119 AromaticContact CD2-CG 3.86Å; F88-Y119 HydrophobicContact CD2-CG 3.86Å; F88-Y119 HydrophobicContact CG-CG 4.46Å |
| 89 | K | 94.3 | Very high | 88.9 | Confident | 96 Ų | 96 | 56.5 Ų | 56.5 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | -179.9 | -170.3 | -178.6 | 179.1 | -173.8 | 0 | 112.2 | D85 R86 K92 A93 Q165 L166 | D85-K89 WeakPolarHBondContact O-CB 3.46Å; D85-K89 PolarHBondContact O-N 2.97Å; R86-K89 PolarHBondContact O-N 2.93Å; K89-K92 PolarHBondContact O-N 3.47Å; K89-A93 PolarHBondContact O-N 3.35Å; K89-A93 VanDerWaalsContact O-N 3.1Å; K89-Q165 WeakPolarHBondContact CE-O 3.37Å; K89-Q165 PolarHBondContact NZ-O 3.36Å; K89-L166 HydrophobicContact CD-CD2 4.27Å; K89-L166 HydrophobicContact CG-CD2 4.04Å |
| 90 | V | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.2 | -41.3 | -179.3 | 66.4 | 0 | 0 | 0 | 0 | 112.2 | R86 E87 F88 K92 A93 L94 L166 Y169 L218 W243 | R86-V90 PolarHBondContact O-N 2.91Å; R86-V90 VanDerWaalsContact O-N 3.14Å; E87-V90 VanDerWaalsContact O-CG1 3.29Å; E87-V90 WeakPolarHBondContact O-CG1 3.44Å; F88-V90 PolarHBondContact O-N 3.22Å; V90-K92 VanDerWaalsContact C-N 3.28Å; V90-K92 PolarHBondContact O-N 2.95Å; V90-A93 PolarHBondContact O-N 3.1Å; V90-L94 HydrophobicContact CG2-CD1 3.93Å; V90-L94 HydrophobicContact CG2-CG 4.34Å; V90-L94 WeakPolarHBondContact O-CB 3.29Å; V90-L94 VanDerWaalsContact O-CG 3.27Å; V90-L94 WeakPolarHBondContact O-CG 3.5Å; V90-L94 PolarHBondContact O-N 2.77Å; V90-L166 HydrophobicContact CG2-CD1 4.01Å; V90-Y169 HydrophobicContact CB-CE2 3.89Å; V90-Y169 HydrophobicContact CG1-CE2 4.45Å; V90-Y169 WeakPolarHBondContact CG1-OH 3.41Å; V90-Y169 HydrophobicContact CG2-CE1 4.47Å; V90-L218 HydrophobicContact CG2-CD1 4.09Å; V90-L218 HydrophobicContact CG2-CD2 4.01Å; V90-W243 HydrophobicContact CG1-CB 3.82Å; V90-W243 HydrophobicContact CG1-CD2 4.5Å; V90-W243 HydrophobicContact CG1-CE3 4.38Å; V90-W243 HydrophobicContact CG1-CG 4.28Å; V90-W243 HydrophobicContact CG2-CE3 4.22Å |
| 91 | Q | 95.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 174.6 | -74.4 | -178.6 | 87.6 | 0 | 0 | 111.4 | E87 F88 A93 L94 F95 V101 P104 Y119 W243 | E87-Q91 WeakPolarHBondContact O-CG 3.27Å; E87-Q91 PolarHBondContact O-N 3.41Å; E87-Q91 PolarHBondContact O-NE2 2.88Å; F88-Q91 PolarHBondContact O-N 3.46Å; Q91-A93 PolarHBondContact O-N 3.44Å; Q91-L94 PolarHBondContact O-N 2.78Å; Q91-F95 VanDerWaalsContact O-CB 3.3Å; Q91-F95 WeakPolarHBondContact O-CB 3.3Å; Q91-F95 PolarHBondContact O-N 3.26Å; Q91-V101 WeakPolarHBondContact O-CG2 3.4Å; Q91-P104 HydrophobicContact CB-CB 4.44Å; Q91-P104 HydrophobicContact CB-CG 4.31Å; Q91-Y119 PolarHBondContact NE2-OH 3.24Å; Q91-W243 HydrophobicContact CG-CB 4.4Å; Q91-W243 HydrophobicContact CG-CG 3.95Å |
| 92 | K | 95.4 | Very high | 93.4 | Very high | 130 Ų | 130 | 42 Ų | 42 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.9 | -41.7 | 177.3 | -170.6 | 176.7 | -179.9 | 179.9 | 0 | 112.1 | F88 K89 V90 S96 P104 | F88-K92 HydrophobicContact CE1-CD 4.24Å; F88-K92 WeakPolarHBondContact O-CB 3.36Å; F88-K92 PolarHBondContact O-N 3.14Å; K89-K92 PolarHBondContact O-N 3.47Å; V90-K92 VanDerWaalsContact C-N 3.28Å; V90-K92 PolarHBondContact O-N 2.95Å; K92-S96 PolarHBondContact O-N 3.35Å; K92-S96 PolarHBondContact O-OG 3.04Å; K92-P104 VanDerWaalsContact CA-CG 3.44Å; K92-P104 HydrophobicContact CB-CG 3.85Å; K92-P104 HydrophobicContact CG-CG 4.33Å |
| 93 | A | 95.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | K89 V90 Q91 S96 L164 L166 | K89-A93 PolarHBondContact O-N 3.35Å; K89-A93 VanDerWaalsContact O-N 3.1Å; V90-A93 PolarHBondContact O-N 3.1Å; Q91-A93 PolarHBondContact O-N 3.44Å; A93-S96 PolarHBondContact O-OG 2.88Å; A93-L164 HydrophobicContact CB-CB 4.29Å; A93-L164 VanDerWaalsContact CB-O 3.26Å; A93-L164 WeakPolarHBondContact CB-O 3.28Å; A93-L166 HydrophobicContact CB-CD1 4.28Å; A93-L166 HydrophobicContact CB-CD2 4.09Å; A93-L166 HydrophobicContact CB-CG 4.12Å |
| 94 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.7 | -43.3 | 177.8 | -73 | 169.1 | 0 | 0 | 0 | 112 | V90 Q91 S96 V97 G98 F99 V101 L156 L159 L218 W243 | V90-L94 HydrophobicContact CG2-CD1 3.93Å; V90-L94 HydrophobicContact CG2-CG 4.34Å; V90-L94 WeakPolarHBondContact O-CB 3.29Å; V90-L94 VanDerWaalsContact O-CG 3.27Å; V90-L94 WeakPolarHBondContact O-CG 3.5Å; V90-L94 PolarHBondContact O-N 2.77Å; Q91-L94 PolarHBondContact O-N 2.78Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.31Å; L94-V97 VanDerWaalsContact O-CG2 3.23Å; L94-V97 WeakPolarHBondContact O-CG2 3.09Å; L94-V97 PolarHBondContact O-N 2.95Å; L94-G98 PolarHBondContact O-N 3.39Å; L94-F99 HydrophobicContact CB-CB 4.13Å; L94-F99 HydrophobicContact CB-CD1 4.17Å; L94-F99 HydrophobicContact CD1-CD1 4.29Å; L94-F99 HydrophobicContact CD2-CB 4.04Å; L94-F99 HydrophobicContact CD2-CD1 3.89Å; L94-F99 HydrophobicContact CD2-CG 3.96Å; L94-F99 HydrophobicContact CG-CD1 4.35Å; L94-F99 WeakPolarHBondContact O-CB 3.47Å; L94-F99 PolarHBondContact O-N 3.23Å; L94-V101 HydrophobicContact CB-CG1 4.12Å; L94-V101 HydrophobicContact CB-CG2 3.94Å; L94-V101 HydrophobicContact CD1-CG1 4.02Å; L94-L156 HydrophobicContact CD2-CD1 3.93Å; L94-L159 HydrophobicContact CD2-CD1 3.44Å; L94-L159 VanDerWaalsContact CD2-CD1 3.44Å; L94-L218 HydrophobicContact CD1-CD2 4.4Å; L94-L218 HydrophobicContact CD2-CD2 3.75Å; L94-L218 HydrophobicContact CG-CD2 4.26Å; L94-W243 HydrophobicContact CD1-CD2 3.92Å; L94-W243 HydrophobicContact CD1-CE3 3.73Å; L94-W243 HydrophobicContact CD1-CH2 3.24Å; L94-W243 HydrophobicContact CD1-CZ2 3.42Å; L94-W243 VanDerWaalsContact CD1-CZ2 3.42Å; L94-W243 HydrophobicContact CD1-CZ3 3.4Å; L94-W243 VanDerWaalsContact CD1-CZ3 3.4Å |
| 95 | F | 96.1 | Very high | 95 | Very high | 90 Ų | 90 | 43.9 Ų | 43.9 | 40% | 0.395 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 177.6 | -172.8 | -93.7 | 0 | 0 | 0 | 111.7 | Q91 V97 G98 V101 K103 P104 | Q91-F95 VanDerWaalsContact O-CB 3.3Å; Q91-F95 WeakPolarHBondContact O-CB 3.3Å; Q91-F95 PolarHBondContact O-N 3.26Å; F95-V97 PolarHBondContact O-N 3.07Å; F95-G98 PolarHBondContact O-N 3.03Å; F95-G98 VanDerWaalsContact O-N 3.09Å; F95-V101 HydrophobicContact CB-CG2 3.81Å; F95-V101 HydrophobicContact CD2-CG2 4.38Å; F95-K103 HydrophobicContact CD1-CG 4.4Å; F95-K103 HydrophobicContact CD2-CB 4.07Å; F95-K103 HydrophobicContact CD2-CG 4.37Å; F95-K103 HydrophobicContact CE1-CD 4.24Å; F95-K103 HydrophobicContact CE1-CG 3.91Å; F95-K103 HydrophobicContact CE2-CB 3.58Å; F95-K103 HydrophobicContact CE2-CD 4.41Å; F95-K103 HydrophobicContact CE2-CG 3.87Å; F95-K103 HydrophobicContact CZ-CB 3.85Å; F95-K103 HydrophobicContact CZ-CD 3.83Å; F95-K103 HydrophobicContact CZ-CG 3.62Å; F95-P104 HydrophobicContact CB-CG 4.45Å |
| 96 | S | 94.8 | Very high | 95.2 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 64% | 0.643 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -66.8 | -23.6 | -178.8 | 63.8 | 0 | 0 | 0 | 0 | 114 | K92 A93 L94 | K92-S96 PolarHBondContact O-N 3.35Å; K92-S96 PolarHBondContact O-OG 3.04Å; A93-S96 PolarHBondContact O-OG 2.88Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.31Å |
| 97 | V | 95.3 | Very high | 95.4 | Very high | 63 Ų | 63 | 41.6 Ų | 41.6 | 38% | 0.382 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 7.9 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | L94 F95 F99 L159 L164 | L94-V97 VanDerWaalsContact O-CG2 3.23Å; L94-V97 WeakPolarHBondContact O-CG2 3.09Å; L94-V97 PolarHBondContact O-N 2.95Å; F95-V97 PolarHBondContact O-N 3.07Å; V97-F99 VanDerWaalsContact C-N 3.34Å; V97-F99 HydrophobicContact CG2-CB 4.32Å; V97-L159 HydrophobicContact CG2-CD1 4.36Å; V97-L159 HydrophobicContact CG2-CD2 4.2Å; V97-L164 HydrophobicContact CB-CD2 4.41Å; V97-L164 HydrophobicContact CG1-CD2 3.74Å; V97-L164 HydrophobicContact CG2-CD2 3.79Å |
| 98 | G | 94.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 59% | 0.588 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 18.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L94 F95 | L94-G98 PolarHBondContact O-N 3.39Å; F95-G98 PolarHBondContact O-N 3.03Å; F95-G98 VanDerWaalsContact O-N 3.09Å |
| 99 | F | 97.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | trans | -74.5 | 138 | 170.7 | -173.5 | -90.7 | 0 | 0 | 0 | 109.7 | L94 V97 V101 T152 Q155 L156 L159 V240 W243 | L94-F99 HydrophobicContact CB-CB 4.13Å; L94-F99 HydrophobicContact CB-CD1 4.17Å; L94-F99 HydrophobicContact CD1-CD1 4.29Å; L94-F99 HydrophobicContact CD2-CB 4.04Å; L94-F99 HydrophobicContact CD2-CD1 3.89Å; L94-F99 HydrophobicContact CD2-CG 3.96Å; L94-F99 HydrophobicContact CG-CD1 4.35Å; L94-F99 WeakPolarHBondContact O-CB 3.47Å; L94-F99 PolarHBondContact O-N 3.23Å; V97-F99 VanDerWaalsContact C-N 3.34Å; V97-F99 HydrophobicContact CG2-CB 4.32Å; F99-V101 HydrophobicContact CD1-CG1 3.93Å; F99-V101 HydrophobicContact CE1-CG1 4.24Å; F99-V101 PolarHBondContact O-N 3.37Å; F99-T152 HydrophobicContact CE2-CG2 4.12Å; F99-T152 HydrophobicContact CZ-CG2 3.79Å; F99-Q155 HydrophobicContact CD2-CG 4.11Å; F99-Q155 HydrophobicContact CE2-CB 4.29Å; F99-Q155 HydrophobicContact CE2-CG 4.28Å; F99-L156 HydrophobicContact CE1-CD1 4.36Å; F99-L156 HydrophobicContact CE2-CB 3.61Å; F99-L156 HydrophobicContact CE2-CD1 4.29Å; F99-L156 HydrophobicContact CZ-CB 3.73Å; F99-L156 HydrophobicContact CZ-CD1 4.13Å; F99-L156 HydrophobicContact CZ-CG 4.36Å; F99-L159 HydrophobicContact CB-CD1 4.39Å; F99-L159 HydrophobicContact CD2-CD1 4.22Å; F99-L159 HydrophobicContact CG-CD1 4.36Å; F99-V240 HydrophobicContact CE1-CB 4.34Å; F99-V240 HydrophobicContact CE1-CG2 4.09Å; F99-V240 HydrophobicContact CZ-CG2 4.24Å; F99-W243 HydrophobicContact CD1-CH2 4.49Å; F99-W243 HydrophobicContact CD1-CZ2 4.34Å; F99-W243 AromaticContact CE1-CH2 3.89Å; F99-W243 HydrophobicContact CE1-CH2 3.89Å; F99-W243 AromaticContact CE1-CZ2 3.75Å; F99-W243 HydrophobicContact CE1-CZ2 3.75Å | ||
| 100 | P | 97.2 | Very high | 95.5 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 16% | 0.156 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -71.9 | 93.9 | -172 | 29 | -36.1 | 0 | 0 | 0 | 112 | T152 V237 A239 V240 | P100-T152 HydrophobicContact CG-CG2 3.98Å; P100-V237 HydrophobicContact CB-CG1 4.39Å; P100-V237 HydrophobicContact CG-CG1 4.18Å; P100-A239 CarbonylContact O-C 3.58Å; P100-A239 WeakPolarHBondContact O-CA 3.47Å; P100-V240 PolarHBondContact O-N 3.27Å |
| 101 | V | 97.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | trans | -129.9 | 156.4 | 169.5 | -69.7 | 0 | 0 | 0 | 0 | 109.7 | Q91 L94 F95 F99 K103 W243 | Q91-V101 WeakPolarHBondContact O-CG2 3.4Å; L94-V101 HydrophobicContact CB-CG1 4.12Å; L94-V101 HydrophobicContact CB-CG2 3.94Å; L94-V101 HydrophobicContact CD1-CG1 4.02Å; F95-V101 HydrophobicContact CB-CG2 3.81Å; F95-V101 HydrophobicContact CD2-CG2 4.38Å; F99-V101 HydrophobicContact CD1-CG1 3.93Å; F99-V101 HydrophobicContact CE1-CG1 4.24Å; F99-V101 PolarHBondContact O-N 3.37Å; V101-K103 PolarHBondContact O-N 3.03Å; V101-W243 HydrophobicContact CG1-CZ2 3.63Å | ||
| 102 | P | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 136.4 | 170.1 | -21.3 | 34.1 | 0 | 0 | 0 | 109.9 | P104 M121 V124 A239 L241 | P102-P104 WeakPolarHBondContact O-CD 3.38Å; P102-P104 VanDerWaalsContact O-N 3.11Å; P102-M121 HydrophobicContact CB-CB 4.23Å; P102-M121 HydrophobicContact CB-CG 4.17Å; P102-M121 HydrophobicContact CB-SD 3.74Å; P102-M121 HydrophobicContact CG-SD 4.01Å; P102-V124 HydrophobicContact CB-CG2 3.98Å; P102-V124 HydrophobicContact CG-CG2 4.26Å; P102-A239 HydrophobicContact CG-CB 4.07Å; P102-L241 HydrophobicContact CG-CD2 3.44Å; P102-L241 VanDerWaalsContact CG-CD2 3.44Å |
| 103 | K | 95.6 | Very high | 95.1 | Very high | 100 Ų | 100 | 45.8 Ų | 45.8 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 117.7 | 179.5 | -178.4 | 178.5 | 179 | -178.6 | 0 | 109.7 | F95 V101 I105 M121 E122 | F95-K103 HydrophobicContact CD1-CG 4.4Å; F95-K103 HydrophobicContact CD2-CB 4.07Å; F95-K103 HydrophobicContact CD2-CG 4.37Å; F95-K103 HydrophobicContact CE1-CD 4.24Å; F95-K103 HydrophobicContact CE1-CG 3.91Å; F95-K103 HydrophobicContact CE2-CB 3.58Å; F95-K103 HydrophobicContact CE2-CD 4.41Å; F95-K103 HydrophobicContact CE2-CG 3.87Å; F95-K103 HydrophobicContact CZ-CB 3.85Å; F95-K103 HydrophobicContact CZ-CD 3.83Å; F95-K103 HydrophobicContact CZ-CG 3.62Å; V101-K103 PolarHBondContact O-N 3.03Å; K103-I105 WeakPolarHBondContact O-CG1 3.37Å; K103-I105 PolarHBondContact O-N 2.64Å; K103-M121 CarbonylContact O-C 3.55Å; K103-M121 VanDerWaalsContact O-CA 3.24Å; K103-M121 WeakPolarHBondContact O-CA 3.5Å; K103-M121 WeakPolarHBondContact O-CB 3.09Å; K103-E122 HydrophobicContact CB-CB 3.89Å; K103-E122 VanDerWaalsContact CB-OE2 3.27Å; K103-E122 WeakPolarHBondContact CB-OE2 3.39Å; K103-E122 PolarHBondContact O-N 2.9Å |
| 104 | P | 94.5 | Very high | 94.9 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.1 | 174.3 | 27.9 | -26.8 | 0 | 0 | 0 | 108.9 | F88 Q91 K92 F95 P102 | F88-P104 HydrophobicContact CD2-CB 3.85Å; F88-P104 HydrophobicContact CE2-CB 3.55Å; F88-P104 HydrophobicContact CZ-CB 4.21Å; Q91-P104 HydrophobicContact CB-CB 4.44Å; Q91-P104 HydrophobicContact CB-CG 4.31Å; K92-P104 VanDerWaalsContact CA-CG 3.44Å; K92-P104 HydrophobicContact CB-CG 3.85Å; K92-P104 HydrophobicContact CG-CG 4.33Å; F95-P104 HydrophobicContact CB-CG 4.45Å; P102-P104 WeakPolarHBondContact O-CD 3.38Å; P102-P104 VanDerWaalsContact O-N 3.11Å |
| 105 | I | 94.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 49 Ų | 49 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -52.3 | -170.6 | -50 | 174.5 | 0 | 0 | 0 | 111.4 | L33 Y67 K103 I120 | L33-I105 HydrophobicContact CD1-CB 4.15Å; L33-I105 HydrophobicContact CD1-CG2 3.37Å; L33-I105 HydrophobicContact CG-CG2 4.47Å; Y67-I105 HydrophobicContact CD1-CD1 3.65Å; Y67-I105 HydrophobicContact CE1-CD1 3.76Å; K103-I105 WeakPolarHBondContact O-CG1 3.37Å; K103-I105 PolarHBondContact O-N 2.64Å; I105-I120 HydrophobicContact CD1-CG2 4.46Å; I105-I120 PolarHBondContact N-O 3.19Å |
| 106 | L | 94.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 139.4 | -171.5 | -178.7 | 65.5 | 0 | 0 | 0 | 110.7 | Y28 L29 H32 L33 Y119 I120 | Y28-L106 HydrophobicContact CD1-CD2 4.37Å; Y28-L106 HydrophobicContact CE1-CD2 3.76Å; Y28-L106 HydrophobicContact CE1-CG 4.48Å; L29-L106 HydrophobicContact CD2-CD2 3.94Å; H32-L106 HydrophobicContact CB-CD1 4.17Å; H32-L106 HydrophobicContact CB-CD2 3.97Å; L33-L106 HydrophobicContact CD1-CB 4.03Å; L33-L106 HydrophobicContact CD1-CD2 4.24Å; L106-Y119 CarbonylContact O-C 3.45Å; L106-Y119 WeakPolarHBondContact O-CA 3.34Å; L106-Y119 VanDerWaalsContact O-CB 3.3Å; L106-Y119 WeakPolarHBondContact O-CB 3.22Å; L106-I120 HydrophobicContact CB-CB 4.22Å; L106-I120 HydrophobicContact CB-CG1 4.38Å; L106-I120 PolarHBondContact N-O 3.44Å; L106-I120 PolarHBondContact O-N 3.1Å |
| 107 | Y | 96 | Very high | 94.3 | Very high | 66 Ų | 66 | 43 Ų | 43 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.7 | 169.3 | 167.4 | -107.4 | 0 | 0 | 0 | 109.3 | I84 D85 F88 E117 F118 | I84-Y107 HydrophobicContact CD1-CE2 4.34Å; I84-Y107 HydrophobicContact CG1-CE2 4.24Å; D85-Y107 HydrophobicContact CB-CE1 4.42Å; D85-Y107 HydrophobicContact CB-CE2 4.01Å; F88-Y107 HydrophobicContact CD1-CG 4.25Å; F88-Y107 HydrophobicContact CG-CG 4.45Å; Y107-E117 PolarHBondContact OH-OE2 3.26Å; Y107-F118 WeakPolarHBondContact CD2-O 3.33Å |
| 108 | C | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 111.6 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | Y28 E117 F118 | Y28-C108 HydrophobicContact CE1-CB 3.85Å; Y28-C108 VanDerWaalsContact CZ-SG 3.58Å; C108-E117 WeakPolarHBondContact O-CA 3.43Å; C108-F118 HydrophobicContact CB-CD1 3.85Å; C108-F118 HydrophobicContact CB-CD2 4.39Å; C108-F118 HydrophobicContact CB-CE1 3.43Å; C108-F118 VanDerWaalsContact CB-CE1 3.43Å; C108-F118 HydrophobicContact CB-CE2 4.01Å; C108-F118 HydrophobicContact CB-CG 4.32Å; C108-F118 HydrophobicContact CB-CZ 3.52Å; C108-F118 PolarHBondContact N-O 3.15Å; C108-F118 PolarHBondContact O-N 2.77Å; C108-F118 VanDerWaalsContact O-N 3.09Å; C108-F118 VanDerWaalsContact SG-CE1 3.54Å |
| 109 | S | 93.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 37.2 Ų | 37.2 | 56% | 0.559 | 22% | 0.223 | S | C | * | . | trans | -86 | -11.2 | 172.2 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | T111 | S109-T111 PolarHBondContact O-N 3.23Š| ||
| 110 | D | 93.3 | Very high | 94.3 | Very high | 79 Ų | 79 | 37.1 Ų | 37.1 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | trans | -76.9 | 103 | -179.5 | -175.7 | -1.8 | 0 | 0 | 0 | 110.5 | S112 V113 | D110-S112 PolarHBondContact O-N 2.65Å; D110-S112 VanDerWaalsContact OD1-CB 3.23Å; D110-S112 WeakPolarHBondContact OD1-CB 3.27Å; D110-S112 PolarHBondContact OD1-N 3.48Å; D110-S112 PolarHBondContact OD1-OG 3.18Å; D110-S112 PolarHBondContact OD2-OG 3.24Å; D110-S112 VanDerWaalsContact OD2-OG 3.07Å; D110-V113 HydrophobicContact CB-CG2 4.14Å; D110-V113 PolarHBondContact O-N 3.02Å | ||
| 111 | T | 91.6 | Very high | 94.2 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 47% | 0.466 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.5 | 179.7 | 56 | 0 | 0 | 0 | 0 | 113 | S109 V113 G115 E117 | S109-T111 PolarHBondContact O-N 3.23Å; T111-V113 PolarHBondContact O-N 3.07Å; T111-G115 CarbonylContact O-C 3.36Å; T111-G115 WeakPolarHBondContact O-CA 3.49Å; T111-G115 PolarHBondContact O-N 3.08Å; T111-E117 HydrophobicContact CG2-CG 4.09Å |
| 112 | S | 91.9 | Very high | 94 | Very high | 95 Ų | 95 | 40.5 Ų | 40.5 | 66% | 0.664 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.7 | 178 | 74.1 | 0 | 0 | 0 | 0 | 113.2 | D110 | D110-S112 PolarHBondContact O-N 2.65Å; D110-S112 VanDerWaalsContact OD1-CB 3.23Å; D110-S112 WeakPolarHBondContact OD1-CB 3.27Å; D110-S112 PolarHBondContact OD1-N 3.48Å; D110-S112 PolarHBondContact OD1-OG 3.18Å; D110-S112 PolarHBondContact OD2-OG 3.24Å; D110-S112 VanDerWaalsContact OD2-OG 3.07Å |
| 113 | V | 93.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -52.3 | -176.4 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | S24 Y28 D110 T111 F118 | S24-V113 WeakPolarHBondContact CB-O 3.16Å; Y28-V113 HydrophobicContact CD1-CG1 4.4Å; Y28-V113 HydrophobicContact CD2-CG1 4.14Å; Y28-V113 HydrophobicContact CD2-CG2 3.8Å; Y28-V113 HydrophobicContact CE2-CG2 4.13Å; Y28-V113 HydrophobicContact CG-CG1 3.81Å; Y28-V113 HydrophobicContact CG-CG2 4.29Å; D110-V113 HydrophobicContact CB-CG2 4.14Å; D110-V113 PolarHBondContact O-N 3.02Å; T111-V113 PolarHBondContact O-N 3.07Å; V113-F118 HydrophobicContact CB-CE1 4.21Å; V113-F118 HydrophobicContact CG1-CE1 4.15Å; V113-F118 HydrophobicContact CG1-CZ 4.32Å |
| 114 | I | 92.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | 14.9 | -178.8 | 67.3 | 168 | 0 | 0 | 0 | 113.7 | F20 L25 L69 K71 T116 F118 | F20-I114 HydrophobicContact CB-CB 3.95Å; F20-I114 WeakPolarHBondContact CB-O 3.5Å; F20-I114 HydrophobicContact CD2-CB 4.12Å; F20-I114 HydrophobicContact CD2-CG2 3.97Å; F20-I114 HydrophobicContact CG-CB 4.15Å; F20-I114 HydrophobicContact CG-CD1 4.46Å; L25-I114 HydrophobicContact CB-CG2 3.75Å; L25-I114 HydrophobicContact CD1-CG2 4.04Å; L25-I114 HydrophobicContact CG-CG2 4.38Å; L69-I114 HydrophobicContact CD1-CD1 4.46Å; K71-I114 HydrophobicContact CB-CD1 4.38Å; K71-I114 HydrophobicContact CD-CD1 4.29Å; I114-T116 VanDerWaalsContact C-N 3.29Å; I114-T116 HydrophobicContact CD1-CG2 4.26Å; I114-T116 HydrophobicContact CG1-CG2 4.18Å; I114-T116 WeakPolarHBondContact CG1-O 3.3Å; I114-T116 PolarHBondContact O-N 3.36Å; I114-F118 HydrophobicContact CD1-CB 3.83Å; I114-F118 HydrophobicContact CD1-CD1 3.29Å; I114-F118 HydrophobicContact CD1-CD2 4.46Å; I114-F118 HydrophobicContact CD1-CE1 3.9Å; I114-F118 HydrophobicContact CD1-CG 3.61Å; I114-F118 HydrophobicContact CG1-CD1 3.48Å; I114-F118 VanDerWaalsContact CG1-CD1 3.48Å; I114-F118 HydrophobicContact CG1-CE1 3.81Å; I114-F118 HydrophobicContact CG1-CG 4.32Å; I114-F118 HydrophobicContact CG2-CE1 4.36Å |
| 115 | G | 89.9 | Confident | 93.7 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 68% | 0.68 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 82.1 | -1.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T111 | T111-G115 CarbonylContact O-C 3.36Å; T111-G115 WeakPolarHBondContact O-CA 3.49Å; T111-G115 PolarHBondContact O-N 3.08Å |
| 116 | T | 91.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -159.6 | 162.1 | -179.1 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | K71 K72 I114 | K71-T116 HydrophobicContact CB-CG2 3.84Å; K71-T116 HydrophobicContact CD-CG2 3.82Å; K71-T116 HydrophobicContact CG-CG2 3.93Å; K72-T116 WeakPolarHBondContact CB-OG1 3.36Å; K72-T116 WeakPolarHBondContact O-CG2 3.18Å; K72-T116 PolarHBondContact O-OG1 3.37Å; I114-T116 VanDerWaalsContact C-N 3.29Å; I114-T116 HydrophobicContact CD1-CG2 4.26Å; I114-T116 HydrophobicContact CG1-CG2 4.18Å; I114-T116 WeakPolarHBondContact CG1-O 3.3Å; I114-T116 PolarHBondContact O-N 3.36Å |
| 117 | E | 93.4 | Very high | 93.5 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | trans | -66.2 | 149.3 | 171 | -56.5 | 173.4 | -135.1 | 0 | 0 | 110 | K71 K72 I84 Y107 C108 T111 | K71-E117 WeakPolarHBondContact CA-O 3.44Å; K72-E117 PolarHBondContact N-O 3.14Å; K72-E117 VanDerWaalsContact N-O 3.1Å; K72-E117 IonicContact NZ-OE1 2.77Å; I84-E117 HydrophobicContact CD1-CB 3.52Å; I84-E117 WeakPolarHBondContact CD1-O 3.5Å; I84-E117 HydrophobicContact CG1-CB 4.12Å; Y107-E117 PolarHBondContact OH-OE2 3.26Å; C108-E117 WeakPolarHBondContact O-CA 3.43Å; T111-E117 HydrophobicContact CG2-CG 4.09Å | ||
| 118 | F | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163.9 | 174.1 | 66.6 | -81.4 | 0 | 0 | 0 | 112.7 | L25 Y28 L69 R70 K71 I84 Y107 C108 V113 I114 I120 | L25-F118 HydrophobicContact CD1-CD2 4.48Å; L25-F118 HydrophobicContact CD1-CE1 4.47Å; L25-F118 HydrophobicContact CD1-CE2 3.71Å; L25-F118 HydrophobicContact CD1-CZ 3.7Å; Y28-F118 AromaticContact CD1-CZ 3.84Å; Y28-F118 HydrophobicContact CD1-CZ 3.84Å; Y28-F118 AromaticContact CE1-CZ 3.93Å; Y28-F118 HydrophobicContact CE1-CZ 3.93Å; L69-F118 HydrophobicContact CD1-CD2 3.85Å; L69-F118 HydrophobicContact CD1-CE2 4.3Å; L69-F118 HydrophobicContact CD1-CG 4.38Å; L69-F118 HydrophobicContact CD2-CB 4.22Å; L69-F118 HydrophobicContact CG-CB 4.32Å; L69-F118 HydrophobicContact CG-CD2 4.04Å; L69-F118 HydrophobicContact CG-CG 4.49Å; R70-F118 CarbonylContact O-C 3.58Å; R70-F118 VanDerWaalsContact O-CA 3.3Å; R70-F118 WeakPolarHBondContact O-CA 3.27Å; R70-F118 WeakPolarHBondContact O-CB 3.38Å; K71-F118 HydrophobicContact CB-CB 3.8Å; I84-F118 VanDerWaalsContact CD1-CA 3.4Å; I84-F118 VanDerWaalsContact CD1-N 3.34Å; Y107-F118 WeakPolarHBondContact CD2-O 3.33Å; C108-F118 HydrophobicContact CB-CD1 3.85Å; C108-F118 HydrophobicContact CB-CD2 4.39Å; C108-F118 HydrophobicContact CB-CE1 3.43Å; C108-F118 VanDerWaalsContact CB-CE1 3.43Å; C108-F118 HydrophobicContact CB-CE2 4.01Å; C108-F118 HydrophobicContact CB-CG 4.32Å; C108-F118 HydrophobicContact CB-CZ 3.52Å; C108-F118 PolarHBondContact N-O 3.15Å; C108-F118 PolarHBondContact O-N 2.77Å; C108-F118 VanDerWaalsContact O-N 3.09Å; C108-F118 VanDerWaalsContact SG-CE1 3.54Å; V113-F118 HydrophobicContact CB-CE1 4.21Å; V113-F118 HydrophobicContact CG1-CE1 4.15Å; V113-F118 HydrophobicContact CG1-CZ 4.32Å; I114-F118 HydrophobicContact CD1-CB 3.83Å; I114-F118 HydrophobicContact CD1-CD1 3.29Å; I114-F118 HydrophobicContact CD1-CD2 4.46Å; I114-F118 HydrophobicContact CD1-CE1 3.9Å; I114-F118 HydrophobicContact CD1-CG 3.61Å; I114-F118 HydrophobicContact CG1-CD1 3.48Å; I114-F118 VanDerWaalsContact CG1-CD1 3.48Å; I114-F118 HydrophobicContact CG1-CE1 3.81Å; I114-F118 HydrophobicContact CG1-CG 4.32Å; I114-F118 HydrophobicContact CG2-CE1 4.36Å; F118-I120 HydrophobicContact CD2-CD1 4.02Å; F118-I120 HydrophobicContact CD2-CG1 4.36Å; F118-I120 HydrophobicContact CE2-CD1 4.11Å; F118-I120 HydrophobicContact CE2-CG1 4.23Å |
| 119 | Y | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 156.1 | 165.7 | 75.5 | -98.5 | 0 | 0 | 0 | 111.5 | L69 R70 I84 E87 F88 Q91 L106 M121 | L69-Y119 WeakPolarHBondContact CA-O 3.47Å; R70-Y119 HydrophobicContact CB-CD1 4.2Å; R70-Y119 HydrophobicContact CB-CE1 3.67Å; R70-Y119 HydrophobicContact CB-CE2 4.16Å; R70-Y119 VanDerWaalsContact CD-OH 3.25Å; R70-Y119 WeakPolarHBondContact CD-OH 3.45Å; R70-Y119 HydrophobicContact CG-CE1 4.2Å; R70-Y119 PolarHBondContact N-O 3.28Å; R70-Y119 PolarHBondContact O-N 3.33Å; I84-Y119 HydrophobicContact CB-CD1 4.25Å; I84-Y119 HydrophobicContact CB-CE1 4.48Å; E87-Y119 HydrophobicContact CB-CE1 4.36Å; E87-Y119 HydrophobicContact CG-CE1 4.42Å; E87-Y119 PolarHBondContact OE1-OH 3.34Å; F88-Y119 HydrophobicContact CB-CD1 4.21Å; F88-Y119 HydrophobicContact CB-CG 4.18Å; F88-Y119 AromaticContact CD2-CD2 3.88Å; F88-Y119 HydrophobicContact CD2-CD2 3.88Å; F88-Y119 AromaticContact CD2-CG 3.86Å; F88-Y119 HydrophobicContact CD2-CG 3.86Å; F88-Y119 HydrophobicContact CG-CG 4.46Å; Q91-Y119 PolarHBondContact NE2-OH 3.24Å; L106-Y119 CarbonylContact O-C 3.45Å; L106-Y119 WeakPolarHBondContact O-CA 3.34Å; L106-Y119 VanDerWaalsContact O-CB 3.3Å; L106-Y119 WeakPolarHBondContact O-CB 3.22Å; Y119-M121 HydrophobicContact CD2-CB 4.5Å; Y119-M121 HydrophobicContact CE2-CB 4.22Å; Y119-M121 HydrophobicContact CE2-CG 4.14Å; Y119-M121 HydrophobicContact CE2-SD 3.82Å |
| 120 | I | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.1 | 176.1 | -52.4 | -60.5 | 0 | 0 | 0 | 109.1 | L29 L33 L60 Y67 V68 L69 I105 L106 F118 | L29-I120 HydrophobicContact CD2-CD1 4.22Å; L29-I120 HydrophobicContact CD2-CG1 3.85Å; L33-I120 HydrophobicContact CD1-CG2 4.42Å; L60-I120 HydrophobicContact CD1-CD1 3.9Å; Y67-I120 HydrophobicContact CD1-CG2 4.02Å; Y67-I120 HydrophobicContact CG-CG2 4.18Å; V68-I120 WeakPolarHBondContact O-CA 3.39Å; L69-I120 HydrophobicContact CB-CD1 3.59Å; L69-I120 HydrophobicContact CD1-CD1 3.72Å; L69-I120 HydrophobicContact CG-CD1 3.69Å; I105-I120 HydrophobicContact CD1-CG2 4.46Å; I105-I120 PolarHBondContact N-O 3.19Å; L106-I120 HydrophobicContact CB-CB 4.22Å; L106-I120 HydrophobicContact CB-CG1 4.38Å; L106-I120 PolarHBondContact N-O 3.44Å; L106-I120 PolarHBondContact O-N 3.1Å; F118-I120 HydrophobicContact CD2-CD1 4.02Å; F118-I120 HydrophobicContact CD2-CG1 4.36Å; F118-I120 HydrophobicContact CE2-CD1 4.11Å; F118-I120 HydrophobicContact CE2-CG1 4.23Å |
| 121 | M | 95.4 | Very high | 92 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 166 | 171.7 | 64.1 | -175.4 | 176.5 | 0 | 0 | 111.2 | V68 P102 K103 Y119 | V68-M121 HydrophobicContact CB-CE 3.81Å; V68-M121 HydrophobicContact CB-CG 3.87Å; V68-M121 HydrophobicContact CG1-CE 3.45Å; V68-M121 VanDerWaalsContact CG1-CE 3.45Å; V68-M121 HydrophobicContact CG1-CG 4.43Å; V68-M121 PolarHBondContact N-O 3.49Å; V68-M121 PolarHBondContact O-N 3.17Å; P102-M121 HydrophobicContact CB-CB 4.23Å; P102-M121 HydrophobicContact CB-CG 4.17Å; P102-M121 HydrophobicContact CB-SD 3.74Å; P102-M121 HydrophobicContact CG-SD 4.01Å; K103-M121 CarbonylContact O-C 3.55Å; K103-M121 VanDerWaalsContact O-CA 3.24Å; K103-M121 WeakPolarHBondContact O-CA 3.5Å; K103-M121 WeakPolarHBondContact O-CB 3.09Å; Y119-M121 HydrophobicContact CD2-CB 4.5Å; Y119-M121 HydrophobicContact CE2-CB 4.22Å; Y119-M121 HydrophobicContact CE2-CG 4.14Å; Y119-M121 HydrophobicContact CE2-SD 3.82Å |
| 122 | E | 94.6 | Very high | 91.5 | Very high | 88 Ų | 88 | 40.3 Ų | 40.3 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 140.5 | 172 | 176.5 | 177.8 | -165.5 | 0 | 0 | 111.4 | K103 V124 | K103-E122 HydrophobicContact CB-CB 3.89Å; K103-E122 VanDerWaalsContact CB-OE2 3.27Å; K103-E122 WeakPolarHBondContact CB-OE2 3.39Å; K103-E122 PolarHBondContact O-N 2.9Å; E122-V124 HydrophobicContact CG-CG2 4.34Å; E122-V124 PolarHBondContact O-N 3.48Å |
| 123 | H | 93.9 | Very high | 90.9 | Very high | 34 Ų | 34 | 37 Ų | 37 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | trans | -83.8 | 103.6 | 167.9 | 177.7 | -113.8 | 0 | 0 | 0 | 110.1 | Y49 Y59 T66 V68 Q125 | Y49-H123 PolarHBondContact OH-CD2 3.06Å; Y49-H123 PolarHBondContact OH-NE2 2.82Å; Y49-H123 VanDerWaalsContact OH-NE2 3.14Å; Y59-H123 AromaticContact CE2-CE1 3.81Å; Y59-H123 AromaticContact CE2-ND1 3.81Å; T66-H123 PolarHBondContact OG1-ND1 2.89Å; V68-H123 HydrophobicContact CG2-CB 3.97Å; H123-Q125 PolarHBondContact O-N 3.4Å | ||
| 124 | V | 94.2 | Very high | 90.6 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | trans | -84.5 | 110 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | P102 E122 V229 I238 A239 | P102-V124 HydrophobicContact CB-CG2 3.98Å; P102-V124 HydrophobicContact CG-CG2 4.26Å; E122-V124 HydrophobicContact CG-CG2 4.34Å; E122-V124 PolarHBondContact O-N 3.48Å; V124-V229 HydrophobicContact CG1-CG1 4.11Å; V124-I238 HydrophobicContact CG1-CD1 3.58Å; V124-I238 HydrophobicContact CG1-CG1 3.87Å; V124-A239 HydrophobicContact CB-CB 4.21Å; V124-A239 HydrophobicContact CG1-CB 4.01Å; V124-A239 HydrophobicContact CG2-CB 4.1Å | ||
| 125 | Q | 91.8 | Very high | 90.1 | Very high | 133 Ų | 133 | 39.2 Ų | 39.2 | 62% | 0.621 | 22% | 0.215 | S | C | * | . | trans | -84.4 | 117.4 | 179.2 | -166.6 | 175.3 | 17.5 | 0 | 0 | 111.6 | G7 H123 | G7-Q125 PolarHBondContact O-NE2 3.4Å; H123-Q125 PolarHBondContact O-N 3.4Å | ||
| 126 | G | 92.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | trans | -164 | -168.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | F230 | G126-F230 CarbonylContact C-O 3.59Å; G126-F230 VanDerWaalsContact CA-O 3.23Å; G126-F230 WeakPolarHBondContact CA-O 3.47Å | ||
| 127 | R | 92.7 | Very high | 89.4 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 127.2 | 176.8 | -60.2 | -179.2 | -67.7 | 164.5 | 0.4 | 109.4 | F129 E141 F230 H231 P232 E234 | R127-F129 HydrophobicContact CB-CE2 4.11Å; R127-F129 HydrophobicContact CB-CZ 4.06Å; R127-E141 IonicContact CZ-OE1 3.15Å; R127-E141 IonicContact NH1-OE1 3.55Å; R127-E141 PolarHBondContact NH1-OE1 2.93Å; R127-E141 IonicContact NH2-OE1 3.34Å; R127-F230 HydrophobicContact CB-CB 4.32Å; R127-F230 PolarHBondContact N-O 3.2Å; R127-F230 PolarHBondContact O-N 3.31Å; R127-H231 PolarHBondContact NE-O 3.03Å; R127-H231 PolarHBondContact NH2-O 2.86Å; R127-P232 WeakPolarHBondContact CD-O 3.45Å; R127-P232 PolarHBondContact NE-O 2.93Å; R127-E234 PolarHBondContact NH2-O 3Å |
| 128 | I | 91.2 | Very high | 89.1 | Confident | 55 Ų | 55 | 41.4 Ų | 41.4 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | trans | -117 | 120.8 | 172.7 | -59.2 | 175.1 | 0 | 0 | 0 | 107.7 | D226 V229 L241 | I128-D226 WeakPolarHBondContact CG2-O 3.28Å; I128-V229 HydrophobicContact CD1-CG2 4.13Å; I128-V229 HydrophobicContact CG1-CG1 4.47Å; I128-V229 HydrophobicContact CG1-CG2 4.11Å; I128-L241 HydrophobicContact CD1-CD1 4.49Å | ||
| 129 | F | 89.4 | Confident | 88.7 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | trans | -98.5 | 117.9 | 179.3 | -59.3 | -74.5 | 0 | 0 | 0 | 109.4 | R127 V134 V137 I145 L225 D226 F230 | R127-F129 HydrophobicContact CB-CE2 4.11Å; R127-F129 HydrophobicContact CB-CZ 4.06Å; F129-V134 HydrophobicContact CD1-CG1 3.53Å; F129-V134 HydrophobicContact CD2-CG1 4.36Å; F129-V134 HydrophobicContact CE1-CG1 3.66Å; F129-V134 HydrophobicContact CE2-CG1 4.49Å; F129-V134 HydrophobicContact CG-CG1 3.89Å; F129-V134 HydrophobicContact CZ-CG1 4.15Å; F129-V137 HydrophobicContact CE1-CG1 4.26Å; F129-V137 HydrophobicContact CZ-CG1 4.43Å; F129-I145 HydrophobicContact CD2-CD1 4.35Å; F129-I145 HydrophobicContact CD2-CG2 4.41Å; F129-I145 HydrophobicContact CE2-CD1 3.63Å; F129-I145 HydrophobicContact CE2-CG1 4.31Å; F129-I145 HydrophobicContact CZ-CD1 3.77Å; F129-L225 HydrophobicContact CB-CD1 4.37Å; F129-L225 HydrophobicContact CB-CD2 3.78Å; F129-L225 HydrophobicContact CB-CG 3.96Å; F129-L225 CarbonylContact O-C 3.58Å; F129-L225 WeakPolarHBondContact O-CG 3.37Å; F129-D226 WeakPolarHBondContact O-CA 3.48Å; F129-D226 PolarHBondContact O-N 3.26Å; F129-F230 AromaticContact CD2-CD2 3.69Å; F129-F230 HydrophobicContact CD2-CD2 3.69Å; F129-F230 AromaticContact CD2-CE2 3.97Å; F129-F230 HydrophobicContact CD2-CE2 3.97Å; F129-F230 HydrophobicContact CD2-CG 4.44Å; F129-F230 HydrophobicContact CE2-CB 4.35Å; F129-F230 AromaticContact CE2-CD2 3.85Å; F129-F230 HydrophobicContact CE2-CD2 3.85Å; F129-F230 HydrophobicContact CE2-CE2 4.44Å; F129-F230 HydrophobicContact CE2-CG 4.15Å | ||
| 130 | R | 84.6 | Confident | 88.2 | Confident | 100 Ų | 100 | 48.3 Ų | 48.3 | 38% | 0.377 | 29% | 0.289 | S | S | . | . | trans | -95.3 | -25.3 | 178.2 | -62.6 | -176.3 | -179.9 | 100.4 | 2.3 | 112.9 | D226 N272 | R130-D226 HydrophobicContact CG-CB 4.31Å; R130-N272 PolarHBondContact O-ND2 3.3Å | ||
| 131 | D | 81.2 | Confident | 87.9 | Confident | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.214 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -93.3 | 123.4 | 175.1 | -175.1 | -18.8 | 0 | 0 | 0 | 109.1 | T133 V134 P135 | D131-T133 PolarHBondContact O-N 2.81Å; D131-T133 WeakPolarHBondContact OD1-CB 3.48Å; D131-T133 PolarHBondContact OD1-N 2.92Å; D131-T133 PolarHBondContact OD1-OG1 2.78Å; D131-T133 PolarHBondContact OD2-OG1 2.84Å; D131-V134 PolarHBondContact O-N 3.09Å; D131-P135 HydrophobicContact CB-CG 4.19Å |
| 132 | L | 81.9 | Confident | 87.8 | Confident | 37 Ų | 37 | 52 Ų | 52 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22 | 179.3 | -62 | -179.5 | 0 | 0 | 0 | 112.7 | V134 Y146 L225 F261 M270 I283 | L132-V134 PolarHBondContact O-N 2.87Å; L132-Y146 PolarHBondContact O-OH 2.67Å; L132-L225 HydrophobicContact CD2-CB 3.85Å; L132-L225 HydrophobicContact CD2-CD2 3.9Å; L132-F261 HydrophobicContact CD1-CB 3.42Å; L132-F261 VanDerWaalsContact CD1-CB 3.42Å; L132-F261 HydrophobicContact CD1-CG 4Å; L132-M270 HydrophobicContact CD1-CE 3.29Å; L132-M270 HydrophobicContact CD1-SD 4.31Å; L132-M270 HydrophobicContact CG-CE 4.43Å; L132-I283 WeakPolarHBondContact O-CD1 3.34Å |
| 133 | T | 79.6 | Confident | 87.7 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10.2 | 173 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | D131 R142 S275 I277 | D131-T133 PolarHBondContact O-N 2.81Å; D131-T133 WeakPolarHBondContact OD1-CB 3.48Å; D131-T133 PolarHBondContact OD1-N 2.92Å; D131-T133 PolarHBondContact OD1-OG1 2.78Å; D131-T133 PolarHBondContact OD2-OG1 2.84Å; T133-R142 WeakPolarHBondContact O-CD 3.48Å; T133-R142 PolarHBondContact O-NE 3.15Å; T133-R142 PolarHBondContact O-NH1 3.44Å; T133-S275 WeakPolarHBondContact CG2-O 3.36Å; T133-I277 HydrophobicContact CG2-CG1 4.43Å |
| 134 | V | 86.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | 45.7 | 64.2 | -178.2 | -161.8 | 0 | 0 | 0 | 0 | 110.6 | F129 D131 L132 V137 R142 I145 Y146 L225 | F129-V134 HydrophobicContact CD1-CG1 3.53Å; F129-V134 HydrophobicContact CD2-CG1 4.36Å; F129-V134 HydrophobicContact CE1-CG1 3.66Å; F129-V134 HydrophobicContact CE2-CG1 4.49Å; F129-V134 HydrophobicContact CG-CG1 3.89Å; F129-V134 HydrophobicContact CZ-CG1 4.15Å; D131-V134 PolarHBondContact O-N 3.09Å; L132-V134 PolarHBondContact O-N 2.87Å; V134-V137 HydrophobicContact CB-CG2 4.06Å; V134-V137 HydrophobicContact CG1-CB 4.47Å; V134-V137 HydrophobicContact CG1-CG1 4.14Å; V134-V137 HydrophobicContact CG1-CG2 3.5Å; V134-V137 VanDerWaalsContact CG1-CG2 3.5Å; V134-V137 WeakPolarHBondContact O-CG2 3.44Å; V134-R142 HydrophobicContact CB-CG 4.06Å; V134-R142 HydrophobicContact CG2-CG 4.16Å; V134-I145 HydrophobicContact CG1-CD1 3.9Å; V134-Y146 HydrophobicContact CG2-CE2 4.07Å; V134-L225 HydrophobicContact CG2-CD2 4.04Å | ||
| 135 | P | 81.3 | Confident | 87.7 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 145.9 | -176.2 | 28 | -34.5 | 0 | 0 | 0 | 110.7 | D131 | D131-P135 HydrophobicContact CB-CG 4.19Š|
| 136 | G | 81.4 | Confident | 87.8 | Confident | 86 Ų | 86 | 42.2 Ų | 42.2 | 89% | 0.887 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 2.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 137 | V | 85.8 | Confident | 87.9 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 13% | 0.127 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -111.9 | 153.5 | 168.4 | -51 | 0 | 0 | 0 | 0 | 111.5 | F129 V134 E141 R142 I145 | F129-V137 HydrophobicContact CE1-CG1 4.26Å; F129-V137 HydrophobicContact CZ-CG1 4.43Å; V134-V137 HydrophobicContact CB-CG2 4.06Å; V134-V137 HydrophobicContact CG1-CB 4.47Å; V134-V137 HydrophobicContact CG1-CG1 4.14Å; V134-V137 HydrophobicContact CG1-CG2 3.5Å; V134-V137 VanDerWaalsContact CG1-CG2 3.5Å; V134-V137 WeakPolarHBondContact O-CG2 3.44Å; V137-E141 HydrophobicContact CB-CB 4.11Å; V137-E141 HydrophobicContact CB-CG 4.18Å; V137-E141 HydrophobicContact CG2-CB 4.36Å; V137-R142 HydrophobicContact CG2-CB 4Å; V137-R142 PolarHBondContact O-NH2 2.95Å; V137-I145 HydrophobicContact CG2-CD1 4.28Å |
| 138 | S | 87 | Confident | 88.1 | Confident | 59 Ų | 59 | 41.5 Ų | 41.5 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | trans | -65.3 | 156.7 | 178.6 | 72.9 | 0 | 0 | 0 | 0 | 111.9 | A140 E141 R142 | S138-A140 PolarHBondContact O-N 3.14Å; S138-E141 PolarHBondContact O-N 2.98Å; S138-E141 VanDerWaalsContact O-N 3.12Å; S138-E141 WeakPolarHBondContact OG-CB 3.32Å; S138-E141 PolarHBondContact OG-N 3.42Å; S138-E141 VanDerWaalsContact OG-N 3.16Å; S138-R142 WeakPolarHBondContact O-CB 3.34Å; S138-R142 PolarHBondContact O-N 3.35Å | ||
| 139 | P | 86.4 | Confident | 88.4 | Confident | 72 Ų | 72 | 39 Ų | 39 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.4 | -37.5 | 175.7 | -28.1 | 36.2 | 0 | 0 | 0 | 113.8 | R142 S143 G282 | P139-R142 PolarHBondContact O-N 3.24Å; P139-S143 PolarHBondContact O-N 3.46Å; P139-G282 WeakPolarHBondContact O-CA 3.29Å |
| 140 | A | 84.9 | Confident | 88.7 | Confident | 74 Ų | 74 | 38.3 Ų | 38.3 | 61% | 0.612 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.5 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | S138 R142 S143 A144 | S138-A140 PolarHBondContact O-N 3.14Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-S143 WeakPolarHBondContact O-CB 3.46Å; A140-S143 PolarHBondContact O-N 3.34Å; A140-A144 PolarHBondContact O-N 3.3Å |
| 141 | E | 90.1 | Very high | 89.4 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 176 | -164.6 | 180 | 172.7 | 0 | 0 | 111.4 | R127 V137 S138 S143 A144 I145 C235 | R127-E141 IonicContact CZ-OE1 3.15Å; R127-E141 IonicContact NH1-OE1 3.55Å; R127-E141 PolarHBondContact NH1-OE1 2.93Å; R127-E141 IonicContact NH2-OE1 3.34Å; V137-E141 HydrophobicContact CB-CB 4.11Å; V137-E141 HydrophobicContact CB-CG 4.18Å; V137-E141 HydrophobicContact CG2-CB 4.36Å; S138-E141 PolarHBondContact O-N 2.98Å; S138-E141 VanDerWaalsContact O-N 3.12Å; S138-E141 WeakPolarHBondContact OG-CB 3.32Å; S138-E141 PolarHBondContact OG-N 3.42Å; S138-E141 VanDerWaalsContact OG-N 3.16Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-S143 PolarHBondContact O-N 3.01Å; E141-A144 PolarHBondContact O-N 2.58Å; E141-I145 HydrophobicContact CG-CD1 4.34Å; E141-I145 WeakPolarHBondContact O-CG1 3.25Å; E141-I145 PolarHBondContact O-N 2.67Å; E141-C235 WeakPolarHBondContact CG-SG 3.34Å |
| 142 | R | 92.9 | Very high | 90.2 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 14% | 0.143 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 174.3 | -163.7 | 173.7 | -48.9 | 167.2 | 3.2 | 111.5 | T133 V134 V137 S138 P139 A140 I145 Y146 S281 I283 | T133-R142 WeakPolarHBondContact O-CD 3.48Å; T133-R142 PolarHBondContact O-NE 3.15Å; T133-R142 PolarHBondContact O-NH1 3.44Å; V134-R142 HydrophobicContact CB-CG 4.06Å; V134-R142 HydrophobicContact CG2-CG 4.16Å; V137-R142 HydrophobicContact CG2-CB 4Å; V137-R142 PolarHBondContact O-NH2 2.95Å; S138-R142 WeakPolarHBondContact O-CB 3.34Å; S138-R142 PolarHBondContact O-N 3.35Å; P139-R142 PolarHBondContact O-N 3.24Å; A140-R142 VanDerWaalsContact C-N 3.35Å; R142-I145 PolarHBondContact O-N 3.02Å; R142-Y146 HydrophobicContact CG-CD2 4.29Å; R142-Y146 HydrophobicContact CG-CE2 4.33Å; R142-Y146 WeakPolarHBondContact O-CD2 3.37Å; R142-Y146 PolarHBondContact O-N 2.81Å; R142-Y146 VanDerWaalsContact O-N 3.16Å; R142-S281 WeakPolarHBondContact CD-O 3.38Å; R142-S281 PolarHBondContact NE-O 2.94Å; R142-S281 PolarHBondContact NH1-O 3.31Å; R142-I283 VanDerWaalsContact CD-CG1 3.43Å; R142-I283 HydrophobicContact CG-CG1 3.93Å |
| 143 | S | 92.1 | Very high | 90.9 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 30% | 0.301 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.1 | -50.5 | 175.1 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | P139 A140 E141 I145 Y146 V147 G282 | P139-S143 PolarHBondContact O-N 3.46Å; A140-S143 WeakPolarHBondContact O-CB 3.46Å; A140-S143 PolarHBondContact O-N 3.34Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-S143 PolarHBondContact O-N 3.01Å; S143-I145 VanDerWaalsContact C-N 3.32Å; S143-I145 PolarHBondContact O-N 3.34Å; S143-Y146 PolarHBondContact O-N 3.39Å; S143-Y146 VanDerWaalsContact O-N 3.16Å; S143-V147 VanDerWaalsContact O-CG2 3.25Å; S143-V147 WeakPolarHBondContact O-CG2 3.17Å; S143-V147 PolarHBondContact O-N 3.05Å; S143-G282 WeakPolarHBondContact CA-O 3.34Å; S143-G282 VanDerWaalsContact CB-O 3.3Å; S143-G282 WeakPolarHBondContact CB-O 3.48Å; S143-G282 PolarHBondContact N-O 3.39Å |
| 144 | A | 92.8 | Very high | 91.8 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 31% | 0.314 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.9 | -37.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | A140 E141 V147 A148 C235 | A140-A144 PolarHBondContact O-N 3.3Å; E141-A144 PolarHBondContact O-N 2.58Å; A144-V147 PolarHBondContact O-N 2.9Å; A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.49Å; A144-A148 PolarHBondContact O-N 3.14Å; A144-C235 HydrophobicContact CB-CB 3.66Å |
| 145 | I | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 174.8 | -74 | 164.6 | 0 | 0 | 0 | 111 | F129 V134 V137 E141 R142 S143 A148 M149 L225 F230 C235 | F129-I145 HydrophobicContact CD2-CD1 4.35Å; F129-I145 HydrophobicContact CD2-CG2 4.41Å; F129-I145 HydrophobicContact CE2-CD1 3.63Å; F129-I145 HydrophobicContact CE2-CG1 4.31Å; F129-I145 HydrophobicContact CZ-CD1 3.77Å; V134-I145 HydrophobicContact CG1-CD1 3.9Å; V137-I145 HydrophobicContact CG2-CD1 4.28Å; E141-I145 HydrophobicContact CG-CD1 4.34Å; E141-I145 WeakPolarHBondContact O-CG1 3.25Å; E141-I145 PolarHBondContact O-N 2.67Å; R142-I145 PolarHBondContact O-N 3.02Å; S143-I145 VanDerWaalsContact C-N 3.32Å; S143-I145 PolarHBondContact O-N 3.34Å; I145-A148 PolarHBondContact O-N 3.18Å; I145-M149 WeakPolarHBondContact O-CB 3.15Å; I145-M149 PolarHBondContact O-N 3.21Å; I145-L225 HydrophobicContact CG2-CD1 4.04Å; I145-F230 HydrophobicContact CB-CE1 4.36Å; I145-F230 HydrophobicContact CG1-CE1 4.49Å; I145-F230 HydrophobicContact CG2-CE1 3.84Å; I145-F230 HydrophobicContact CG2-CE2 4.09Å; I145-F230 HydrophobicContact CG2-CZ 3.58Å; I145-C235 HydrophobicContact CG1-CB 4.43Å |
| 146 | Y | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 178.7 | -89.3 | -88.1 | 0 | 0 | 0 | 112.6 | L132 V134 R142 S143 M149 V150 F261 I283 L289 | L132-Y146 PolarHBondContact O-OH 2.67Å; V134-Y146 HydrophobicContact CG2-CE2 4.07Å; R142-Y146 HydrophobicContact CG-CD2 4.29Å; R142-Y146 HydrophobicContact CG-CE2 4.33Å; R142-Y146 WeakPolarHBondContact O-CD2 3.37Å; R142-Y146 PolarHBondContact O-N 2.81Å; R142-Y146 VanDerWaalsContact O-N 3.16Å; S143-Y146 PolarHBondContact O-N 3.39Å; S143-Y146 VanDerWaalsContact O-N 3.16Å; Y146-M149 HydrophobicContact CD1-CE 3.4Å; Y146-M149 VanDerWaalsContact CD1-CE 3.4Å; Y146-M149 HydrophobicContact CE1-CE 3.61Å; Y146-M149 HydrophobicContact CG-CE 4.26Å; Y146-M149 PolarHBondContact O-N 3.32Å; Y146-V150 PolarHBondContact O-N 2.61Å; Y146-V150 VanDerWaalsContact O-N 3.1Å; Y146-F261 HydrophobicContact CD1-CZ 4.29Å; Y146-F261 AromaticContact CE1-CE1 3.83Å; Y146-F261 HydrophobicContact CE1-CE1 3.83Å; Y146-F261 HydrophobicContact CE1-CE2 4.29Å; Y146-F261 AromaticContact CE1-CZ 3.49Å; Y146-F261 HydrophobicContact CE1-CZ 3.49Å; Y146-F261 VanDerWaalsContact CE1-CZ 3.49Å; Y146-I283 HydrophobicContact CD1-CG2 4.16Å; Y146-I283 HydrophobicContact CD2-CG1 4.27Å; Y146-I283 HydrophobicContact CD2-CG2 4.04Å; Y146-I283 HydrophobicContact CE1-CG2 3.99Å; Y146-I283 HydrophobicContact CE2-CB 4.34Å; Y146-I283 HydrophobicContact CE2-CD1 4.04Å; Y146-I283 HydrophobicContact CE2-CG1 3.77Å; Y146-I283 HydrophobicContact CE2-CG2 3.86Å; Y146-I283 HydrophobicContact CG-CG2 4.19Å; Y146-L289 HydrophobicContact CD1-CD1 4.18Å |
| 147 | V | 95.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 30 Ų | 30 | 19% | 0.194 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -52.6 | 173.4 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | S143 A144 M149 V150 E151 P284 I292 | S143-V147 VanDerWaalsContact O-CG2 3.25Å; S143-V147 WeakPolarHBondContact O-CG2 3.17Å; S143-V147 PolarHBondContact O-N 3.05Å; A144-V147 PolarHBondContact O-N 2.9Å; V147-M149 VanDerWaalsContact C-N 3.25Å; V147-M149 PolarHBondContact O-N 3.22Å; V147-V150 PolarHBondContact O-N 3.31Å; V147-V150 VanDerWaalsContact O-N 3.08Å; V147-E151 HydrophobicContact CG1-CG 4.12Å; V147-E151 WeakPolarHBondContact O-CG 3.45Å; V147-E151 PolarHBondContact O-N 2.66Å; V147-P284 HydrophobicContact CG2-CG 4.49Å; V147-I292 HydrophobicContact CG1-CD1 4.36Å; V147-I292 HydrophobicContact CG2-CD1 3.83Å |
| 148 | A | 96.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 32 Ų | 32 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.4 | -36.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A144 I145 T152 F230 C235 V237 | A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.49Å; A144-A148 PolarHBondContact O-N 3.14Å; I145-A148 PolarHBondContact O-N 3.18Å; A148-T152 WeakPolarHBondContact O-CB 3.05Å; A148-T152 PolarHBondContact O-N 2.93Å; A148-T152 PolarHBondContact O-OG1 3.16Å; A148-F230 HydrophobicContact CB-CE1 4.39Å; A148-C235 WeakPolarHBondContact CB-O 3.33Å; A148-V237 HydrophobicContact CB-CG2 4.37Å |
| 149 | M | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 174.3 | 176.5 | 168.9 | 74.6 | 0 | 0 | 112 | I145 Y146 V147 T152 L153 F223 L225 I228 L258 | I145-M149 WeakPolarHBondContact O-CB 3.15Å; I145-M149 PolarHBondContact O-N 3.21Å; Y146-M149 HydrophobicContact CD1-CE 3.4Å; Y146-M149 VanDerWaalsContact CD1-CE 3.4Å; Y146-M149 HydrophobicContact CE1-CE 3.61Å; Y146-M149 HydrophobicContact CG-CE 4.26Å; Y146-M149 PolarHBondContact O-N 3.32Å; V147-M149 VanDerWaalsContact C-N 3.25Å; V147-M149 PolarHBondContact O-N 3.22Å; M149-T152 PolarHBondContact O-N 3.16Å; M149-L153 PolarHBondContact O-N 2.9Å; M149-F223 HydrophobicContact CG-CE1 3.74Å; M149-F223 HydrophobicContact CG-CZ 4.48Å; M149-F223 WeakPolarHBondContact O-CE1 3.4Å; M149-L225 HydrophobicContact SD-CB 4.19Å; M149-L225 HydrophobicContact SD-CD1 3.93Å; M149-I228 HydrophobicContact CB-CD1 4.19Å; M149-I228 HydrophobicContact CG-CD1 3.46Å; M149-I228 VanDerWaalsContact CG-CD1 3.46Å; M149-I228 HydrophobicContact SD-CD1 3.75Å; M149-L258 HydrophobicContact CE-CD1 3.58Å; M149-L258 HydrophobicContact CE-CD2 4.22Å; M149-L258 HydrophobicContact CE-CG 4.18Å; M149-L258 HydrophobicContact CG-CD1 4.27Å; M149-L258 HydrophobicContact CG-CD2 4.33Å; M149-L258 HydrophobicContact SD-CD1 3.7Å |
| 150 | V | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.9 | -37.1 | -179.9 | 170.7 | 0 | 0 | 0 | 0 | 112.5 | Y146 V147 T152 L153 A154 L258 L289 I292 Y293 | Y146-V150 PolarHBondContact O-N 2.61Å; Y146-V150 VanDerWaalsContact O-N 3.1Å; V147-V150 PolarHBondContact O-N 3.31Å; V147-V150 VanDerWaalsContact O-N 3.08Å; V150-T152 VanDerWaalsContact C-N 3.31Å; V150-T152 PolarHBondContact O-N 3.04Å; V150-L153 PolarHBondContact O-N 3.14Å; V150-A154 WeakPolarHBondContact O-CB 3.26Å; V150-A154 PolarHBondContact O-N 3.23Å; V150-L258 HydrophobicContact CG2-CD2 3.81Å; V150-L289 WeakPolarHBondContact CG1-O 3.24Å; V150-L289 HydrophobicContact CG2-CB 4.13Å; V150-L289 HydrophobicContact CG2-CD1 4.06Å; V150-L289 HydrophobicContact CG2-CD2 3.89Å; V150-L289 HydrophobicContact CG2-CG 4.23Å; V150-I292 HydrophobicContact CG1-CB 4.44Å; V150-I292 HydrophobicContact CG1-CG2 4.2Å; V150-Y293 HydrophobicContact CG1-CD2 4.45Å |
| 151 | E | 97.4 | Very high | 94.9 | Very high | 91 Ų | 91 | 29.8 Ų | 29.8 | 43% | 0.425 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 173 | -71.7 | 179.8 | 152.5 | 0 | 0 | 111.1 | V147 A154 Q155 I292 | V147-E151 HydrophobicContact CG1-CG 4.12Å; V147-E151 WeakPolarHBondContact O-CG 3.45Å; V147-E151 PolarHBondContact O-N 2.66Å; E151-A154 PolarHBondContact O-N 3.48Å; E151-Q155 WeakPolarHBondContact O-CB 3.29Å; E151-Q155 PolarHBondContact O-N 3.26Å; E151-I292 HydrophobicContact CG-CG2 3.95Å |
| 152 | T | 98.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | F99 P100 A148 M149 V150 Q155 L156 F223 V237 V240 | F99-T152 HydrophobicContact CE2-CG2 4.12Å; F99-T152 HydrophobicContact CZ-CG2 3.79Å; P100-T152 HydrophobicContact CG-CG2 3.98Å; A148-T152 WeakPolarHBondContact O-CB 3.05Å; A148-T152 PolarHBondContact O-N 2.93Å; A148-T152 PolarHBondContact O-OG1 3.16Å; M149-T152 PolarHBondContact O-N 3.16Å; V150-T152 VanDerWaalsContact C-N 3.31Å; V150-T152 PolarHBondContact O-N 3.04Å; T152-Q155 WeakPolarHBondContact O-CB 3.28Å; T152-Q155 PolarHBondContact O-N 3.18Å; T152-L156 PolarHBondContact O-N 3.06Å; T152-F223 HydrophobicContact CG2-CZ 4.45Å; T152-V237 HydrophobicContact CG2-CB 4.4Å; T152-V237 HydrophobicContact CG2-CG1 4.08Å; T152-V237 WeakPolarHBondContact OG1-CB 3.36Å; T152-V237 WeakPolarHBondContact OG1-CG2 3.05Å; T152-V240 HydrophobicContact CG2-CG2 3.82Å |
| 153 | L | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 174.8 | -176.4 | 58.7 | 0 | 0 | 0 | 111.9 | M149 V150 Q155 L156 H157 F223 D254 L255 L258 Y293 | M149-L153 PolarHBondContact O-N 2.9Å; V150-L153 PolarHBondContact O-N 3.14Å; L153-Q155 VanDerWaalsContact C-N 3.32Å; L153-Q155 PolarHBondContact O-N 3.04Å; L153-L156 HydrophobicContact CD1-CD2 4.48Å; L153-L156 WeakPolarHBondContact O-CB 3.31Å; L153-L156 PolarHBondContact O-N 2.76Å; L153-H157 WeakPolarHBondContact CD1-CE1 3.23Å; L153-H157 WeakPolarHBondContact CD1-NE2 3.44Å; L153-H157 PolarHBondContact O-N 3.36Å; L153-H157 VanDerWaalsContact O-N 3.1Å; L153-F223 HydrophobicContact CB-CD1 4.21Å; L153-F223 HydrophobicContact CB-CE1 3.72Å; L153-F223 HydrophobicContact CB-CE2 4.41Å; L153-F223 HydrophobicContact CB-CZ 3.84Å; L153-F223 HydrophobicContact CD1-CB 4.25Å; L153-F223 HydrophobicContact CD1-CD1 3.97Å; L153-F223 HydrophobicContact CD1-CD2 3.87Å; L153-F223 HydrophobicContact CD1-CE1 4.24Å; L153-F223 HydrophobicContact CD1-CE2 4.15Å; L153-F223 HydrophobicContact CD1-CG 3.76Å; L153-F223 HydrophobicContact CD1-CZ 4.33Å; L153-F223 HydrophobicContact CD2-CD1 4.11Å; L153-F223 HydrophobicContact CD2-CE1 4.39Å; L153-F223 HydrophobicContact CG-CD1 4.32Å; L153-F223 HydrophobicContact CG-CE1 4.33Å; L153-D254 HydrophobicContact CD1-CB 3.94Å; L153-D254 HydrophobicContact CD2-CB 4.41Å; L153-L255 HydrophobicContact CD2-CB 4.4Å; L153-L255 HydrophobicContact CD2-CD1 4.21Å; L153-L258 HydrophobicContact CD2-CD2 3.84Å; L153-Y293 HydrophobicContact CG-CE2 4.26Å |
| 154 | A | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V150 E151 H157 S158 Y293 C296 R297 | V150-A154 WeakPolarHBondContact O-CB 3.26Å; V150-A154 PolarHBondContact O-N 3.23Å; E151-A154 PolarHBondContact O-N 3.48Å; A154-H157 PolarHBondContact O-N 2.84Å; A154-S158 WeakPolarHBondContact O-CB 3.24Å; A154-S158 PolarHBondContact O-N 3.21Å; A154-S158 PolarHBondContact O-OG 2.95Å; A154-S158 VanDerWaalsContact O-OG 3.09Å; A154-Y293 HydrophobicContact CB-CD2 3.79Å; A154-Y293 HydrophobicContact CB-CE2 4.13Å; A154-C296 HydrophobicContact CB-CB 3.43Å; A154-C296 VanDerWaalsContact CB-CB 3.43Å; A154-R297 HydrophobicContact CB-CG 4.11Å; A154-R297 WeakPolarHBondContact O-CD 3.36Å |
| 155 | Q | 97.3 | Very high | 93.8 | Very high | 85 Ų | 85 | 40.3 Ų | 40.3 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 174.7 | -174.5 | -174.1 | 2.1 | 0 | 0 | 111.4 | F99 E151 T152 L153 H157 S158 L159 | F99-Q155 HydrophobicContact CD2-CG 4.11Å; F99-Q155 HydrophobicContact CE2-CB 4.29Å; F99-Q155 HydrophobicContact CE2-CG 4.28Å; E151-Q155 WeakPolarHBondContact O-CB 3.29Å; E151-Q155 PolarHBondContact O-N 3.26Å; T152-Q155 WeakPolarHBondContact O-CB 3.28Å; T152-Q155 PolarHBondContact O-N 3.18Å; L153-Q155 VanDerWaalsContact C-N 3.32Å; L153-Q155 PolarHBondContact O-N 3.04Å; Q155-H157 VanDerWaalsContact C-N 3.33Å; Q155-H157 PolarHBondContact O-N 3.17Å; Q155-S158 PolarHBondContact O-N 3.47Å; Q155-S158 VanDerWaalsContact O-N 3.14Å; Q155-L159 PolarHBondContact O-N 2.86Å |
| 156 | L | 97.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.8 | -50 | 177.1 | 176.6 | 59 | 0 | 0 | 0 | 110.8 | L94 F99 T152 L153 S158 L159 L218 H220 W243 | L94-L156 HydrophobicContact CD2-CD1 3.93Å; F99-L156 HydrophobicContact CE1-CD1 4.36Å; F99-L156 HydrophobicContact CE2-CB 3.61Å; F99-L156 HydrophobicContact CE2-CD1 4.29Å; F99-L156 HydrophobicContact CZ-CB 3.73Å; F99-L156 HydrophobicContact CZ-CD1 4.13Å; F99-L156 HydrophobicContact CZ-CG 4.36Å; T152-L156 PolarHBondContact O-N 3.06Å; L153-L156 HydrophobicContact CD1-CD2 4.48Å; L153-L156 WeakPolarHBondContact O-CB 3.31Å; L153-L156 PolarHBondContact O-N 2.76Å; L156-S158 VanDerWaalsContact C-N 3.25Å; L156-S158 PolarHBondContact O-N 2.95Å; L156-L159 HydrophobicContact CD1-CD1 4.16Å; L156-L159 WeakPolarHBondContact O-CB 3.37Å; L156-L159 WeakPolarHBondContact O-CG 3.41Å; L156-L159 PolarHBondContact O-N 3.39Å; L156-L218 HydrophobicContact CD1-CD2 3.96Å; L156-L218 HydrophobicContact CD1-CG 4.18Å; L156-H220 HydrophobicContact CD2-CB 4.04Å; L156-W243 HydrophobicContact CD1-CH2 3.69Å; L156-W243 HydrophobicContact CD1-CZ3 4.03Å; L156-W243 HydrophobicContact CD2-CH2 3.83Å; L156-W243 HydrophobicContact CD2-CZ3 4.12Å; L156-W243 HydrophobicContact CG-CH2 4.41Å |
| 157 | H | 96.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.3 | -13.1 | -177.8 | -56.2 | 160.8 | 0 | 0 | 0 | 113.6 | L153 A154 Q155 L159 N217 L218 P251 D254 Y293 | L153-H157 WeakPolarHBondContact CD1-CE1 3.23Å; L153-H157 WeakPolarHBondContact CD1-NE2 3.44Å; L153-H157 PolarHBondContact O-N 3.36Å; L153-H157 VanDerWaalsContact O-N 3.1Å; A154-H157 PolarHBondContact O-N 2.84Å; Q155-H157 VanDerWaalsContact C-N 3.33Å; Q155-H157 PolarHBondContact O-N 3.17Å; H157-L159 VanDerWaalsContact C-N 3.34Å; H157-N217 PolarHBondContact O-ND2 2.9Å; H157-L218 PolarHBondContact CD2-O 3.12Å; H157-P251 HydrophobicContact CB-CB 3.93Å; H157-P251 PolarHBondContact CE1-O 2.87Å; H157-P251 WeakPolarHBondContact ND1-CB 3.44Å; H157-D254 IonicContact NE2-OD2 3.4Å; H157-D254 PolarHBondContact NE2-OD2 3.33Å; H157-Y293 AromaticContact ND1-CE2 3.49Å; H157-Y293 WeakPolarHBondContact ND1-CE2 3.39Å; H157-Y293 AromaticContact ND1-CZ 3.59Å; H157-Y293 PolarHBondContact ND1-OH 3.38Å |
| 158 | S | 94.9 | Very high | 92.2 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 44% | 0.441 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.8 | 171.7 | -72.1 | 0 | 0 | 0 | 0 | 113.3 | A154 Q155 L156 R297 | A154-S158 WeakPolarHBondContact O-CB 3.24Å; A154-S158 PolarHBondContact O-N 3.21Å; A154-S158 PolarHBondContact O-OG 2.95Å; A154-S158 VanDerWaalsContact O-OG 3.09Å; Q155-S158 PolarHBondContact O-N 3.47Å; Q155-S158 VanDerWaalsContact O-N 3.14Å; L156-S158 VanDerWaalsContact C-N 3.25Å; L156-S158 PolarHBondContact O-N 2.95Å; S158-R297 WeakPolarHBondContact OG-CD 3.19Å |
| 159 | L | 93.9 | Very high | 91.8 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -67.6 | 136.1 | 179.7 | -63.2 | 178.8 | 0 | 0 | 0 | 111.4 | L94 V97 F99 Q155 L156 H157 I161 L164 | L94-L159 HydrophobicContact CD2-CD1 3.44Å; L94-L159 VanDerWaalsContact CD2-CD1 3.44Å; V97-L159 HydrophobicContact CG2-CD1 4.36Å; V97-L159 HydrophobicContact CG2-CD2 4.2Å; F99-L159 HydrophobicContact CB-CD1 4.39Å; F99-L159 HydrophobicContact CD2-CD1 4.22Å; F99-L159 HydrophobicContact CG-CD1 4.36Å; Q155-L159 PolarHBondContact O-N 2.86Å; L156-L159 HydrophobicContact CD1-CD1 4.16Å; L156-L159 WeakPolarHBondContact O-CB 3.37Å; L156-L159 WeakPolarHBondContact O-CG 3.41Å; L156-L159 PolarHBondContact O-N 3.39Å; H157-L159 VanDerWaalsContact C-N 3.34Å; L159-I161 PolarHBondContact O-N 3.3Å; L159-L164 HydrophobicContact CB-CD1 4.19Å; L159-L164 HydrophobicContact CD1-CD1 4.3Å |
| 160 | N | 89.6 | Confident | 91.3 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 49% | 0.492 | 29% | 0.289 | S | S | . | . | trans | -77.4 | 109 | 173.1 | -179.3 | -4.8 | 0 | 0 | 0 | 110.1 | Q162 S163 | N160-Q162 PolarHBondContact O-N 2.83Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.15Å; N160-Q162 PolarHBondContact OD1-N 3.04Å; N160-S163 WeakPolarHBondContact O-CB 3.35Å; N160-S163 PolarHBondContact O-N 3.2Å; N160-S163 PolarHBondContact O-OG 2.97Å | ||
| 161 | I | 87.2 | Confident | 90.8 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -54 | -39.1 | 179.8 | -59.7 | 167.1 | 0 | 0 | 0 | 112 | L159 S163 L164 E216 I248 | L159-I161 PolarHBondContact O-N 3.3Å; I161-S163 PolarHBondContact O-N 3.46Å; I161-S163 VanDerWaalsContact O-N 3.15Å; I161-L164 PolarHBondContact O-N 3.17Å; I161-E216 VanDerWaalsContact CD1-C 3.46Å; I161-E216 HydrophobicContact CD1-CB 4.06Å; I161-E216 WeakPolarHBondContact CD1-O 3.45Å; I161-I248 HydrophobicContact CD1-CD1 3.89Å; I161-I248 HydrophobicContact CD1-CG2 3.8Å; I161-I248 HydrophobicContact CG1-CD1 4.16Å; I161-I248 HydrophobicContact CG2-CD1 3.91Å |
| 162 | Q | 84.9 | Confident | 90 | Very high | 172 Ų | 172 | 51.4 Ų | 51.4 | 80% | 0.804 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -62.8 | -24.3 | -177.5 | -61.3 | 179.2 | -6.3 | 0 | 0 | 112.2 | N160 | N160-Q162 PolarHBondContact O-N 2.83Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.15Å; N160-Q162 PolarHBondContact OD1-N 3.04Å |
| 163 | S | 86.5 | Confident | 89.5 | Confident | 70 Ų | 70 | 53 Ų | 53 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -84.1 | -15.4 | 176.8 | 71.3 | 0 | 0 | 0 | 0 | 114 | N160 I161 | N160-S163 WeakPolarHBondContact O-CB 3.35Å; N160-S163 PolarHBondContact O-N 3.2Å; N160-S163 PolarHBondContact O-OG 2.97Å; I161-S163 PolarHBondContact O-N 3.46Å; I161-S163 VanDerWaalsContact O-N 3.15Å |
| 164 | L | 86.9 | Confident | 89.1 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3 | -172.2 | -65.8 | 177.6 | 0 | 0 | 0 | 114.2 | A93 V97 L159 I161 L166 L218 | A93-L164 HydrophobicContact CB-CB 4.29Å; A93-L164 VanDerWaalsContact CB-O 3.26Å; A93-L164 WeakPolarHBondContact CB-O 3.28Å; V97-L164 HydrophobicContact CB-CD2 4.41Å; V97-L164 HydrophobicContact CG1-CD2 3.74Å; V97-L164 HydrophobicContact CG2-CD2 3.79Å; L159-L164 HydrophobicContact CB-CD1 4.19Å; L159-L164 HydrophobicContact CD1-CD1 4.3Å; I161-L164 PolarHBondContact O-N 3.17Å; L164-L166 HydrophobicContact CB-CB 4.46Å; L164-L166 HydrophobicContact CB-CD1 3.94Å; L164-L166 HydrophobicContact CB-CG 3.95Å; L164-L166 HydrophobicContact CD1-CD1 4.23Å; L164-L166 PolarHBondContact O-N 3.31Å; L164-L218 HydrophobicContact CD1-CD2 3.9Å |
| 165 | Q | 86.9 | Confident | 88.9 | Confident | 145 Ų | 145 | 54.4 Ų | 54.4 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38.9 | -177.3 | -57.3 | 179.9 | -4.8 | 0 | 0 | 112.8 | K89 | K89-Q165 WeakPolarHBondContact CE-O 3.37Å; K89-Q165 PolarHBondContact NZ-O 3.36Å |
| 166 | L | 87.7 | Confident | 88.8 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | trans | -106.1 | 38 | -179.8 | -68.4 | -179.9 | 0 | 0 | 0 | 111.3 | K89 V90 A93 L164 G168 Y169 L218 | K89-L166 HydrophobicContact CD-CD2 4.27Å; K89-L166 HydrophobicContact CG-CD2 4.04Å; V90-L166 HydrophobicContact CG2-CD1 4.01Å; A93-L166 HydrophobicContact CB-CD1 4.28Å; A93-L166 HydrophobicContact CB-CD2 4.09Å; A93-L166 HydrophobicContact CB-CG 4.12Å; L164-L166 HydrophobicContact CB-CB 4.46Å; L164-L166 HydrophobicContact CB-CD1 3.94Å; L164-L166 HydrophobicContact CB-CG 3.95Å; L164-L166 HydrophobicContact CD1-CD1 4.23Å; L164-L166 PolarHBondContact O-N 3.31Å; L166-G168 PolarHBondContact O-N 3.21Å; L166-Y169 HydrophobicContact CB-CG 4.32Å; L166-Y169 HydrophobicContact CD2-CD2 4.04Å; L166-Y169 HydrophobicContact CD2-CG 4.44Å; L166-Y169 WeakPolarHBondContact O-CB 3.34Å; L166-Y169 PolarHBondContact O-N 2.96Å; L166-L218 HydrophobicContact CD1-CD1 4.47Å; L166-L218 HydrophobicContact CD1-CD2 4.29Å | ||
| 167 | E | 82.1 | Confident | 88.7 | Confident | 136 Ų | 136 | 55.9 Ų | 55.9 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 133.4 | 177.9 | -58.5 | 79 | -171.1 | 0 | 0 | 110.5 | Y169 | E167-Y169 PolarHBondContact O-N 2.79Š|
| 168 | G | 82.6 | Confident | 88.6 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 86% | 0.856 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 9.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | L166 G170 | L166-G168 PolarHBondContact O-N 3.21Å; G168-G170 VanDerWaalsContact C-N 3.29Å; G168-G170 PolarHBondContact O-N 3.35Å |
| 169 | Y | 88.7 | Confident | 88.5 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -65.4 | -31 | -178.7 | -172.7 | -99.7 | 0 | 0 | 0 | 113.2 | R86 V90 L166 E167 L218 S246 I248 | R86-Y169 HydrophobicContact CB-CE2 4.47Å; R86-Y169 HydrophobicContact CG-CD2 3.89Å; R86-Y169 HydrophobicContact CG-CE2 3.18Å; R86-Y169 VanDerWaalsContact CZ-O 3.28Å; R86-Y169 PolarHBondContact NE-O 3.21Å; R86-Y169 PolarHBondContact NH2-O 3.41Å; V90-Y169 HydrophobicContact CB-CE2 3.89Å; V90-Y169 HydrophobicContact CG1-CE2 4.45Å; V90-Y169 WeakPolarHBondContact CG1-OH 3.41Å; V90-Y169 HydrophobicContact CG2-CE1 4.47Å; L166-Y169 HydrophobicContact CB-CG 4.32Å; L166-Y169 HydrophobicContact CD2-CD2 4.04Å; L166-Y169 HydrophobicContact CD2-CG 4.44Å; L166-Y169 WeakPolarHBondContact O-CB 3.34Å; L166-Y169 PolarHBondContact O-N 2.96Å; E167-Y169 PolarHBondContact O-N 2.79Å; Y169-L218 HydrophobicContact CD1-CD1 4.38Å; Y169-L218 HydrophobicContact CE1-CD1 4.11Å; Y169-S246 PolarHBondContact OH-OG 2.96Å; Y169-I248 HydrophobicContact CD1-CD1 4.33Å; Y169-I248 HydrophobicContact CD1-CG1 4.47Å |
| 170 | G | 86.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 57 Ų | 57 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | trans | -162.5 | 170.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G168 | G168-G170 VanDerWaalsContact C-N 3.29Å; G168-G170 PolarHBondContact O-N 3.35Å | ||
| 171 | V | 86.4 | Confident | 88.9 | Confident | 96 Ų | 96 | 54.6 Ų | 54.6 | 58% | 0.582 | 31% | 0.311 | S | S | * | . | trans | -103.7 | 119.1 | 171.6 | -176.4 | 0 | 0 | 0 | 0 | 106.4 | R178 | V171-R178 VanDerWaalsContact C-NH2 3.34Å; V171-R178 PolarHBondContact O-NH2 2.96Å | ||
| 172 | G | 79.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | trans | -82.2 | -67.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G174 Y175 R178 E216 | G172-G174 PolarHBondContact O-N 3.43Å; G172-Y175 VanDerWaalsContact O-CB 3.27Å; G172-Y175 WeakPolarHBondContact O-CB 3.39Å; G172-Y175 PolarHBondContact O-N 3.48Å; G172-R178 PolarHBondContact O-NH2 2.97Å; G172-E216 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 173 | A | 86.9 | Confident | 89.6 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | 123.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R178 E216 | A173-R178 PolarHBondContact O-NH1 2.93Å; A173-R178 PolarHBondContact O-NH2 2.82Å; A173-E216 PolarHBondContact N-OE1 3.47Å |
| 174 | G | 91 | Very high | 90 | Very high | 18 Ų | 18 | 47 Ų | 47 | 19% | 0.186 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 26 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G172 R178 D213 | G172-G174 PolarHBondContact O-N 3.43Å; G174-R178 PolarHBondContact O-N 2.94Å; G174-R178 VanDerWaalsContact O-N 3.08Å; G174-R178 PolarHBondContact O-NH1 2.82Å; G174-D213 WeakPolarHBondContact CA-O 3.38Å; G174-D213 VanDerWaalsContact CA-OD2 3.3Å; G174-D213 WeakPolarHBondContact CA-OD2 3.3Å; G174-D213 PolarHBondContact N-O 3.26Å |
| 175 | Y | 93.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -51.7 | -174.9 | 173.2 | -95.5 | 0 | 0 | 0 | 112.1 | G172 K177 R178 Q179 D213 I219 T247 G249 H250 | G172-Y175 VanDerWaalsContact O-CB 3.27Å; G172-Y175 WeakPolarHBondContact O-CB 3.39Å; G172-Y175 PolarHBondContact O-N 3.48Å; Y175-K177 PolarHBondContact O-N 3.13Å; Y175-R178 VanDerWaalsContact CA-NH2 3.3Å; Y175-R178 PolarHBondContact O-N 2.71Å; Y175-Q179 HydrophobicContact CD1-CG 4.05Å; Y175-Q179 HydrophobicContact CD2-CG 4.33Å; Y175-Q179 HydrophobicContact CE1-CG 3.55Å; Y175-Q179 HydrophobicContact CE2-CG 3.88Å; Y175-Q179 HydrophobicContact CG-CG 4.41Å; Y175-Q179 VanDerWaalsContact CZ-CG 3.45Å; Y175-Q179 WeakPolarHBondContact O-CG 3.1Å; Y175-Q179 PolarHBondContact O-N 3.23Å; Y175-D213 PolarHBondContact N-OD1 2.86Å; Y175-D213 PolarHBondContact N-OD2 3.28Å; Y175-I219 HydrophobicContact CE1-CD1 4.23Å; Y175-I219 HydrophobicContact CE2-CD1 3.66Å; Y175-I219 VanDerWaalsContact CZ-CD1 3.44Å; Y175-I219 VanDerWaalsContact OH-CD1 3.23Å; Y175-I219 WeakPolarHBondContact OH-CD1 3.45Å; Y175-T247 HydrophobicContact CE2-CG2 3.94Å; Y175-G249 VanDerWaalsContact CD2-CA 3.42Å; Y175-H250 HydrophobicContact CD1-CB 3.85Å; Y175-H250 HydrophobicContact CE1-CB 4.48Å |
| 176 | C | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | -177.8 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | R178 Q179 V180 L209 D213 F308 F309 | C176-R178 VanDerWaalsContact C-N 3.3Å; C176-R178 PolarHBondContact O-N 3Å; C176-Q179 PolarHBondContact O-N 2.9Å; C176-Q179 VanDerWaalsContact O-N 3.12Å; C176-V180 WeakPolarHBondContact O-CG2 3.41Å; C176-V180 PolarHBondContact O-N 3.14Å; C176-L209 HydrophobicContact CB-CD2 4.22Å; C176-D213 VanDerWaalsContact CB-CG 3.49Å; C176-D213 WeakPolarHBondContact CB-OD1 3.04Å; C176-D213 WeakPolarHBondContact CB-OD2 3.5Å; C176-D213 PolarHBondContact N-OD1 3.48Å; C176-D213 PolarHBondContact N-OD2 3.25Å; C176-D213 PolarHBondContact SG-OD1 3.5Å; C176-F308 HydrophobicContact CB-CE1 3.62Å; C176-F308 HydrophobicContact CB-CZ 3.77Å; C176-F309 VanDerWaalsContact SG-CE1 3.58Å |
| 177 | K | 94.8 | Very high | 90.7 | Very high | 116 Ų | 116 | 51.9 Ų | 51.9 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 176.8 | -173.8 | 174.1 | -178.6 | 176.6 | 0 | 112.4 | Y175 S181 L209 D213 | Y175-K177 PolarHBondContact O-N 3.13Å; K177-S181 WeakPolarHBondContact O-CB 3.35Å; K177-S181 PolarHBondContact O-N 2.97Å; K177-S181 PolarHBondContact O-OG 2.75Å; K177-L209 HydrophobicContact CB-CD1 3.84Å; K177-L209 HydrophobicContact CB-CD2 4.09Å; K177-L209 HydrophobicContact CD-CD1 4.03Å; K177-L209 HydrophobicContact CG-CD1 3.83Å; K177-D213 PolarHBondContact N-OD2 3.05Å |
| 178 | R | 94.4 | Very high | 91.1 | Very high | 83 Ų | 83 | 50.8 Ų | 50.8 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 175 | -80 | -167.1 | -61.4 | -71.4 | -6.9 | 112 | V171 G172 A173 G174 Y175 C176 S181 T182 | V171-R178 VanDerWaalsContact C-NH2 3.34Å; V171-R178 PolarHBondContact O-NH2 2.96Å; G172-R178 PolarHBondContact O-NH2 2.97Å; A173-R178 PolarHBondContact O-NH1 2.93Å; A173-R178 PolarHBondContact O-NH2 2.82Å; G174-R178 PolarHBondContact O-N 2.94Å; G174-R178 VanDerWaalsContact O-N 3.08Å; G174-R178 PolarHBondContact O-NH1 2.82Å; Y175-R178 VanDerWaalsContact CA-NH2 3.3Å; Y175-R178 PolarHBondContact O-N 2.71Å; C176-R178 VanDerWaalsContact C-N 3.3Å; C176-R178 PolarHBondContact O-N 3Å; R178-S181 PolarHBondContact O-N 3.48Å; R178-T182 VanDerWaalsContact O-CB 3.28Å; R178-T182 WeakPolarHBondContact O-CB 3.26Å; R178-T182 PolarHBondContact O-N 3.46Å; R178-T182 PolarHBondContact O-OG1 3.45Å |
| 179 | Q | 94.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -51 | 178.7 | -73 | -56.9 | -53.1 | 0 | 0 | 110.4 | Y175 C176 S181 T182 W183 L312 | Y175-Q179 HydrophobicContact CD1-CG 4.05Å; Y175-Q179 HydrophobicContact CD2-CG 4.33Å; Y175-Q179 HydrophobicContact CE1-CG 3.55Å; Y175-Q179 HydrophobicContact CE2-CG 3.88Å; Y175-Q179 HydrophobicContact CG-CG 4.41Å; Y175-Q179 VanDerWaalsContact CZ-CG 3.45Å; Y175-Q179 WeakPolarHBondContact O-CG 3.1Å; Y175-Q179 PolarHBondContact O-N 3.23Å; C176-Q179 PolarHBondContact O-N 2.9Å; C176-Q179 VanDerWaalsContact O-N 3.12Å; Q179-S181 PolarHBondContact O-N 3.46Å; Q179-T182 PolarHBondContact O-N 3.35Å; Q179-W183 WeakPolarHBondContact O-CB 3.48Å; Q179-W183 PolarHBondContact O-N 3.29Å; Q179-W183 VanDerWaalsContact OE1-NE1 3.08Å; Q179-L312 HydrophobicContact CB-CD1 4.15Å; Q179-L312 HydrophobicContact CB-CD2 4.18Å |
| 180 | V | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.8 | -51.6 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | C176 T182 W183 T184 L205 M206 L209 F308 L312 | C176-V180 WeakPolarHBondContact O-CG2 3.41Å; C176-V180 PolarHBondContact O-N 3.14Å; V180-T182 VanDerWaalsContact C-N 3.33Å; V180-T182 PolarHBondContact O-N 2.91Å; V180-W183 PolarHBondContact O-N 3.48Å; V180-T184 WeakPolarHBondContact O-CB 3.32Å; V180-T184 PolarHBondContact O-N 3.32Å; V180-T184 PolarHBondContact O-OG1 2.85Å; V180-L205 HydrophobicContact CB-CB 4.49Å; V180-L205 HydrophobicContact CG1-CB 3.8Å; V180-L205 HydrophobicContact CG2-CB 3.75Å; V180-L205 HydrophobicContact CG2-CD1 4.41Å; V180-M206 HydrophobicContact CB-CG 4.44Å; V180-M206 HydrophobicContact CB-SD 3.81Å; V180-M206 HydrophobicContact CG1-CG 3.51Å; V180-M206 HydrophobicContact CG1-SD 3.53Å; V180-M206 VanDerWaalsContact CG1-SD 3.53Å; V180-L209 HydrophobicContact CG2-CD2 4.44Å; V180-F308 HydrophobicContact CG2-CZ 4.14Å; V180-L312 HydrophobicContact CG2-CD1 3.73Å |
| 181 | S | 95.7 | Very high | 91.5 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | -179.2 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | K177 R178 Q179 K185 | K177-S181 WeakPolarHBondContact O-CB 3.35Å; K177-S181 PolarHBondContact O-N 2.97Å; K177-S181 PolarHBondContact O-OG 2.75Å; R178-S181 PolarHBondContact O-N 3.48Å; Q179-S181 PolarHBondContact O-N 3.46Å; S181-K185 WeakPolarHBondContact O-CG 3.45Å; S181-K185 PolarHBondContact O-N 2.97Å |
| 182 | T | 92.9 | Very high | 91.4 | Very high | 62 Ų | 62 | 51 Ų | 51 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.3 | -49.6 | 179 | -66.1 | 0 | 0 | 0 | 0 | 110.9 | R178 Q179 V180 T184 K185 Q186 | R178-T182 VanDerWaalsContact O-CB 3.28Å; R178-T182 WeakPolarHBondContact O-CB 3.26Å; R178-T182 PolarHBondContact O-N 3.46Å; R178-T182 PolarHBondContact O-OG1 3.45Å; Q179-T182 PolarHBondContact O-N 3.35Å; V180-T182 VanDerWaalsContact C-N 3.33Å; V180-T182 PolarHBondContact O-N 2.91Å; T182-T184 VanDerWaalsContact C-N 3.35Å; T182-T184 PolarHBondContact O-N 3.35Å; T182-K185 PolarHBondContact O-N 3.2Å; T182-Q186 HydrophobicContact CG2-CG 4.44Å; T182-Q186 WeakPolarHBondContact O-CG 3.46Å; T182-Q186 PolarHBondContact O-N 2.94Å |
| 183 | W | 93.9 | Very high | 91.7 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | -178.4 | -73.6 | 111.7 | 0 | 0 | 0 | 112.3 | Q179 V180 Q186 Y187 F315 K316 I320 | Q179-W183 WeakPolarHBondContact O-CB 3.48Å; Q179-W183 PolarHBondContact O-N 3.29Å; Q179-W183 VanDerWaalsContact OE1-NE1 3.08Å; V180-W183 PolarHBondContact O-N 3.48Å; W183-Q186 PolarHBondContact O-N 2.87Å; W183-Y187 VanDerWaalsContact O-CB 3.26Å; W183-Y187 WeakPolarHBondContact O-CB 3.45Å; W183-Y187 PolarHBondContact O-N 3.26Å; W183-F315 HydrophobicContact CB-CD1 3.83Å; W183-F315 HydrophobicContact CB-CE1 3.49Å; W183-F315 VanDerWaalsContact CB-CE1 3.49Å; W183-F315 HydrophobicContact CB-CZ 4.37Å; W183-K316 HydrophobicContact CD2-CB 4.27Å; W183-K316 HydrophobicContact CD2-CG 4.14Å; W183-K316 HydrophobicContact CG-CB 4.44Å; W183-K316 HydrophobicContact CH2-CG 4.16Å; W183-K316 HydrophobicContact CZ2-CD 3.91Å; W183-K316 HydrophobicContact CZ2-CG 3.57Å; W183-I320 HydrophobicContact CH2-CD1 3.85Å; W183-I320 HydrophobicContact CH2-CG1 3.34Å; W183-I320 HydrophobicContact CZ2-CD1 4.45Å; W183-I320 HydrophobicContact CZ2-CG1 4.34Å; W183-I320 HydrophobicContact CZ3-CD1 4.41Å; W183-I320 HydrophobicContact CZ3-CG1 3.49Å; W183-I320 VanDerWaalsContact CZ3-CG1 3.49Å |
| 184 | T | 94.7 | Very high | 91.7 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 170.7 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | V180 T182 Q186 Y187 Q188 S202 | V180-T184 WeakPolarHBondContact O-CB 3.32Å; V180-T184 PolarHBondContact O-N 3.32Å; V180-T184 PolarHBondContact O-OG1 2.85Å; T182-T184 VanDerWaalsContact C-N 3.35Å; T182-T184 PolarHBondContact O-N 3.35Å; T184-Q186 PolarHBondContact O-N 3.1Å; T184-Y187 PolarHBondContact O-N 3.07Å; T184-Q188 HydrophobicContact CG2-CG 4.48Å; T184-Q188 WeakPolarHBondContact O-CB 3.45Å; T184-Q188 VanDerWaalsContact O-CG 3.27Å; T184-Q188 WeakPolarHBondContact O-CG 3.35Å; T184-Q188 PolarHBondContact O-N 2.94Å; T184-S202 WeakPolarHBondContact CG2-OG 3.45Å; T184-S202 PolarHBondContact OG1-OG 3.31Å |
| 185 | K | 93.4 | Very high | 91.8 | Very high | 150 Ų | 150 | 59.1 Ų | 59.1 | 65% | 0.652 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | 178 | -74.1 | 175.6 | -178.4 | -179.2 | 0 | 112.2 | S181 T182 Q188 A189 | S181-K185 WeakPolarHBondContact O-CG 3.45Å; S181-K185 PolarHBondContact O-N 2.97Å; T182-K185 PolarHBondContact O-N 3.2Å; K185-Q188 PolarHBondContact O-N 3.24Å; K185-A189 WeakPolarHBondContact O-CB 3.48Å; K185-A189 PolarHBondContact O-N 2.79Å |
| 186 | Q | 89.8 | Confident | 91.8 | Very high | 96 Ų | 96 | 61.9 Ų | 61.9 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 178.7 | -75.1 | -177.8 | -11.2 | 0 | 0 | 111.8 | T182 W183 T184 A189 A190 | T182-Q186 HydrophobicContact CG2-CG 4.44Å; T182-Q186 WeakPolarHBondContact O-CG 3.46Å; T182-Q186 PolarHBondContact O-N 2.94Å; W183-Q186 PolarHBondContact O-N 2.87Å; T184-Q186 PolarHBondContact O-N 3.1Å; Q186-A189 PolarHBondContact O-N 3.45Å; Q186-A190 WeakPolarHBondContact O-CB 3.41Å; Q186-A190 PolarHBondContact O-N 2.97Å |
| 187 | Y | 92.1 | Very high | 91.7 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -50.3 | 174.8 | 173.3 | -101.3 | 0 | 0 | 0 | 111.3 | W183 T184 A189 A190 A191 I195 M198 Q322 V345 | W183-Y187 VanDerWaalsContact O-CB 3.26Å; W183-Y187 WeakPolarHBondContact O-CB 3.45Å; W183-Y187 PolarHBondContact O-N 3.26Å; T184-Y187 PolarHBondContact O-N 3.07Å; Y187-A189 VanDerWaalsContact C-N 3.3Å; Y187-A189 PolarHBondContact O-N 2.72Å; Y187-A190 CarbonylContact O-C 3.59Å; Y187-A190 PolarHBondContact O-N 3.27Å; Y187-A191 HydrophobicContact CE1-CB 4.22Å; Y187-A191 WeakPolarHBondContact O-CB 3.21Å; Y187-A191 PolarHBondContact O-N 3.47Å; Y187-I195 WeakPolarHBondContact OH-CB 3.46Å; Y187-M198 HydrophobicContact CD1-CB 4.38Å; Y187-M198 HydrophobicContact CD1-CE 4.15Å; Y187-M198 HydrophobicContact CD2-CE 3.37Å; Y187-M198 HydrophobicContact CD2-CG 4.32Å; Y187-M198 HydrophobicContact CE1-CB 3.77Å; Y187-M198 HydrophobicContact CE1-CG 4.32Å; Y187-M198 HydrophobicContact CE2-CB 4.14Å; Y187-M198 HydrophobicContact CE2-CE 3.83Å; Y187-M198 HydrophobicContact CE2-CG 3.75Å; Y187-M198 HydrophobicContact CG-CE 3.56Å; Y187-Q322 HydrophobicContact CD2-CB 3.89Å; Y187-Q322 HydrophobicContact CD2-CG 3.69Å; Y187-Q322 HydrophobicContact CE2-CB 4.16Å; Y187-Q322 HydrophobicContact CE2-CG 3.78Å; Y187-V345 HydrophobicContact CE2-CG1 4.19Å |
| 188 | Q | 91.5 | Very high | 91.7 | Very high | 112 Ų | 112 | 57 Ų | 57 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 179.9 | -74.8 | 173.2 | -16.6 | 0 | 0 | 112.6 | T184 K185 A190 | T184-Q188 HydrophobicContact CG2-CG 4.48Å; T184-Q188 WeakPolarHBondContact O-CB 3.45Å; T184-Q188 VanDerWaalsContact O-CG 3.27Å; T184-Q188 WeakPolarHBondContact O-CG 3.35Å; T184-Q188 PolarHBondContact O-N 2.94Å; K185-Q188 PolarHBondContact O-N 3.24Å; Q188-A190 VanDerWaalsContact C-N 3.28Å; Q188-A190 PolarHBondContact O-N 3.28Å |
| 189 | A | 89.1 | Confident | 91.7 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 76% | 0.76 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.2 | -26.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K185 Q186 Y187 | K185-A189 WeakPolarHBondContact O-CB 3.48Å; K185-A189 PolarHBondContact O-N 2.79Å; Q186-A189 PolarHBondContact O-N 3.45Å; Y187-A189 VanDerWaalsContact C-N 3.3Å; Y187-A189 PolarHBondContact O-N 2.72Å |
| 190 | A | 88.2 | Confident | 91.8 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -101.1 | -9.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q186 Y187 Q188 Q322 | Q186-A190 WeakPolarHBondContact O-CB 3.41Å; Q186-A190 PolarHBondContact O-N 2.97Å; Y187-A190 CarbonylContact O-C 3.59Å; Y187-A190 PolarHBondContact O-N 3.27Å; Q188-A190 VanDerWaalsContact C-N 3.28Å; Q188-A190 PolarHBondContact O-N 3.28Å; A190-Q322 HydrophobicContact CB-CG 3.91Å; A190-Q322 PolarHBondContact O-NE2 3.03Å |
| 191 | A | 87.5 | Confident | 91.7 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 35% | 0.347 | 32% | 0.32 | S | S | . | . | trans | -69.8 | 133.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y187 | Y187-A191 HydrophobicContact CE1-CB 4.22Å; Y187-A191 WeakPolarHBondContact O-CB 3.21Å; Y187-A191 PolarHBondContact O-N 3.47Å | ||
| 192 | H | 85.2 | Confident | 91.8 | Very high | 84 Ų | 84 | 57.8 Ų | 57.8 | 39% | 0.389 | 31% | 0.309 | S | S | . | . | trans | -124.9 | -11.1 | 177.6 | 61.1 | -81.3 | 0 | 0 | 0 | 112.2 | Q322 Y325 L329 | H192-Q322 PolarHBondContact CE1-NE2 2.74Å; H192-Q322 PolarHBondContact ND1-NE2 3.3Å; H192-Y325 AromaticContact CE1-CD1 3.33Å; H192-Y325 WeakPolarHBondContact CE1-CD1 3.5Å; H192-Y325 AromaticContact CE1-CE1 3.26Å; H192-Y325 WeakPolarHBondContact CE1-CE1 3.33Å; H192-Y325 AromaticContact NE2-CD1 3.98Å; H192-Y325 AromaticContact NE2-CE1 3.42Å; H192-Y325 WeakPolarHBondContact NE2-CE1 3.32Å; H192-L329 HydrophobicContact CB-CD1 4.3Å | ||
| 193 | Q | 86 | Confident | 91.9 | Very high | 96 Ų | 96 | 58 Ų | 58 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -139.8 | 157 | 174.4 | 67.2 | -178.7 | -0 | 0 | 0 | 109.1 | I195 | Q193-I195 HydrophobicContact CG-CG1 4.19Š|
| 194 | D | 86.8 | Confident | 92 | Very high | 134 Ų | 134 | 59.2 Ų | 59.2 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | trans | -78.4 | 129.7 | 175.5 | -171.1 | 23.3 | 0 | 0 | 0 | 110.7 | ||||
| 195 | I | 92.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | trans | -125.4 | 93 | 174.1 | -55.9 | 178.1 | 0 | 0 | 0 | 106.4 | Y187 Q193 A197 M198 Q199 V345 Q346 | Y187-I195 WeakPolarHBondContact OH-CB 3.46Å; Q193-I195 HydrophobicContact CG-CG1 4.19Å; I195-A197 HydrophobicContact CG2-CB 4.37Å; I195-A197 PolarHBondContact O-N 3.31Å; I195-M198 HydrophobicContact CB-CB 4.37Å; I195-M198 HydrophobicContact CB-CG 4.38Å; I195-M198 HydrophobicContact CG2-CB 4.39Å; I195-M198 HydrophobicContact CG2-CG 4.15Å; I195-M198 WeakPolarHBondContact O-CB 3.39Å; I195-M198 PolarHBondContact O-N 2.86Å; I195-Q199 PolarHBondContact O-N 2.83Å; I195-V345 HydrophobicContact CD1-CB 3.99Å; I195-V345 HydrophobicContact CD1-CG1 3.55Å; I195-Q346 HydrophobicContact CG2-CB 3.94Å; I195-Q346 HydrophobicContact CG2-CG 4.13Å | ||
| 196 | P | 93.8 | Very high | 92.2 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54.3 | -33.3 | -175 | -30.5 | 36.1 | 0 | 0 | 0 | 113.8 | M198 Q199 Q200 | P196-M198 VanDerWaalsContact C-N 3.34Å; P196-M198 PolarHBondContact O-N 3.19Å; P196-Q199 PolarHBondContact O-N 3.44Å; P196-Q200 WeakPolarHBondContact O-CB 3.35Å; P196-Q200 VanDerWaalsContact O-CG 3.29Å; P196-Q200 WeakPolarHBondContact O-CG 3.49Å; P196-Q200 PolarHBondContact O-N 3.31Å |
| 197 | A | 93.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | I195 L201 A349 E350 | I195-A197 HydrophobicContact CG2-CB 4.37Å; I195-A197 PolarHBondContact O-N 3.31Å; A197-L201 WeakPolarHBondContact O-CB 3.46Å; A197-L201 PolarHBondContact O-N 3.22Å; A197-A349 HydrophobicContact CB-CB 3.85Å; A197-E350 HydrophobicContact CB-CG 3.74Å |
| 198 | M | 94.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -43 | 177.3 | -83.1 | -62.4 | -79.4 | 0 | 0 | 111.7 | Y187 I195 P196 L201 S202 F315 A318 V345 A349 | Y187-M198 HydrophobicContact CD1-CB 4.38Å; Y187-M198 HydrophobicContact CD1-CE 4.15Å; Y187-M198 HydrophobicContact CD2-CE 3.37Å; Y187-M198 HydrophobicContact CD2-CG 4.32Å; Y187-M198 HydrophobicContact CE1-CB 3.77Å; Y187-M198 HydrophobicContact CE1-CG 4.32Å; Y187-M198 HydrophobicContact CE2-CB 4.14Å; Y187-M198 HydrophobicContact CE2-CE 3.83Å; Y187-M198 HydrophobicContact CE2-CG 3.75Å; Y187-M198 HydrophobicContact CG-CE 3.56Å; I195-M198 HydrophobicContact CB-CB 4.37Å; I195-M198 HydrophobicContact CB-CG 4.38Å; I195-M198 HydrophobicContact CG2-CB 4.39Å; I195-M198 HydrophobicContact CG2-CG 4.15Å; I195-M198 WeakPolarHBondContact O-CB 3.39Å; I195-M198 PolarHBondContact O-N 2.86Å; P196-M198 VanDerWaalsContact C-N 3.34Å; P196-M198 PolarHBondContact O-N 3.19Å; M198-L201 PolarHBondContact O-N 2.98Å; M198-S202 WeakPolarHBondContact O-CB 3.37Å; M198-S202 PolarHBondContact O-N 3.34Å; M198-F315 HydrophobicContact CE-CD2 3.63Å; M198-F315 HydrophobicContact CE-CE2 3.42Å; M198-F315 VanDerWaalsContact CE-CE2 3.42Å; M198-F315 HydrophobicContact CE-CZ 4.35Å; M198-F315 HydrophobicContact SD-CD2 3.85Å; M198-F315 HydrophobicContact SD-CE2 4.04Å; M198-A318 HydrophobicContact CE-CB 3.98Å; M198-A318 HydrophobicContact SD-CB 3.48Å; M198-A318 WeakPolarHBondContact SD-CB 2.95Å; M198-V345 HydrophobicContact CG-CG1 4.32Å; M198-A349 HydrophobicContact CB-CB 4.43Å; M198-A349 HydrophobicContact CG-CB 3.56Å; M198-A349 HydrophobicContact SD-CB 3.5Å; M198-A349 WeakPolarHBondContact SD-CB 3.34Å |
| 199 | Q | 93.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 177.8 | -175.4 | 56.6 | 47.1 | 0 | 0 | 110.9 | I195 P196 L201 S202 D203 | I195-Q199 PolarHBondContact O-N 2.83Å; P196-Q199 PolarHBondContact O-N 3.44Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.08Å; Q199-S202 PolarHBondContact O-N 3.01Å; Q199-D203 VanDerWaalsContact NE2-CG 3.29Å; Q199-D203 PolarHBondContact NE2-OD1 3.06Å; Q199-D203 PolarHBondContact NE2-OD2 3.37Å; Q199-D203 VanDerWaalsContact O-CG 3.3Å; Q199-D203 PolarHBondContact O-N 2.93Å |
| 200 | Q | 95.6 | Very high | 92.5 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 177.4 | -71.1 | 177 | 30.6 | 0 | 0 | 112.6 | P196 W204 L353 | P196-Q200 WeakPolarHBondContact O-CB 3.35Å; P196-Q200 VanDerWaalsContact O-CG 3.29Å; P196-Q200 WeakPolarHBondContact O-CG 3.49Å; P196-Q200 PolarHBondContact O-N 3.31Å; Q200-W204 VanDerWaalsContact O-CB 3.3Å; Q200-W204 WeakPolarHBondContact O-CB 3.36Å; Q200-W204 PolarHBondContact O-N 3.15Å; Q200-L353 HydrophobicContact CB-CD1 4.19Å; Q200-L353 HydrophobicContact CB-CD2 3.98Å |
| 201 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 177.9 | -177.1 | 56.2 | 0 | 0 | 0 | 111.6 | A197 M198 Q199 D203 W204 L205 A311 F315 | A197-L201 WeakPolarHBondContact O-CB 3.46Å; A197-L201 PolarHBondContact O-N 3.22Å; M198-L201 PolarHBondContact O-N 2.98Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.08Å; L201-D203 PolarHBondContact O-N 3.35Å; L201-W204 PolarHBondContact O-N 3.15Å; L201-L205 HydrophobicContact CD1-CD1 4.28Å; L201-L205 HydrophobicContact CD1-CG 4.32Å; L201-L205 HydrophobicContact CG-CD1 4.12Å; L201-L205 WeakPolarHBondContact O-CB 3.23Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.33Å; L201-L205 PolarHBondContact O-N 3.19Å; L201-A311 HydrophobicContact CD1-CB 4.01Å; L201-F315 HydrophobicContact CB-CD2 4.46Å; L201-F315 HydrophobicContact CD2-CB 3.8Å; L201-F315 HydrophobicContact CD2-CD2 4.01Å; L201-F315 HydrophobicContact CD2-CG 4.37Å; L201-F315 HydrophobicContact CG-CB 4.16Å; L201-F315 HydrophobicContact CG-CD2 4.06Å; L201-F315 HydrophobicContact CG-CG 4.43Å |
| 202 | S | 96.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.8 | -48.6 | 174.2 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | T184 M198 Q199 W204 L205 M206 | T184-S202 WeakPolarHBondContact CG2-OG 3.45Å; T184-S202 PolarHBondContact OG1-OG 3.31Å; M198-S202 WeakPolarHBondContact O-CB 3.37Å; M198-S202 PolarHBondContact O-N 3.34Å; Q199-S202 PolarHBondContact O-N 3.01Å; S202-W204 PolarHBondContact O-N 3.36Å; S202-L205 PolarHBondContact O-N 2.93Å; S202-M206 PolarHBondContact O-N 3.27Å |
| 203 | D | 95.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | -179.9 | -69.9 | -24 | 0 | 0 | 0 | 112.1 | Q199 L201 K207 | Q199-D203 VanDerWaalsContact NE2-CG 3.29Å; Q199-D203 PolarHBondContact NE2-OD1 3.06Å; Q199-D203 PolarHBondContact NE2-OD2 3.37Å; Q199-D203 VanDerWaalsContact O-CG 3.3Å; Q199-D203 PolarHBondContact O-N 2.93Å; L201-D203 PolarHBondContact O-N 3.35Å; D203-K207 WeakPolarHBondContact O-CB 3.36Å; D203-K207 VanDerWaalsContact O-CG 3.3Å; D203-K207 WeakPolarHBondContact O-CG 3.19Å; D203-K207 PolarHBondContact O-N 2.82Å |
| 204 | W | 95.8 | Very high | 91.3 | Very high | 58 Ų | 58 | 60.3 Ų | 60.3 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 176 | -176.1 | 93.2 | 0 | 0 | 0 | 111.2 | Q200 L201 S202 M206 K207 N208 F308 A311 S356 | Q200-W204 VanDerWaalsContact O-CB 3.3Å; Q200-W204 WeakPolarHBondContact O-CB 3.36Å; Q200-W204 PolarHBondContact O-N 3.15Å; L201-W204 PolarHBondContact O-N 3.15Å; S202-W204 PolarHBondContact O-N 3.36Å; W204-M206 PolarHBondContact O-N 2.93Å; W204-K207 PolarHBondContact O-N 3.12Å; W204-N208 HydrophobicContact CD2-CB 4.36Å; W204-N208 HydrophobicContact CE3-CB 4.44Å; W204-N208 HydrophobicContact CH2-CB 4.09Å; W204-N208 HydrophobicContact CZ2-CB 4.01Å; W204-N208 HydrophobicContact CZ3-CB 4.31Å; W204-N208 PolarHBondContact NE1-ND2 3.48Å; W204-N208 WeakPolarHBondContact O-CB 3.32Å; W204-N208 PolarHBondContact O-N 3.13Å; W204-N208 PolarHBondContact O-ND2 3.3Å; W204-F308 HydrophobicContact CH2-CB 4.34Å; W204-F308 HydrophobicContact CZ3-CB 4.39Å; W204-F308 HydrophobicContact CZ3-CD2 4.1Å; W204-A311 HydrophobicContact CE3-CB 4.5Å; W204-A311 HydrophobicContact CZ3-CB 4Å; W204-S356 VanDerWaalsContact CZ2-O 3.32Å; W204-S356 WeakPolarHBondContact CZ2-O 3.46Å |
| 205 | L | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 178.4 | -74.7 | 167.9 | 0 | 0 | 0 | 111.3 | V180 L201 S202 K207 N208 L209 F308 A311 L312 F315 | V180-L205 HydrophobicContact CB-CB 4.49Å; V180-L205 HydrophobicContact CG1-CB 3.8Å; V180-L205 HydrophobicContact CG2-CB 3.75Å; V180-L205 HydrophobicContact CG2-CD1 4.41Å; L201-L205 HydrophobicContact CD1-CD1 4.28Å; L201-L205 HydrophobicContact CD1-CG 4.32Å; L201-L205 HydrophobicContact CG-CD1 4.12Å; L201-L205 WeakPolarHBondContact O-CB 3.23Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.33Å; L201-L205 PolarHBondContact O-N 3.19Å; S202-L205 PolarHBondContact O-N 2.93Å; L205-K207 VanDerWaalsContact C-N 3.25Å; L205-K207 PolarHBondContact O-N 3.31Å; L205-N208 PolarHBondContact O-N 2.95Å; L205-L209 PolarHBondContact O-N 3.31Å; L205-F308 HydrophobicContact CB-CE2 4.19Å; L205-F308 HydrophobicContact CD2-CD2 3.69Å; L205-F308 HydrophobicContact CD2-CE2 3.55Å; L205-F308 HydrophobicContact CD2-CG 4.37Å; L205-F308 HydrophobicContact CD2-CZ 4.11Å; L205-F308 WeakPolarHBondContact O-CE2 3.23Å; L205-A311 HydrophobicContact CD2-CB 3.97Å; L205-L312 HydrophobicContact CD1-CD1 4.27Å; L205-L312 HydrophobicContact CD2-CB 4.07Å; L205-F315 HydrophobicContact CD1-CB 3.64Å; L205-F315 HydrophobicContact CD1-CD1 3.74Å; L205-F315 HydrophobicContact CD1-CD2 4.4Å; L205-F315 HydrophobicContact CD1-CE1 4.49Å; L205-F315 HydrophobicContact CD1-CG 3.68Å |
| 206 | M | 95.6 | Very high | 91 | Very high | 74 Ų | 74 | 61.4 Ų | 61.4 | 37% | 0.365 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 177.9 | -77.7 | -59 | -78.6 | 0 | 0 | 113.4 | V180 S202 W204 | V180-M206 HydrophobicContact CB-CG 4.44Å; V180-M206 HydrophobicContact CB-SD 3.81Å; V180-M206 HydrophobicContact CG1-CG 3.51Å; V180-M206 HydrophobicContact CG1-SD 3.53Å; V180-M206 VanDerWaalsContact CG1-SD 3.53Å; S202-M206 PolarHBondContact O-N 3.27Å; W204-M206 PolarHBondContact O-N 2.93Å |
| 207 | K | 94 | Very high | 90.9 | Very high | 173 Ų | 173 | 58.8 Ų | 58.8 | 75% | 0.752 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -82.4 | -19.8 | 179.4 | -72.3 | 173.5 | -176.9 | 174 | 0 | 114 | D203 W204 L205 | D203-K207 WeakPolarHBondContact O-CB 3.36Å; D203-K207 VanDerWaalsContact O-CG 3.3Å; D203-K207 WeakPolarHBondContact O-CG 3.19Å; D203-K207 PolarHBondContact O-N 2.82Å; W204-K207 PolarHBondContact O-N 3.12Å; L205-K207 VanDerWaalsContact C-N 3.25Å; L205-K207 PolarHBondContact O-N 3.31Å |
| 208 | N | 93.3 | Very high | 91 | Very high | 69 Ų | 69 | 58.3 Ų | 58.3 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -119.9 | 35.9 | -172.6 | -65.4 | -91.4 | 0 | 0 | 0 | 112.3 | W204 L205 F308 | W204-N208 HydrophobicContact CD2-CB 4.36Å; W204-N208 HydrophobicContact CE3-CB 4.44Å; W204-N208 HydrophobicContact CH2-CB 4.09Å; W204-N208 HydrophobicContact CZ2-CB 4.01Å; W204-N208 HydrophobicContact CZ3-CB 4.31Å; W204-N208 PolarHBondContact NE1-ND2 3.48Å; W204-N208 WeakPolarHBondContact O-CB 3.32Å; W204-N208 PolarHBondContact O-N 3.13Å; W204-N208 PolarHBondContact O-ND2 3.3Å; L205-N208 PolarHBondContact O-N 2.95Å; N208-F308 WeakPolarHBondContact O-CD2 3.16Å |
| 209 | L | 92.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | trans | -59 | 139 | 176.5 | -67.6 | 169.7 | 0 | 0 | 0 | 110.7 | C176 K177 V180 L205 F308 | C176-L209 HydrophobicContact CB-CD2 4.22Å; K177-L209 HydrophobicContact CB-CD1 3.84Å; K177-L209 HydrophobicContact CB-CD2 4.09Å; K177-L209 HydrophobicContact CD-CD1 4.03Å; K177-L209 HydrophobicContact CG-CD1 3.83Å; V180-L209 HydrophobicContact CG2-CD2 4.44Å; L205-L209 PolarHBondContact O-N 3.31Å; L209-F308 HydrophobicContact CD2-CE2 4.07Å; L209-F308 HydrophobicContact CD2-CZ 3.88Å | ||
| 210 | P | 89.3 | Confident | 91.2 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | trans | -59.8 | 139.5 | 177 | -24.2 | 33.9 | 0 | 0 | 0 | 112.6 | N212 D213 N305 F308 F309 | P210-N212 PolarHBondContact O-N 3.3Å; P210-D213 PolarHBondContact O-N 2.92Å; P210-N305 HydrophobicContact CB-CB 4.25Å; P210-N305 HydrophobicContact CG-CB 4.14Å; P210-F308 HydrophobicContact CG-CD1 3.56Å; P210-F308 HydrophobicContact CG-CE1 3.83Å; P210-F308 HydrophobicContact CG-CG 4.06Å; P210-F308 HydrophobicContact CG-CZ 4.5Å; P210-F309 HydrophobicContact CG-CE2 4.04Å; P210-F309 HydrophobicContact CG-CZ 3.86Å | ||
| 211 | D | 80.3 | Confident | 91 | Very high | 161 Ų | 161 | 50.1 Ų | 50.1 | 86% | 0.861 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.3 | 176.8 | -62.4 | -38.1 | 0 | 0 | 0 | 112.8 | ||
| 212 | N | 74.9 | Confident | 90.8 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 42.3 | 179.1 | -162.5 | 25.8 | 0 | 0 | 0 | 113.2 | P210 N214 E215 | P210-N212 PolarHBondContact O-N 3.3Å; N212-N214 PolarHBondContact O-N 3.43Å; N212-E215 PolarHBondContact O-N 3.28Å |
| 213 | D | 83.6 | Confident | 90.7 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.08 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 17.2 | 175.3 | -163.7 | 22.6 | 0 | 0 | 0 | 114.1 | G174 Y175 C176 K177 P210 | G174-D213 WeakPolarHBondContact CA-O 3.38Å; G174-D213 VanDerWaalsContact CA-OD2 3.3Å; G174-D213 WeakPolarHBondContact CA-OD2 3.3Å; G174-D213 PolarHBondContact N-O 3.26Å; Y175-D213 PolarHBondContact N-OD1 2.86Å; Y175-D213 PolarHBondContact N-OD2 3.28Å; C176-D213 VanDerWaalsContact CB-CG 3.49Å; C176-D213 WeakPolarHBondContact CB-OD1 3.04Å; C176-D213 WeakPolarHBondContact CB-OD2 3.5Å; C176-D213 PolarHBondContact N-OD1 3.48Å; C176-D213 PolarHBondContact N-OD2 3.25Å; C176-D213 PolarHBondContact SG-OD1 3.5Å; K177-D213 PolarHBondContact N-OD2 3.05Å; P210-D213 PolarHBondContact O-N 2.92Å |
| 214 | N | 82.2 | Confident | 90.4 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 1.1 | 178.3 | -63.1 | -39.9 | 0 | 0 | 0 | 113.6 | N212 E216 | N212-N214 PolarHBondContact O-N 3.43Å; N214-E216 WeakPolarHBondContact O-CG 3.4Å; N214-E216 PolarHBondContact O-N 3.02Å |
| 215 | E | 85.2 | Confident | 90.2 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | trans | -63.4 | 128 | 174.2 | -168.5 | 176 | 174.6 | 0 | 0 | 110.6 | N212 N217 H250 P251 R297 | N212-E215 PolarHBondContact O-N 3.28Å; E215-N217 VanDerWaalsContact CG-OD1 3.28Å; E215-N217 WeakPolarHBondContact CG-OD1 3.43Å; E215-N217 PolarHBondContact OE1-OD1 2.92Å; E215-H250 IonicContact OE2-CE1 2.69Å; E215-H250 IonicContact OE2-NE2 3.61Å; E215-P251 HydrophobicContact CG-CG 4.4Å; E215-P251 VanDerWaalsContact OE1-CG 3.29Å; E215-P251 WeakPolarHBondContact OE1-CG 3.46Å; E215-R297 IonicContact OE1-NH2 2.67Å; E215-R297 PolarHBondContact OE1-NH2 3.38Å | ||
| 216 | E | 88.5 | Confident | 89.8 | Confident | 104 Ų | 104 | 50.8 Ų | 50.8 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | trans | -116.2 | 103.2 | -176.8 | -52.1 | -159.3 | 136.3 | 0 | 0 | 110.1 | I161 G172 A173 N214 I248 | I161-E216 VanDerWaalsContact CD1-C 3.46Å; I161-E216 HydrophobicContact CD1-CB 4.06Å; I161-E216 WeakPolarHBondContact CD1-O 3.45Å; G172-E216 WeakPolarHBondContact CA-OE1 3.46Å; A173-E216 PolarHBondContact N-OE1 3.47Å; N214-E216 WeakPolarHBondContact O-CG 3.4Å; N214-E216 PolarHBondContact O-N 3.02Å; E216-I248 HydrophobicContact CB-CG2 3.84Å | ||
| 217 | N | 92.5 | Very high | 89.7 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.5 | 170.4 | -63.8 | 90.1 | 0 | 0 | 0 | 110.3 | H157 E215 I219 I248 G249 P251 | H157-N217 PolarHBondContact O-ND2 2.9Å; E215-N217 VanDerWaalsContact CG-OD1 3.28Å; E215-N217 WeakPolarHBondContact CG-OD1 3.43Å; E215-N217 PolarHBondContact OE1-OD1 2.92Å; N217-I219 PolarHBondContact O-N 3.47Å; N217-I248 CarbonylContact O-C 3.58Å; N217-I248 WeakPolarHBondContact O-CA 3.44Å; N217-G249 PolarHBondContact N-O 2.88Å; N217-G249 PolarHBondContact O-N 2.78Å; N217-G249 VanDerWaalsContact O-O 3.11Å; N217-P251 HydrophobicContact CB-CB 4.1Å; N217-P251 HydrophobicContact CB-CG 4.27Å; N217-P251 VanDerWaalsContact OD1-CD 3.31Å; N217-P251 WeakPolarHBondContact OD1-CD 3.27Å; N217-P251 WeakPolarHBondContact OD1-CG 3.26Å |
| 218 | L | 95.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 120.1 | 164.2 | 178 | 62.6 | 0 | 0 | 0 | 107.8 | V90 L94 L156 H157 L164 L166 Y169 I248 | V90-L218 HydrophobicContact CG2-CD1 4.09Å; V90-L218 HydrophobicContact CG2-CD2 4.01Å; L94-L218 HydrophobicContact CD1-CD2 4.4Å; L94-L218 HydrophobicContact CD2-CD2 3.75Å; L94-L218 HydrophobicContact CG-CD2 4.26Å; L156-L218 HydrophobicContact CD1-CD2 3.96Å; L156-L218 HydrophobicContact CD1-CG 4.18Å; H157-L218 PolarHBondContact CD2-O 3.12Å; L164-L218 HydrophobicContact CD1-CD2 3.9Å; L166-L218 HydrophobicContact CD1-CD1 4.47Å; L166-L218 HydrophobicContact CD1-CD2 4.29Å; Y169-L218 HydrophobicContact CD1-CD1 4.38Å; Y169-L218 HydrophobicContact CE1-CD1 4.11Å; L218-I248 HydrophobicContact CB-CD1 4.34Å; L218-I248 HydrophobicContact CD1-CD1 4.16Å |
| 219 | I | 95.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 146.5 | 176.2 | 60.9 | 165.8 | 0 | 0 | 0 | 109.7 | Y175 N217 S246 T247 D254 | Y175-I219 HydrophobicContact CE1-CD1 4.23Å; Y175-I219 HydrophobicContact CE2-CD1 3.66Å; Y175-I219 VanDerWaalsContact CZ-CD1 3.44Å; Y175-I219 VanDerWaalsContact OH-CD1 3.23Å; Y175-I219 WeakPolarHBondContact OH-CD1 3.45Å; N217-I219 PolarHBondContact O-N 3.47Å; I219-S246 WeakPolarHBondContact O-CA 3.26Å; I219-S246 WeakPolarHBondContact O-CB 3.39Å; I219-T247 HydrophobicContact CD1-CG2 3.78Å; I219-T247 HydrophobicContact CG1-CG2 3.77Å; I219-T247 VanDerWaalsContact CG1-O 3.22Å; I219-T247 WeakPolarHBondContact CG1-O 3.37Å; I219-T247 PolarHBondContact N-O 3.41Å; I219-T247 PolarHBondContact O-N 2.85Å; I219-D254 WeakPolarHBondContact CA-OD2 3.41Å; I219-D254 WeakPolarHBondContact CB-OD2 3.41Å |
| 220 | H | 96.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -73.7 | -40.3 | 176.4 | -168.2 | -85.1 | 0 | 0 | 0 | 112.1 | L156 D222 F223 L241 D242 W243 L245 S246 D254 | L156-H220 HydrophobicContact CD2-CB 4.04Å; H220-D222 PolarHBondContact CE1-O 3.32Å; H220-D222 PolarHBondContact ND1-N 3.5Å; H220-D222 PolarHBondContact ND1-O 3.01Å; H220-D222 VanDerWaalsContact ND1-O 3.15Å; H220-D222 PolarHBondContact O-N 3.43Å; H220-F223 HydrophobicContact CB-CB 4Å; H220-F223 HydrophobicContact CB-CD2 4.05Å; H220-F223 PolarHBondContact ND1-N 3.44Å; H220-L241 PolarHBondContact CE1-O 2.99Å; H220-L241 VanDerWaalsContact CE1-O 3.24Å; H220-L241 PolarHBondContact NE2-O 3.39Å; H220-D242 PolarHBondContact CE1-O 3.22Å; H220-D242 PolarHBondContact NE2-O 3.03Å; H220-W243 AromaticContact CD2-CD2 3.84Å; H220-W243 AromaticContact CD2-CE2 3.83Å; H220-W243 AromaticContact CD2-CE3 3.8Å; H220-W243 AromaticContact CD2-CH2 3.74Å; H220-W243 AromaticContact CD2-CZ2 3.79Å; H220-W243 AromaticContact CD2-CZ3 3.75Å; H220-L245 CarbonylContact O-C 3.47Å; H220-S246 VanDerWaalsContact O-CA 3.24Å; H220-S246 WeakPolarHBondContact O-CA 3.5Å; H220-S246 PolarHBondContact O-N 3.1Å; H220-S246 VanDerWaalsContact O-N 3.14Å; H220-D254 WeakPolarHBondContact CA-OD2 3.3Å; H220-D254 WeakPolarHBondContact CB-OD2 3.43Å; H220-D254 PolarHBondContact N-OD2 3.5Å | ||
| 221 | G | 91.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 80.3 | -16 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | D254 K316 | G221-D254 WeakPolarHBondContact CA-OD1 3.49Å; G221-D254 PolarHBondContact N-OD1 3.43Å; G221-D254 PolarHBondContact N-OD2 3.23Å; G221-K316 PolarHBondContact O-NZ 3.37Å |
| 222 | D | 91.4 | Very high | 91 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -144.7 | 51.8 | 168.5 | -168.1 | 33.7 | 0 | 0 | 0 | 112.5 | H220 R224 N227 L245 H257 | H220-D222 PolarHBondContact CE1-O 3.32Å; H220-D222 PolarHBondContact ND1-N 3.5Å; H220-D222 PolarHBondContact ND1-O 3.01Å; H220-D222 VanDerWaalsContact ND1-O 3.15Å; H220-D222 PolarHBondContact O-N 3.43Å; D222-R224 PolarHBondContact O-N 3.18Å; D222-R224 VanDerWaalsContact OD1-CD 3.27Å; D222-R224 WeakPolarHBondContact OD1-CD 3.42Å; D222-N227 PolarHBondContact O-ND2 3.5Å; D222-N227 PolarHBondContact OD2-ND2 2.71Å; D222-L245 HydrophobicContact CB-CD1 4.22Å; D222-H257 IonicContact OD1-CD2 3.32Å; D222-H257 IonicContact OD1-CE1 3.48Å; D222-H257 IonicContact OD1-NE2 3.96Å; D222-H257 PolarHBondContact OD1-NE2 3.06Å |
| 223 | F | 94.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | trans | -78 | 111.8 | -178.3 | -162.9 | -90.1 | 0 | 0 | 0 | 110.8 | M149 T152 L153 H220 I228 V240 D254 L258 | M149-F223 HydrophobicContact CG-CE1 3.74Å; M149-F223 HydrophobicContact CG-CZ 4.48Å; M149-F223 WeakPolarHBondContact O-CE1 3.4Å; T152-F223 HydrophobicContact CG2-CZ 4.45Å; L153-F223 HydrophobicContact CB-CD1 4.21Å; L153-F223 HydrophobicContact CB-CE1 3.72Å; L153-F223 HydrophobicContact CB-CE2 4.41Å; L153-F223 HydrophobicContact CB-CZ 3.84Å; L153-F223 HydrophobicContact CD1-CB 4.25Å; L153-F223 HydrophobicContact CD1-CD1 3.97Å; L153-F223 HydrophobicContact CD1-CD2 3.87Å; L153-F223 HydrophobicContact CD1-CE1 4.24Å; L153-F223 HydrophobicContact CD1-CE2 4.15Å; L153-F223 HydrophobicContact CD1-CG 3.76Å; L153-F223 HydrophobicContact CD1-CZ 4.33Å; L153-F223 HydrophobicContact CD2-CD1 4.11Å; L153-F223 HydrophobicContact CD2-CE1 4.39Å; L153-F223 HydrophobicContact CG-CD1 4.32Å; L153-F223 HydrophobicContact CG-CE1 4.33Å; H220-F223 HydrophobicContact CB-CB 4Å; H220-F223 HydrophobicContact CB-CD2 4.05Å; H220-F223 PolarHBondContact ND1-N 3.44Å; F223-I228 HydrophobicContact CE1-CD1 3.86Å; F223-I228 HydrophobicContact CZ-CD1 3.86Å; F223-V240 HydrophobicContact CD2-CG1 4.23Å; F223-V240 HydrophobicContact CE2-CG1 3.97Å; F223-V240 HydrophobicContact CE2-CG2 4.17Å; F223-D254 HydrophobicContact CB-CB 4.49Å; F223-L258 HydrophobicContact CD1-CD1 4.08Å; F223-L258 HydrophobicContact CD1-CD2 4.19Å; F223-L258 HydrophobicContact CE1-CD2 4.31Å | ||
| 224 | R | 90.5 | Very high | 92 | Very high | 72 Ų | 72 | 39.9 Ų | 39.9 | 27% | 0.272 | 19% | 0.194 | S | C | . | . | trans | -154.9 | 160.9 | -174.5 | 53.3 | -173.5 | -66.6 | -172.8 | -10.8 | 112.1 | D222 D226 N227 | D222-R224 PolarHBondContact O-N 3.18Å; D222-R224 VanDerWaalsContact OD1-CD 3.27Å; D222-R224 WeakPolarHBondContact OD1-CD 3.42Å; R224-D226 VanDerWaalsContact C-N 3.32Å; R224-D226 WeakPolarHBondContact CD-OD1 3.44Å; R224-D226 VanDerWaalsContact CG-OD1 3.25Å; R224-D226 WeakPolarHBondContact CG-OD1 3.38Å; R224-D226 IonicContact CZ-OD1 2.78Å; R224-D226 IonicContact CZ-OD2 2.73Å; R224-D226 VanDerWaalsContact CZ-OD2 3.31Å; R224-D226 IonicContact NE-OD1 3.47Å; R224-D226 PolarHBondContact NE-OD1 3.38Å; R224-D226 IonicContact NE-OD2 3.65Å; R224-D226 PolarHBondContact NE-OD2 3.37Å; R224-D226 IonicContact NH2-OD1 3.37Å; R224-D226 PolarHBondContact NH2-OD1 3.03Å; R224-D226 IonicContact NH2-OD2 2.75Å; R224-D226 PolarHBondContact NH2-OD2 3.44Å; R224-D226 PolarHBondContact O-N 3.03Å; R224-N227 HydrophobicContact CG-CB 4.22Å; R224-N227 WeakPolarHBondContact CG-ND2 3.49Å; R224-N227 PolarHBondContact O-N 2.69Å | ||
| 225 | L | 90.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -56.6 | -40.1 | -170.2 | -175 | 67.6 | 0 | 0 | 0 | 114 | F129 L132 V134 I145 M149 N227 I228 F230 | F129-L225 HydrophobicContact CB-CD1 4.37Å; F129-L225 HydrophobicContact CB-CD2 3.78Å; F129-L225 HydrophobicContact CB-CG 3.96Å; F129-L225 CarbonylContact O-C 3.58Å; F129-L225 WeakPolarHBondContact O-CG 3.37Å; L132-L225 HydrophobicContact CD2-CB 3.85Å; L132-L225 HydrophobicContact CD2-CD2 3.9Å; V134-L225 HydrophobicContact CG2-CD2 4.04Å; I145-L225 HydrophobicContact CG2-CD1 4.04Å; M149-L225 HydrophobicContact SD-CB 4.19Å; M149-L225 HydrophobicContact SD-CD1 3.93Å; L225-N227 VanDerWaalsContact C-N 3.25Å; L225-N227 PolarHBondContact O-N 2.84Å; L225-I228 PolarHBondContact O-N 3.18Å; L225-F230 HydrophobicContact CD1-CE2 3.84Å; L225-F230 HydrophobicContact CD1-CZ 4.07Å |
| 226 | D | 88.8 | Confident | 93 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 21% | 0.214 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -74.9 | -11.5 | -179.7 | 50.2 | -33.1 | 0 | 0 | 0 | 114.1 | I128 F129 R130 R224 I228 | I128-D226 WeakPolarHBondContact CG2-O 3.28Å; F129-D226 WeakPolarHBondContact O-CA 3.48Å; F129-D226 PolarHBondContact O-N 3.26Å; R130-D226 HydrophobicContact CG-CB 4.31Å; R224-D226 VanDerWaalsContact C-N 3.32Å; R224-D226 WeakPolarHBondContact CD-OD1 3.44Å; R224-D226 VanDerWaalsContact CG-OD1 3.25Å; R224-D226 WeakPolarHBondContact CG-OD1 3.38Å; R224-D226 IonicContact CZ-OD1 2.78Å; R224-D226 IonicContact CZ-OD2 2.73Å; R224-D226 VanDerWaalsContact CZ-OD2 3.31Å; R224-D226 IonicContact NE-OD1 3.47Å; R224-D226 PolarHBondContact NE-OD1 3.38Å; R224-D226 IonicContact NE-OD2 3.65Å; R224-D226 PolarHBondContact NE-OD2 3.37Å; R224-D226 IonicContact NH2-OD1 3.37Å; R224-D226 PolarHBondContact NH2-OD1 3.03Å; R224-D226 IonicContact NH2-OD2 2.75Å; R224-D226 PolarHBondContact NH2-OD2 3.44Å; R224-D226 PolarHBondContact O-N 3.03Å; D226-I228 VanDerWaalsContact C-N 3.34Å |
| 227 | N | 93.5 | Very high | 93.4 | Very high | 20 Ų | 20 | 36 Ų | 36 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -93 | 8 | 170.6 | -72.6 | -17.4 | 0 | 0 | 0 | 112.3 | D222 R224 L225 L241 | D222-N227 PolarHBondContact O-ND2 3.5Å; D222-N227 PolarHBondContact OD2-ND2 2.71Å; R224-N227 HydrophobicContact CG-CB 4.22Å; R224-N227 WeakPolarHBondContact CG-ND2 3.49Å; R224-N227 PolarHBondContact O-N 2.69Å; L225-N227 VanDerWaalsContact C-N 3.25Å; L225-N227 PolarHBondContact O-N 2.84Å; N227-L241 WeakPolarHBondContact O-CB 3.3Å; N227-L241 PolarHBondContact O-N 3.47Å |
| 228 | I | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.2 | -178 | -63.9 | 164.4 | 0 | 0 | 0 | 110.6 | M149 F223 L225 D226 F230 V237 | M149-I228 HydrophobicContact CB-CD1 4.19Å; M149-I228 HydrophobicContact CG-CD1 3.46Å; M149-I228 VanDerWaalsContact CG-CD1 3.46Å; M149-I228 HydrophobicContact SD-CD1 3.75Å; F223-I228 HydrophobicContact CE1-CD1 3.86Å; F223-I228 HydrophobicContact CZ-CD1 3.86Å; L225-I228 PolarHBondContact O-N 3.18Å; D226-I228 VanDerWaalsContact C-N 3.34Å; I228-F230 HydrophobicContact CB-CE2 3.91Å; I228-F230 HydrophobicContact CB-CZ 4.35Å; I228-F230 HydrophobicContact CG2-CD2 3.86Å; I228-F230 HydrophobicContact CG2-CE1 4.22Å; I228-F230 HydrophobicContact CG2-CE2 3.41Å; I228-F230 VanDerWaalsContact CG2-CE2 3.41Å; I228-F230 HydrophobicContact CG2-CG 4.43Å; I228-F230 HydrophobicContact CG2-CZ 3.61Å; I228-V237 HydrophobicContact CG2-CB 4.23Å; I228-V237 HydrophobicContact CG2-CG1 3.7Å; I228-V237 HydrophobicContact CG2-CG2 3.67Å |
| 229 | V | 96.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 117.6 | 170.5 | -168.7 | 0 | 0 | 0 | 0 | 108.7 | V124 I128 I238 A239 L241 | V124-V229 HydrophobicContact CG1-CG1 4.11Å; I128-V229 HydrophobicContact CD1-CG2 4.13Å; I128-V229 HydrophobicContact CG1-CG1 4.47Å; I128-V229 HydrophobicContact CG1-CG2 4.11Å; V229-I238 HydrophobicContact CB-CG1 4.19Å; V229-I238 HydrophobicContact CG1-CD1 4.03Å; V229-I238 HydrophobicContact CG1-CG1 3.91Å; V229-I238 VanDerWaalsContact O-CG1 3.26Å; V229-I238 WeakPolarHBondContact O-CG1 3.48Å; V229-I238 PolarHBondContact O-N 2.85Å; V229-A239 HydrophobicContact CB-CB 4.04Å; V229-A239 HydrophobicContact CG2-CB 4.07Å; V229-A239 PolarHBondContact N-O 3.18Å; V229-A239 PolarHBondContact O-N 3.08Å; V229-L241 HydrophobicContact CG2-CD1 3.73Å; V229-L241 HydrophobicContact CG2-CD2 4.11Å; V229-L241 HydrophobicContact CG2-CG 3.96Å |
| 230 | F | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 152.9 | 173.2 | -66.3 | -92.8 | 0 | 0 | 0 | 110.9 | G126 R127 F129 I145 A148 L225 I228 R236 V237 | G126-F230 CarbonylContact C-O 3.59Å; G126-F230 VanDerWaalsContact CA-O 3.23Å; G126-F230 WeakPolarHBondContact CA-O 3.47Å; R127-F230 HydrophobicContact CB-CB 4.32Å; R127-F230 PolarHBondContact N-O 3.2Å; R127-F230 PolarHBondContact O-N 3.31Å; F129-F230 AromaticContact CD2-CD2 3.69Å; F129-F230 HydrophobicContact CD2-CD2 3.69Å; F129-F230 AromaticContact CD2-CE2 3.97Å; F129-F230 HydrophobicContact CD2-CE2 3.97Å; F129-F230 HydrophobicContact CD2-CG 4.44Å; F129-F230 HydrophobicContact CE2-CB 4.35Å; F129-F230 AromaticContact CE2-CD2 3.85Å; F129-F230 HydrophobicContact CE2-CD2 3.85Å; F129-F230 HydrophobicContact CE2-CE2 4.44Å; F129-F230 HydrophobicContact CE2-CG 4.15Å; I145-F230 HydrophobicContact CB-CE1 4.36Å; I145-F230 HydrophobicContact CG1-CE1 4.49Å; I145-F230 HydrophobicContact CG2-CE1 3.84Å; I145-F230 HydrophobicContact CG2-CE2 4.09Å; I145-F230 HydrophobicContact CG2-CZ 3.58Å; A148-F230 HydrophobicContact CB-CE1 4.39Å; L225-F230 HydrophobicContact CD1-CE2 3.84Å; L225-F230 HydrophobicContact CD1-CZ 4.07Å; I228-F230 HydrophobicContact CB-CE2 3.91Å; I228-F230 HydrophobicContact CB-CZ 4.35Å; I228-F230 HydrophobicContact CG2-CD2 3.86Å; I228-F230 HydrophobicContact CG2-CE1 4.22Å; I228-F230 HydrophobicContact CG2-CE2 3.41Å; I228-F230 VanDerWaalsContact CG2-CE2 3.41Å; I228-F230 HydrophobicContact CG2-CG 4.43Å; I228-F230 HydrophobicContact CG2-CZ 3.61Å; F230-R236 CarbonylContact C-O 3.54Å; F230-R236 WeakPolarHBondContact CA-O 3.31Å; F230-V237 HydrophobicContact CD1-CG2 4.18Å; F230-V237 HydrophobicContact CE1-CG2 3.76Å; F230-V237 HydrophobicContact CZ-CG2 4.27Å |
| 231 | H | 95.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 39 Ų | 39 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -54.5 | 142.8 | 173.6 | -172.3 | -103 | 0 | 0 | 0 | 111.4 | R127 K233 E234 R236 I238 | R127-H231 PolarHBondContact NE-O 3.03Å; R127-H231 PolarHBondContact NH2-O 2.86Å; H231-K233 PolarHBondContact ND1-N 2.82Å; H231-K233 PolarHBondContact O-N 3.25Å; H231-E234 HydrophobicContact CB-CB 3.95Å; H231-E234 IonicContact CE1-OE1 2.84Å; H231-E234 WeakPolarHBondContact ND1-CB 3.36Å; H231-E234 WeakPolarHBondContact ND1-CG 3.23Å; H231-E234 PolarHBondContact ND1-N 2.85Å; H231-E234 VanDerWaalsContact ND1-N 3.18Å; H231-E234 IonicContact ND1-OE2 3.69Å; H231-R236 PolarHBondContact N-O 3.45Å; H231-I238 HydrophobicContact CB-CG2 3.91Å |
| 232 | P | 91.7 | Very high | 93.7 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 41% | 0.409 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -53.4 | -29.9 | -179.2 | -29.9 | 35 | 0 | 0 | 0 | 115.4 | R127 | R127-P232 WeakPolarHBondContact CD-O 3.45Å; R127-P232 PolarHBondContact NE-O 2.93Å |
| 233 | K | 88.3 | Confident | 93.8 | Very high | 185 Ų | 185 | 38.9 Ų | 38.9 | 80% | 0.804 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -126.5 | -12.5 | -174.4 | -61.9 | -177.6 | -179.2 | 178.5 | 0 | 115.1 | H231 | H231-K233 PolarHBondContact ND1-N 2.82Å; H231-K233 PolarHBondContact O-N 3.25Å |
| 234 | E | 91.9 | Very high | 93.5 | Very high | 97 Ų | 97 | 40.6 Ų | 40.6 | 45% | 0.453 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -120 | 153.8 | -173.5 | -62.8 | 169.9 | -173.6 | 0 | 0 | 110.2 | R127 H231 R236 | R127-E234 PolarHBondContact NH2-O 3Å; H231-E234 HydrophobicContact CB-CB 3.95Å; H231-E234 IonicContact CE1-OE1 2.84Å; H231-E234 WeakPolarHBondContact ND1-CB 3.36Å; H231-E234 WeakPolarHBondContact ND1-CG 3.23Å; H231-E234 PolarHBondContact ND1-N 2.85Å; H231-E234 VanDerWaalsContact ND1-N 3.18Å; H231-E234 IonicContact ND1-OE2 3.69Å; E234-R236 HydrophobicContact CB-CB 4.4Å; E234-R236 PolarHBondContact O-N 3.46Å; E234-R236 IonicContact OE2-NE 3.66Å; E234-R236 PolarHBondContact OE2-NE 2.9Å; E234-R236 IonicContact OE2-NH2 3.89Å |
| 235 | C | 92.2 | Very high | 93.5 | Very high | 42 Ų | 42 | 41.6 Ų | 41.6 | 28% | 0.284 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -83.9 | 59.5 | 173.1 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | E141 A144 I145 A148 | E141-C235 WeakPolarHBondContact CG-SG 3.34Å; A144-C235 HydrophobicContact CB-CB 3.66Å; I145-C235 HydrophobicContact CG1-CB 4.43Å; A148-C235 WeakPolarHBondContact CB-O 3.33Å |
| 236 | R | 95.5 | Very high | 93.6 | Very high | 123 Ų | 123 | 41.5 Ų | 41.5 | 46% | 0.464 | 20% | 0.204 | S | C | . | . | trans | -129.8 | 134.7 | -178.7 | 173.4 | 170.2 | 67.5 | 91.6 | -3.9 | 109.6 | F230 H231 E234 | F230-R236 CarbonylContact C-O 3.54Å; F230-R236 WeakPolarHBondContact CA-O 3.31Å; H231-R236 PolarHBondContact N-O 3.45Å; E234-R236 HydrophobicContact CB-CB 4.4Å; E234-R236 PolarHBondContact O-N 3.46Å; E234-R236 IonicContact OE2-NE 3.66Å; E234-R236 PolarHBondContact OE2-NE 2.9Å; E234-R236 IonicContact OE2-NH2 3.89Å | ||
| 237 | V | 97.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.8 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | P100 A148 T152 I228 F230 V240 | P100-V237 HydrophobicContact CB-CG1 4.39Å; P100-V237 HydrophobicContact CG-CG1 4.18Å; A148-V237 HydrophobicContact CB-CG2 4.37Å; T152-V237 HydrophobicContact CG2-CB 4.4Å; T152-V237 HydrophobicContact CG2-CG1 4.08Å; T152-V237 WeakPolarHBondContact OG1-CB 3.36Å; T152-V237 WeakPolarHBondContact OG1-CG2 3.05Å; I228-V237 HydrophobicContact CG2-CB 4.23Å; I228-V237 HydrophobicContact CG2-CG1 3.7Å; I228-V237 HydrophobicContact CG2-CG2 3.67Å; F230-V237 HydrophobicContact CD1-CG2 4.18Å; F230-V237 HydrophobicContact CE1-CG2 3.76Å; F230-V237 HydrophobicContact CZ-CG2 4.27Å; V237-V240 HydrophobicContact CG1-CG2 4.08Å |
| 238 | I | 97.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 18% | 0.179 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | -19.4 | 177.8 | 60.9 | 168.5 | 0 | 0 | 0 | 112.9 | V124 V229 H231 | V124-I238 HydrophobicContact CG1-CD1 3.58Å; V124-I238 HydrophobicContact CG1-CG1 3.87Å; V229-I238 HydrophobicContact CB-CG1 4.19Å; V229-I238 HydrophobicContact CG1-CD1 4.03Å; V229-I238 HydrophobicContact CG1-CG1 3.91Å; V229-I238 VanDerWaalsContact O-CG1 3.26Å; V229-I238 WeakPolarHBondContact O-CG1 3.48Å; V229-I238 PolarHBondContact O-N 2.85Å; H231-I238 HydrophobicContact CB-CG2 3.91Å |
| 239 | A | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 140.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P100 P102 V124 V229 L241 | P100-A239 CarbonylContact O-C 3.58Å; P100-A239 WeakPolarHBondContact O-CA 3.47Å; P102-A239 HydrophobicContact CG-CB 4.07Å; V124-A239 HydrophobicContact CB-CB 4.21Å; V124-A239 HydrophobicContact CG1-CB 4.01Å; V124-A239 HydrophobicContact CG2-CB 4.1Å; V229-A239 HydrophobicContact CB-CB 4.04Å; V229-A239 HydrophobicContact CG2-CB 4.07Å; V229-A239 PolarHBondContact N-O 3.18Å; V229-A239 PolarHBondContact O-N 3.08Å; A239-L241 HydrophobicContact CB-CD2 4.27Å |
| 240 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.4 | 165.7 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | F99 P100 T152 F223 V237 W243 | F99-V240 HydrophobicContact CE1-CB 4.34Å; F99-V240 HydrophobicContact CE1-CG2 4.09Å; F99-V240 HydrophobicContact CZ-CG2 4.24Å; P100-V240 PolarHBondContact O-N 3.27Å; T152-V240 HydrophobicContact CG2-CG2 3.82Å; F223-V240 HydrophobicContact CD2-CG1 4.23Å; F223-V240 HydrophobicContact CE2-CG1 3.97Å; F223-V240 HydrophobicContact CE2-CG2 4.17Å; V237-V240 HydrophobicContact CG1-CG2 4.08Å; V240-W243 HydrophobicContact CB-CZ2 3.99Å; V240-W243 HydrophobicContact CG1-CZ2 3.83Å; V240-W243 PolarHBondContact O-NE1 2.94Å |
| 241 | L | 93.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | trans | -107.4 | 164.8 | -173.6 | -50.6 | -179.3 | 0 | 0 | 0 | 111.2 | P102 I128 H220 N227 V229 A239 | P102-L241 HydrophobicContact CG-CD2 3.44Å; P102-L241 VanDerWaalsContact CG-CD2 3.44Å; I128-L241 HydrophobicContact CD1-CD1 4.49Å; H220-L241 PolarHBondContact CE1-O 2.99Å; H220-L241 VanDerWaalsContact CE1-O 3.24Å; H220-L241 PolarHBondContact NE2-O 3.39Å; N227-L241 WeakPolarHBondContact O-CB 3.3Å; N227-L241 PolarHBondContact O-N 3.47Å; V229-L241 HydrophobicContact CG2-CD1 3.73Å; V229-L241 HydrophobicContact CG2-CD2 4.11Å; V229-L241 HydrophobicContact CG2-CG 3.96Å; A239-L241 HydrophobicContact CB-CD2 4.27Å | ||
| 242 | D | 90.8 | Very high | 93.4 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | trans | 68.2 | 61.4 | 170.8 | -150 | 10.3 | 0 | 0 | 0 | 117.6 | R70 H220 E244 | R70-D242 IonicContact CZ-OD1 2.73Å; R70-D242 IonicContact NH1-OD1 3.39Å; R70-D242 PolarHBondContact NH1-OD1 3.38Å; R70-D242 VanDerWaalsContact NH1-OD1 3.15Å; R70-D242 IonicContact NH2-OD1 3.89Å; R70-D242 PolarHBondContact NH2-OD1 3.29Å; R70-D242 IonicContact NH2-OD2 3.8Å; H220-D242 PolarHBondContact CE1-O 3.22Å; H220-D242 PolarHBondContact NE2-O 3.03Å; D242-E244 PolarHBondContact O-N 3.37Å | ||
| 243 | W | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -80.5 | 10.8 | -178.5 | -67.7 | 86.8 | 0 | 0 | 0 | 115 | E87 V90 Q91 L94 F99 V101 L156 H220 V240 L245 S246 | E87-W243 HydrophobicContact CG-CB 3.87Å; V90-W243 HydrophobicContact CG1-CB 3.82Å; V90-W243 HydrophobicContact CG1-CD2 4.5Å; V90-W243 HydrophobicContact CG1-CE3 4.38Å; V90-W243 HydrophobicContact CG1-CG 4.28Å; V90-W243 HydrophobicContact CG2-CE3 4.22Å; Q91-W243 HydrophobicContact CG-CB 4.4Å; Q91-W243 HydrophobicContact CG-CG 3.95Å; L94-W243 HydrophobicContact CD1-CD2 3.92Å; L94-W243 HydrophobicContact CD1-CE3 3.73Å; L94-W243 HydrophobicContact CD1-CH2 3.24Å; L94-W243 HydrophobicContact CD1-CZ2 3.42Å; L94-W243 VanDerWaalsContact CD1-CZ2 3.42Å; L94-W243 HydrophobicContact CD1-CZ3 3.4Å; L94-W243 VanDerWaalsContact CD1-CZ3 3.4Å; F99-W243 HydrophobicContact CD1-CH2 4.49Å; F99-W243 HydrophobicContact CD1-CZ2 4.34Å; F99-W243 AromaticContact CE1-CH2 3.89Å; F99-W243 HydrophobicContact CE1-CH2 3.89Å; F99-W243 AromaticContact CE1-CZ2 3.75Å; F99-W243 HydrophobicContact CE1-CZ2 3.75Å; V101-W243 HydrophobicContact CG1-CZ2 3.63Å; L156-W243 HydrophobicContact CD1-CH2 3.69Å; L156-W243 HydrophobicContact CD1-CZ3 4.03Å; L156-W243 HydrophobicContact CD2-CH2 3.83Å; L156-W243 HydrophobicContact CD2-CZ3 4.12Å; L156-W243 HydrophobicContact CG-CH2 4.41Å; H220-W243 AromaticContact CD2-CD2 3.84Å; H220-W243 AromaticContact CD2-CE2 3.83Å; H220-W243 AromaticContact CD2-CE3 3.8Å; H220-W243 AromaticContact CD2-CH2 3.74Å; H220-W243 AromaticContact CD2-CZ2 3.79Å; H220-W243 AromaticContact CD2-CZ3 3.75Å; V240-W243 HydrophobicContact CB-CZ2 3.99Å; V240-W243 HydrophobicContact CG1-CZ2 3.83Å; V240-W243 PolarHBondContact O-NE1 2.94Å; W243-L245 VanDerWaalsContact C-N 3.32Å; W243-L245 PolarHBondContact O-N 3.37Å; W243-S246 WeakPolarHBondContact O-CB 3.41Å; W243-S246 PolarHBondContact O-N 3.39Å; W243-S246 PolarHBondContact O-OG 3.26Å |
| 244 | E | 89.1 | Confident | 93.8 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 17% | 0.173 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -60.8 | -39.5 | -173.8 | -179 | 176.2 | -171.5 | 0 | 0 | 112.8 | S54 H82 D242 S246 | S54-E244 WeakPolarHBondContact CB-OE2 3.46Å; S54-E244 VanDerWaalsContact OG-CD 3.23Å; S54-E244 PolarHBondContact OG-OE1 2.91Å; S54-E244 PolarHBondContact OG-OE2 2.9Å; H82-E244 IonicContact CE1-OE1 3.3Å; H82-E244 IonicContact ND1-OE1 3.69Å; H82-E244 PolarHBondContact ND1-OE1 3.34Å; D242-E244 PolarHBondContact O-N 3.37Å; E244-S246 VanDerWaalsContact C-N 3.31Å |
| 245 | L | 89.9 | Confident | 94 | Very high | 92 Ų | 92 | 23 Ų | 23 | 48% | 0.482 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -88.4 | 1.2 | -177.8 | -60.2 | -170.1 | 0 | 0 | 0 | 113.6 | H220 D222 W243 | H220-L245 CarbonylContact O-C 3.47Å; D222-L245 HydrophobicContact CB-CD1 4.22Å; W243-L245 VanDerWaalsContact C-N 3.32Å; W243-L245 PolarHBondContact O-N 3.37Å |
| 246 | S | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -68.5 | 146 | -175.8 | 66.3 | 0 | 0 | 0 | 0 | 112 | R86 Y169 I219 H220 W243 E244 | R86-S246 PolarHBondContact NH2-O 3.02Å; Y169-S246 PolarHBondContact OH-OG 2.96Å; I219-S246 WeakPolarHBondContact O-CA 3.26Å; I219-S246 WeakPolarHBondContact O-CB 3.39Å; H220-S246 VanDerWaalsContact O-CA 3.24Å; H220-S246 WeakPolarHBondContact O-CA 3.5Å; H220-S246 PolarHBondContact O-N 3.1Å; H220-S246 VanDerWaalsContact O-N 3.14Å; W243-S246 WeakPolarHBondContact O-CB 3.41Å; W243-S246 PolarHBondContact O-N 3.39Å; W243-S246 PolarHBondContact O-OG 3.26Å; E244-S246 VanDerWaalsContact C-N 3.31Å | ||
| 247 | T | 93.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 16.1 Ų | 16.1 | 16% | 0.16 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 173.8 | -176.1 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | Y175 I219 | Y175-T247 HydrophobicContact CE2-CG2 3.94Å; I219-T247 HydrophobicContact CD1-CG2 3.78Å; I219-T247 HydrophobicContact CG1-CG2 3.77Å; I219-T247 VanDerWaalsContact CG1-O 3.22Å; I219-T247 WeakPolarHBondContact CG1-O 3.37Å; I219-T247 PolarHBondContact N-O 3.41Å; I219-T247 PolarHBondContact O-N 2.85Å |
| 248 | I | 93.7 | Very high | 93.6 | Very high | 7 Ų | 7 | 16.1 Ų | 16.1 | 4% | 0.036 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.5 | 162 | -52.2 | -48.5 | 0 | 0 | 0 | 108.3 | I161 Y169 E216 N217 L218 | I161-I248 HydrophobicContact CD1-CD1 3.89Å; I161-I248 HydrophobicContact CD1-CG2 3.8Å; I161-I248 HydrophobicContact CG1-CD1 4.16Å; I161-I248 HydrophobicContact CG2-CD1 3.91Å; Y169-I248 HydrophobicContact CD1-CD1 4.33Å; Y169-I248 HydrophobicContact CD1-CG1 4.47Å; E216-I248 HydrophobicContact CB-CG2 3.84Å; N217-I248 CarbonylContact O-C 3.58Å; N217-I248 WeakPolarHBondContact O-CA 3.44Å; L218-I248 HydrophobicContact CB-CD1 4.34Å; L218-I248 HydrophobicContact CD1-CD1 4.16Å |
| 249 | G | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | -168.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y175 N217 | Y175-G249 VanDerWaalsContact CD2-CA 3.42Å; N217-G249 PolarHBondContact N-O 2.88Å; N217-G249 PolarHBondContact O-N 2.78Å; N217-G249 VanDerWaalsContact O-O 3.11Å |
| 250 | H | 93.4 | Very high | 92.8 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | trans | -84.9 | 123.4 | -175.6 | -166.6 | -66.6 | 0 | 0 | 0 | 111.1 | Y175 E215 L252 S253 F309 | Y175-H250 HydrophobicContact CD1-CB 3.85Å; Y175-H250 HydrophobicContact CE1-CB 4.48Å; E215-H250 IonicContact OE2-CE1 2.69Å; E215-H250 IonicContact OE2-NE2 3.61Å; H250-L252 VanDerWaalsContact C-N 3.28Å; H250-L252 PolarHBondContact ND1-N 2.89Å; H250-L252 PolarHBondContact O-N 2.82Å; H250-L252 VanDerWaalsContact O-N 3.16Å; H250-S253 WeakPolarHBondContact O-CB 3.36Å; H250-S253 PolarHBondContact O-N 3.1Å; H250-S253 PolarHBondContact O-OG 3.44Å; H250-F309 HydrophobicContact CB-CE1 4.03Å; H250-F309 HydrophobicContact CB-CZ 4.4Å; H250-F309 AromaticContact CD2-CZ 3.75Å; H250-F309 AromaticContact CE1-CE1 3.92Å; H250-F309 AromaticContact CE1-CE2 3.78Å; H250-F309 AromaticContact CE1-CZ 3.24Å; H250-F309 WeakPolarHBondContact CE1-CZ 3.49Å; H250-F309 AromaticContact CG-CE1 3.62Å; H250-F309 AromaticContact CG-CZ 3.54Å; H250-F309 AromaticContact ND1-CE1 3.37Å; H250-F309 WeakPolarHBondContact ND1-CE1 3.27Å; H250-F309 AromaticContact ND1-CZ 3.19Å; H250-F309 WeakPolarHBondContact ND1-CZ 3.44Å; H250-F309 AromaticContact NE2-CZ 3.54Å | ||
| 251 | P | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.4 | -168.7 | 25.7 | -35.6 | 0 | 0 | 0 | 114.4 | H157 E215 N217 S253 D254 L255 | H157-P251 HydrophobicContact CB-CB 3.93Å; H157-P251 PolarHBondContact CE1-O 2.87Å; H157-P251 WeakPolarHBondContact ND1-CB 3.44Å; E215-P251 HydrophobicContact CG-CG 4.4Å; E215-P251 VanDerWaalsContact OE1-CG 3.29Å; E215-P251 WeakPolarHBondContact OE1-CG 3.46Å; N217-P251 HydrophobicContact CB-CB 4.1Å; N217-P251 HydrophobicContact CB-CG 4.27Å; N217-P251 VanDerWaalsContact OD1-CD 3.31Å; N217-P251 WeakPolarHBondContact OD1-CD 3.27Å; N217-P251 WeakPolarHBondContact OD1-CG 3.26Å; P251-S253 PolarHBondContact O-N 3.44Å; P251-D254 PolarHBondContact O-N 3.43Å; P251-L255 PolarHBondContact O-N 2.91Å |
| 252 | L | 93.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 17 Ų | 17 | 6% | 0.058 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.2 | -16.4 | 175.6 | -62.6 | -172.7 | 0 | 0 | 0 | 114.1 | H250 L255 A256 Y293 L303 F309 | H250-L252 VanDerWaalsContact C-N 3.28Å; H250-L252 PolarHBondContact ND1-N 2.89Å; H250-L252 PolarHBondContact O-N 2.82Å; H250-L252 VanDerWaalsContact O-N 3.16Å; L252-L255 HydrophobicContact CD2-CD2 4.01Å; L252-A256 VanDerWaalsContact O-CB 3.23Å; L252-A256 WeakPolarHBondContact O-CB 3.4Å; L252-A256 PolarHBondContact O-N 2.92Å; L252-Y293 HydrophobicContact CD2-CE1 4.28Å; L252-L303 HydrophobicContact CD1-CB 4.23Å; L252-L303 HydrophobicContact CD1-CD2 4.44Å; L252-L303 HydrophobicContact CD2-CD1 3.76Å; L252-L303 HydrophobicContact CD2-CD2 4.03Å; L252-L303 HydrophobicContact CD2-CG 4.4Å; L252-F309 HydrophobicContact CB-CB 4.34Å; L252-F309 HydrophobicContact CB-CD1 3.82Å; L252-F309 HydrophobicContact CB-CD2 3.62Å; L252-F309 HydrophobicContact CB-CE1 4Å; L252-F309 HydrophobicContact CB-CE2 3.82Å; L252-F309 HydrophobicContact CB-CG 3.64Å; L252-F309 HydrophobicContact CB-CZ 4.02Å; L252-F309 HydrophobicContact CD1-CD2 3.81Å; L252-F309 HydrophobicContact CD1-CE2 3.7Å; L252-F309 HydrophobicContact CD1-CZ 4.45Å; L252-F309 HydrophobicContact CG-CD2 4.37Å; L252-F309 HydrophobicContact CG-CE2 4.33Å |
| 253 | S | 93.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 17.3 Ų | 17.3 | 8% | 0.077 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 174 | 66 | 0 | 0 | 0 | 0 | 111.9 | H250 P251 H257 | H250-S253 WeakPolarHBondContact O-CB 3.36Å; H250-S253 PolarHBondContact O-N 3.1Å; H250-S253 PolarHBondContact O-OG 3.44Å; P251-S253 PolarHBondContact O-N 3.44Å; S253-H257 WeakPolarHBondContact O-CB 3.44Å; S253-H257 PolarHBondContact O-N 2.86Å |
| 254 | D | 95.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.011 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -72.6 | -39.8 | 179.6 | -79.3 | 0.6 | 0 | 0 | 0 | 111.1 | L153 H157 I219 H220 G221 F223 P251 A256 H257 L258 | L153-D254 HydrophobicContact CD1-CB 3.94Å; L153-D254 HydrophobicContact CD2-CB 4.41Å; H157-D254 IonicContact NE2-OD2 3.4Å; H157-D254 PolarHBondContact NE2-OD2 3.33Å; I219-D254 WeakPolarHBondContact CA-OD2 3.41Å; I219-D254 WeakPolarHBondContact CB-OD2 3.41Å; H220-D254 WeakPolarHBondContact CA-OD2 3.3Å; H220-D254 WeakPolarHBondContact CB-OD2 3.43Å; H220-D254 PolarHBondContact N-OD2 3.5Å; G221-D254 WeakPolarHBondContact CA-OD1 3.49Å; G221-D254 PolarHBondContact N-OD1 3.43Å; G221-D254 PolarHBondContact N-OD2 3.23Å; F223-D254 HydrophobicContact CB-CB 4.49Å; P251-D254 PolarHBondContact O-N 3.43Å; D254-A256 VanDerWaalsContact C-N 3.32Å; D254-A256 PolarHBondContact O-N 2.76Å; D254-H257 PolarHBondContact O-N 3.23Å; D254-L258 WeakPolarHBondContact O-CB 3.44Å; D254-L258 PolarHBondContact O-N 3.32Å |
| 255 | L | 94.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.8 | -174.2 | 64.9 | 0 | 0 | 0 | 111.7 | L153 P251 L252 S259 I290 Y293 L303 W306 | L153-L255 HydrophobicContact CD2-CB 4.4Å; L153-L255 HydrophobicContact CD2-CD1 4.21Å; P251-L255 PolarHBondContact O-N 2.91Å; L252-L255 HydrophobicContact CD2-CD2 4.01Å; L255-S259 WeakPolarHBondContact O-CB 3.35Å; L255-S259 PolarHBondContact O-N 3.27Å; L255-S259 VanDerWaalsContact O-N 3.16Å; L255-S259 PolarHBondContact O-OG 3.45Å; L255-I290 HydrophobicContact CD2-CG1 4.41Å; L255-Y293 HydrophobicContact CD1-CD2 4Å; L255-Y293 HydrophobicContact CD1-CG 3.98Å; L255-Y293 HydrophobicContact CD2-CD1 3.58Å; L255-Y293 HydrophobicContact CD2-CD2 4.42Å; L255-Y293 HydrophobicContact CD2-CE1 3.83Å; L255-Y293 HydrophobicContact CD2-CG 3.88Å; L255-L303 HydrophobicContact CD2-CD1 3.81Å; L255-W306 HydrophobicContact CB-CH2 4.33Å; L255-W306 HydrophobicContact CB-CZ3 4.18Å; L255-W306 HydrophobicContact CD2-CH2 4.13Å; L255-W306 HydrophobicContact CD2-CZ3 3.89Å; L255-W306 HydrophobicContact CG-CH2 3.81Å; L255-W306 HydrophobicContact CG-CZ3 3.93Å |
| 256 | A | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.9 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L252 D254 S259 L260 W306 F309 L310 | L252-A256 VanDerWaalsContact O-CB 3.23Å; L252-A256 WeakPolarHBondContact O-CB 3.4Å; L252-A256 PolarHBondContact O-N 2.92Å; D254-A256 VanDerWaalsContact C-N 3.32Å; D254-A256 PolarHBondContact O-N 2.76Å; A256-S259 PolarHBondContact O-N 3.16Å; A256-S259 VanDerWaalsContact O-N 3.15Å; A256-L260 PolarHBondContact O-N 2.85Å; A256-W306 HydrophobicContact CB-CH2 3.97Å; A256-W306 HydrophobicContact CB-CZ3 3.95Å; A256-F309 HydrophobicContact CB-CB 3.67Å; A256-F309 WeakPolarHBondContact CB-O 3.35Å; A256-L310 HydrophobicContact CB-CD2 4.19Å |
| 257 | H | 92.4 | Very high | 88.8 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.6 | -172.6 | 72.6 | 0 | 0 | 0 | 111.7 | D222 S253 D254 S259 L260 S313 | D222-H257 IonicContact OD1-CD2 3.32Å; D222-H257 IonicContact OD1-CE1 3.48Å; D222-H257 IonicContact OD1-NE2 3.96Å; D222-H257 PolarHBondContact OD1-NE2 3.06Å; S253-H257 WeakPolarHBondContact O-CB 3.44Å; S253-H257 PolarHBondContact O-N 2.86Å; D254-H257 PolarHBondContact O-N 3.23Å; H257-S259 PolarHBondContact O-N 3.26Å; H257-L260 WeakPolarHBondContact O-CB 3.4Å; H257-L260 VanDerWaalsContact O-CG 3.26Å; H257-L260 WeakPolarHBondContact O-CG 3.2Å; H257-L260 PolarHBondContact O-N 3.43Å; H257-S313 PolarHBondContact N-OG 3.23Å |
| 258 | L | 91.8 | Very high | 87.9 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60 | -30.2 | 175.8 | -173.7 | 61 | 0 | 0 | 0 | 112.6 | M149 V150 L153 F223 D254 F261 | M149-L258 HydrophobicContact CE-CD1 3.58Å; M149-L258 HydrophobicContact CE-CD2 4.22Å; M149-L258 HydrophobicContact CE-CG 4.18Å; M149-L258 HydrophobicContact CG-CD1 4.27Å; M149-L258 HydrophobicContact CG-CD2 4.33Å; M149-L258 HydrophobicContact SD-CD1 3.7Å; V150-L258 HydrophobicContact CG2-CD2 3.81Å; L153-L258 HydrophobicContact CD2-CD2 3.84Å; F223-L258 HydrophobicContact CD1-CD1 4.08Å; F223-L258 HydrophobicContact CD1-CD2 4.19Å; F223-L258 HydrophobicContact CE1-CD2 4.31Å; D254-L258 WeakPolarHBondContact O-CB 3.44Å; D254-L258 PolarHBondContact O-N 3.32Å; L258-F261 WeakPolarHBondContact O-CD1 3.26Å; L258-F261 VanDerWaalsContact O-CE1 3.23Å; L258-F261 WeakPolarHBondContact O-CE1 3.37Å |
| 259 | S | 89.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3.6 | -176.2 | -56.1 | 0 | 0 | 0 | 0 | 113.9 | L255 A256 H257 F261 Y262 | L255-S259 WeakPolarHBondContact O-CB 3.35Å; L255-S259 PolarHBondContact O-N 3.27Å; L255-S259 VanDerWaalsContact O-N 3.16Å; L255-S259 PolarHBondContact O-OG 3.45Å; A256-S259 PolarHBondContact O-N 3.16Å; A256-S259 VanDerWaalsContact O-N 3.15Å; H257-S259 PolarHBondContact O-N 3.26Å; S259-F261 PolarHBondContact O-N 3.15Å; S259-F261 VanDerWaalsContact O-N 3.1Å; S259-Y262 WeakPolarHBondContact O-CD2 3.14Å; S259-Y262 PolarHBondContact O-N 3.31Å; S259-Y262 VanDerWaalsContact O-N 3.16Å |
| 260 | L | 87.9 | Confident | 85 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -56.2 | -32.1 | -175.2 | -75.1 | 177.1 | 0 | 0 | 0 | 113.4 | A256 H257 Y262 F263 W264 F314 M317 | A256-L260 PolarHBondContact O-N 2.85Å; H257-L260 WeakPolarHBondContact O-CB 3.4Å; H257-L260 VanDerWaalsContact O-CG 3.26Å; H257-L260 WeakPolarHBondContact O-CG 3.2Å; H257-L260 PolarHBondContact O-N 3.43Å; L260-Y262 PolarHBondContact O-N 3.36Å; L260-F263 CarbonylContact O-C 3.34Å; L260-F263 PolarHBondContact O-N 3.01Å; L260-F263 VanDerWaalsContact O-N 3.07Å; L260-W264 PolarHBondContact O-N 3.31Å; L260-F314 HydrophobicContact CD2-CD1 4.48Å; L260-F314 HydrophobicContact CD2-CD2 3.38Å; L260-F314 HydrophobicContact CD2-CE1 4.37Å; L260-F314 HydrophobicContact CD2-CE2 3.26Å; L260-F314 HydrophobicContact CD2-CG 4.02Å; L260-F314 HydrophobicContact CD2-CZ 3.79Å; L260-M317 HydrophobicContact CD1-CG 3.79Å |
| 261 | F | 84.4 | Confident | 83 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 9% | 0.092 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -64.7 | -25.6 | -176.9 | 73.9 | -92.9 | 0 | 0 | 0 | 113.7 | L132 Y146 L258 S259 F263 M270 I277 I283 | L132-F261 HydrophobicContact CD1-CB 3.42Å; L132-F261 VanDerWaalsContact CD1-CB 3.42Å; L132-F261 HydrophobicContact CD1-CG 4Å; Y146-F261 HydrophobicContact CD1-CZ 4.29Å; Y146-F261 AromaticContact CE1-CE1 3.83Å; Y146-F261 HydrophobicContact CE1-CE1 3.83Å; Y146-F261 HydrophobicContact CE1-CE2 4.29Å; Y146-F261 AromaticContact CE1-CZ 3.49Å; Y146-F261 HydrophobicContact CE1-CZ 3.49Å; Y146-F261 VanDerWaalsContact CE1-CZ 3.49Å; L258-F261 WeakPolarHBondContact O-CD1 3.26Å; L258-F261 VanDerWaalsContact O-CE1 3.23Å; L258-F261 WeakPolarHBondContact O-CE1 3.37Å; S259-F261 PolarHBondContact O-N 3.15Å; S259-F261 VanDerWaalsContact O-N 3.1Å; F261-F263 PolarHBondContact O-N 3.1Å; F261-M270 HydrophobicContact CB-CE 4.21Å; F261-I277 HydrophobicContact CD2-CD1 3.72Å; F261-I277 HydrophobicContact CE2-CD1 3.98Å; F261-I283 HydrophobicContact CE2-CG2 4.09Å; F261-I283 HydrophobicContact CZ-CG2 4.22Å |
| 262 | Y | 84 | Confident | 80.7 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -67.4 | -24.5 | 175.1 | -69 | -74.1 | 0 | 0 | 0 | 113 | S259 L260 P284 M286 L289 | S259-Y262 WeakPolarHBondContact O-CD2 3.14Å; S259-Y262 PolarHBondContact O-N 3.31Å; S259-Y262 VanDerWaalsContact O-N 3.16Å; L260-Y262 PolarHBondContact O-N 3.36Å; Y262-P284 PolarHBondContact OH-O 3.11Å; Y262-M286 HydrophobicContact CD1-CB 4.38Å; Y262-M286 HydrophobicContact CD2-CB 3.78Å; Y262-M286 HydrophobicContact CD2-CG 3.95Å; Y262-M286 HydrophobicContact CD2-SD 4.31Å; Y262-M286 HydrophobicContact CE1-CB 4.34Å; Y262-M286 HydrophobicContact CE2-CB 3.74Å; Y262-M286 HydrophobicContact CE2-CG 4.04Å; Y262-M286 HydrophobicContact CG-CB 4.11Å; Y262-L289 HydrophobicContact CE2-CD1 4.16Å; Y262-L289 WeakPolarHBondContact OH-CD1 3.32Å |
| 263 | F | 85.8 | Confident | 78.5 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 17% | 0.171 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -118.6 | 14.2 | -174.6 | -54.6 | -59.7 | 0 | 0 | 0 | 112.9 | L260 F261 M286 L310 F314 T351 L355 | L260-F263 CarbonylContact O-C 3.34Å; L260-F263 PolarHBondContact O-N 3.01Å; L260-F263 VanDerWaalsContact O-N 3.07Å; F261-F263 PolarHBondContact O-N 3.1Å; F263-M286 HydrophobicContact CE2-CE 3.85Å; F263-M286 HydrophobicContact CE2-SD 3.38Å; F263-M286 WeakPolarHBondContact CE2-SD 3.49Å; F263-M286 HydrophobicContact CZ-CE 3.51Å; F263-M286 HydrophobicContact CZ-SD 3.63Å; F263-L310 HydrophobicContact CD2-CD1 4.34Å; F263-L310 HydrophobicContact CD2-CD2 4.27Å; F263-L310 HydrophobicContact CE2-CD1 3.85Å; F263-L310 HydrophobicContact CE2-CD2 4.2Å; F263-F314 HydrophobicContact CB-CE2 3.98Å; F263-F314 HydrophobicContact CB-CZ 3.9Å; F263-F314 WeakPolarHBondContact O-CZ 3.44Å; F263-T351 WeakPolarHBondContact O-CG2 3.34Å; F263-L355 HydrophobicContact CB-CD1 4.02Å; F263-L355 HydrophobicContact CB-CD2 4.48Å; F263-L355 HydrophobicContact CD1-CD2 4.05Å; F263-L355 HydrophobicContact CD2-CD1 4.23Å; F263-L355 HydrophobicContact CD2-CD2 4.23Å; F263-L355 HydrophobicContact CE1-CD2 4.41Å; F263-L355 HydrophobicContact CG-CD1 4.16Å; F263-L355 HydrophobicContact CG-CD2 3.97Å |
| 264 | W | 84.6 | Confident | 76.1 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 16% | 0.163 | 27% | 0.274 | C | S | . | . | trans | -59.2 | 131.8 | -175.8 | -163.4 | -97 | 0 | 0 | 0 | 111 | L260 R266 V268 M270 M317 L348 | L260-W264 PolarHBondContact O-N 3.31Å; W264-R266 PolarHBondContact O-N 3.07Å; W264-V268 HydrophobicContact CZ2-CG1 3.83Å; W264-V268 PolarHBondContact NE1-O 3.41Å; W264-M270 HydrophobicContact CB-CG 4.29Å; W264-M270 HydrophobicContact CB-SD 4.47Å; W264-M270 VanDerWaalsContact CD1-CG 3.41Å; W264-M270 HydrophobicContact CD2-CG 4.48Å; W264-M270 HydrophobicContact CG-CE 4.47Å; W264-M270 HydrophobicContact CG-CG 3.8Å; W264-M270 HydrophobicContact CG-SD 4.47Å; W264-M317 HydrophobicContact CH2-CE 4.34Å; W264-L348 HydrophobicContact CE3-CD2 4.46Å; W264-L348 HydrophobicContact CH2-CD2 3.96Å; W264-L348 HydrophobicContact CZ2-CD2 4.31Å; W264-L348 HydrophobicContact CZ3-CD2 4.03Å | ||
| 265 | P | 81.3 | Confident | 73.7 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 7% | 0.071 | 31% | 0.305 | C | S | . | . | trans | -62.4 | 131.2 | -175 | -13.2 | 23.1 | 0 | 0 | 0 | 110.5 | T267 V268 F314 P347 L348 T351 | P265-T267 PolarHBondContact O-N 3.24Å; P265-T267 VanDerWaalsContact O-N 3.11Å; P265-V268 HydrophobicContact CB-CB 4.38Å; P265-V268 HydrophobicContact CB-CG2 4.07Å; P265-V268 HydrophobicContact CG-CG2 4.19Å; P265-V268 PolarHBondContact O-N 3.17Å; P265-F314 HydrophobicContact CG-CE1 4.45Å; P265-P347 HydrophobicContact CB-CB 4.03Å; P265-P347 HydrophobicContact CG-CB 4.27Å; P265-L348 HydrophobicContact CG-CD2 3.89Å; P265-T351 WeakPolarHBondContact CG-OG1 3.45Å | ||
| 266 | R | 71.7 | Confident | 71.7 | Confident | 236 Ų | 236 | 69.1 Ų | 69.1 | 89% | 0.891 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.1 | -178.1 | -65.6 | -177.6 | 179.6 | -176.9 | -0.2 | 113.9 | W264 V268 | W264-R266 PolarHBondContact O-N 3.07Å; R266-V268 VanDerWaalsContact C-N 3.34Å |
| 267 | T | 72.3 | Confident | 69.9 | Low | 112 Ų | 112 | 72.4 Ų | 72.4 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12.9 | 179.7 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | P265 | P265-T267 PolarHBondContact O-N 3.24Å; P265-T267 VanDerWaalsContact O-N 3.11Å |
| 268 | V | 74.5 | Confident | 67.8 | Low | 8 Ų | 8 | 78.7 Ų | 78.7 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -104.2 | 121.5 | 179.5 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | W264 P265 R266 M270 V344 P347 | W264-V268 HydrophobicContact CZ2-CG1 3.83Å; W264-V268 PolarHBondContact NE1-O 3.41Å; P265-V268 HydrophobicContact CB-CB 4.38Å; P265-V268 HydrophobicContact CB-CG2 4.07Å; P265-V268 HydrophobicContact CG-CG2 4.19Å; P265-V268 PolarHBondContact O-N 3.17Å; R266-V268 VanDerWaalsContact C-N 3.34Å; V268-M270 PolarHBondContact O-N 2.96Å; V268-M270 VanDerWaalsContact O-N 3.14Å; V268-V344 HydrophobicContact CG1-CB 4.47Å; V268-V344 HydrophobicContact CG1-CG1 3.86Å; V268-V344 HydrophobicContact CG1-CG2 4.04Å; V268-V344 HydrophobicContact CG2-CG1 4.35Å; V268-P347 HydrophobicContact CG2-CB 3.57Å; V268-P347 HydrophobicContact CG2-CG 3.94Å |
| 269 | P | 64.5 | Low | 65.6 | Low | 110 Ų | 110 | 87.1 Ų | 87.1 | 71% | 0.714 | 43% | 0.428 | S | S | * | . | trans | -53.3 | 124 | 170.5 | -21.7 | 31.8 | 0 | 0 | 0 | 109.1 | I271 | P269-I271 PolarHBondContact O-N 3.42Š| ||
| 270 | M | 61.3 | Low | 63.8 | Low | 65 Ų | 65 | 93.9 Ų | 93.9 | 32% | 0.32 | 46% | 0.464 | S | S | . | . | trans | -58.5 | 137 | 169.2 | -86.6 | -148.9 | 78.6 | 0 | 0 | 108.2 | L132 F261 W264 V268 N272 Q273 | L132-M270 HydrophobicContact CD1-CE 3.29Å; L132-M270 HydrophobicContact CD1-SD 4.31Å; L132-M270 HydrophobicContact CG-CE 4.43Å; F261-M270 HydrophobicContact CB-CE 4.21Å; W264-M270 HydrophobicContact CB-CG 4.29Å; W264-M270 HydrophobicContact CB-SD 4.47Å; W264-M270 VanDerWaalsContact CD1-CG 3.41Å; W264-M270 HydrophobicContact CD2-CG 4.48Å; W264-M270 HydrophobicContact CG-CE 4.47Å; W264-M270 HydrophobicContact CG-CG 3.8Å; W264-M270 HydrophobicContact CG-SD 4.47Å; V268-M270 PolarHBondContact O-N 2.96Å; V268-M270 VanDerWaalsContact O-N 3.14Å; M270-N272 PolarHBondContact O-N 3.39Å; M270-Q273 PolarHBondContact O-N 3.44Å | ||
| 271 | I | 51.4 | Low | 62.8 | Low | 90 Ų | 90 | 94.2 Ų | 94.2 | 46% | 0.462 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 115.6 | 166.2 | -58.2 | 172.3 | 0 | 0 | 0 | 105.7 | P269 | P269-I271 PolarHBondContact O-N 3.42Š|
| 272 | N | 45.8 | Very low | 62.5 | Low | 73 Ų | 73 | 94.3 Ų | 94.3 | 39% | 0.39 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 31.2 | 178 | -52.5 | -27.9 | 0 | 0 | 0 | 120.5 | R130 M270 G274 | R130-N272 PolarHBondContact O-ND2 3.3Å; M270-N272 PolarHBondContact O-N 3.39Å; N272-G274 PolarHBondContact O-N 2.99Å |
| 273 | Q | 46.8 | Very low | 62.6 | Low | 199 Ų | 199 | 92.3 Ų | 92.3 | 93% | 0.93 | 47% | 0.467 | S | S | * | . | trans | 51.1 | 24.2 | 160.9 | -63.3 | -174.6 | 5.3 | 0 | 0 | 116.3 | M270 | M270-Q273 PolarHBondContact O-N 3.44Š| ||
| 274 | G | 44.1 | Very low | 62.7 | Low | 31 Ų | 31 | 90.9 Ų | 90.9 | 32% | 0.32 | 46% | 0.462 | S | S | . | . | trans | -76.7 | 134.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | N272 | N272-G274 PolarHBondContact O-N 2.99Š| ||
| 275 | S | 44.3 | Very low | 62.8 | Low | 95 Ų | 95 | 91 Ų | 91 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | trans | -57.4 | 149.9 | 167.9 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | T133 I277 | T133-S275 WeakPolarHBondContact CG2-O 3.36Å; S275-I277 PolarHBondContact O-N 2.97Å | ||
| 276 | R | 53.8 | Low | 63 | Low | 212 Ų | 212 | 90.7 Ų | 90.7 | 80% | 0.8 | 47% | 0.467 | S | S | * | . | trans | -45.3 | 137.3 | 176.3 | -65.8 | 175.4 | -178.8 | 173.3 | 1.3 | 110.4 | Q278 | R276-Q278 PolarHBondContact O-N 3.37Š| ||
| 277 | I | 55.8 | Low | 63.6 | Low | 69 Ų | 69 | 84.2 Ų | 84.2 | 35% | 0.354 | 45% | 0.446 | S | S | . | . | trans | -59.4 | 104.1 | 169.5 | -60.5 | 173.3 | 0 | 0 | 0 | 106.8 | T133 F261 S275 S281 I283 | T133-I277 HydrophobicContact CG2-CG1 4.43Å; F261-I277 HydrophobicContact CD2-CD1 3.72Å; F261-I277 HydrophobicContact CE2-CD1 3.98Å; S275-I277 PolarHBondContact O-N 2.97Å; I277-S281 WeakPolarHBondContact CG2-OG 3.32Å; I277-I283 HydrophobicContact CD1-CD1 3.91Å; I277-I283 HydrophobicContact CG1-CD1 4.09Å; I277-I283 HydrophobicContact CG2-CD1 4.09Å | ||
| 278 | Q | 49.1 | Very low | 64.2 | Low | 152 Ų | 152 | 83.9 Ų | 83.9 | 71% | 0.71 | 44% | 0.437 | S | S | * | . | trans | -72.3 | 150.7 | 175.5 | -70 | 175.3 | -2.3 | 0 | 0 | 109.4 | R276 N280 S281 | R276-Q278 PolarHBondContact O-N 3.37Å; Q278-N280 PolarHBondContact O-N 3.45Å; Q278-S281 WeakPolarHBondContact O-CB 3.47Å; Q278-S281 PolarHBondContact O-N 3.23Å | ||
| 279 | E | 45.4 | Very low | 64.9 | Low | 188 Ų | 188 | 83.7 Ų | 83.7 | 88% | 0.879 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 136.6 | 163.9 | -69.3 | 177.6 | 169.3 | 0 | 0 | 108.3 | ||
| 280 | N | 51.9 | Low | 66.1 | Low | 145 Ų | 145 | 78.8 Ų | 78.8 | 78% | 0.775 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 23.7 | -171.9 | -54.2 | -27.2 | 0 | 0 | 0 | 117.1 | Q278 G282 | Q278-N280 PolarHBondContact O-N 3.45Å; N280-G282 PolarHBondContact O-N 2.93Å |
| 281 | S | 65.5 | Low | 67.3 | Low | 18 Ų | 18 | 77.9 Ų | 77.9 | 13% | 0.126 | 40% | 0.403 | C | S | . | . | trans | -66.5 | -18.3 | 174.1 | 65.5 | 0 | 0 | 0 | 0 | 114.6 | R142 I277 Q278 I283 | R142-S281 WeakPolarHBondContact CD-O 3.38Å; R142-S281 PolarHBondContact NE-O 2.94Å; R142-S281 PolarHBondContact NH1-O 3.31Å; I277-S281 WeakPolarHBondContact CG2-OG 3.32Å; Q278-S281 WeakPolarHBondContact O-CB 3.47Å; Q278-S281 PolarHBondContact O-N 3.23Å; S281-I283 PolarHBondContact O-N 3.49Å; S281-I283 PolarHBondContact OG-N 3.15Å | ||
| 282 | G | 77.8 | Confident | 69.1 | Low | 22 Ų | 22 | 74.9 Ų | 74.9 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 76.3 | 5.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P139 S143 N280 | P139-G282 WeakPolarHBondContact O-CA 3.29Å; S143-G282 WeakPolarHBondContact CA-O 3.34Å; S143-G282 VanDerWaalsContact CB-O 3.3Å; S143-G282 WeakPolarHBondContact CB-O 3.48Å; S143-G282 PolarHBondContact N-O 3.39Å; N280-G282 PolarHBondContact O-N 2.93Å |
| 283 | I | 86.7 | Confident | 71.5 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 126 | 165.2 | -56.7 | 178.2 | 0 | 0 | 0 | 107.2 | L132 R142 Y146 F261 I277 S281 | L132-I283 WeakPolarHBondContact O-CD1 3.34Å; R142-I283 VanDerWaalsContact CD-CG1 3.43Å; R142-I283 HydrophobicContact CG-CG1 3.93Å; Y146-I283 HydrophobicContact CD1-CG2 4.16Å; Y146-I283 HydrophobicContact CD2-CG1 4.27Å; Y146-I283 HydrophobicContact CD2-CG2 4.04Å; Y146-I283 HydrophobicContact CE1-CG2 3.99Å; Y146-I283 HydrophobicContact CE2-CB 4.34Å; Y146-I283 HydrophobicContact CE2-CD1 4.04Å; Y146-I283 HydrophobicContact CE2-CG1 3.77Å; Y146-I283 HydrophobicContact CE2-CG2 3.86Å; Y146-I283 HydrophobicContact CG-CG2 4.19Å; F261-I283 HydrophobicContact CE2-CG2 4.09Å; F261-I283 HydrophobicContact CZ-CG2 4.22Å; I277-I283 HydrophobicContact CD1-CD1 3.91Å; I277-I283 HydrophobicContact CG1-CD1 4.09Å; I277-I283 HydrophobicContact CG2-CD1 4.09Å; S281-I283 PolarHBondContact O-N 3.49Å; S281-I283 PolarHBondContact OG-N 3.15Å |
| 284 | P | 87.6 | Confident | 73.6 | Confident | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 153.4 | 176.7 | -22.8 | 34.5 | 0 | 0 | 0 | 111.4 | V147 Y262 E288 L289 | V147-P284 HydrophobicContact CG2-CG 4.49Å; Y262-P284 PolarHBondContact OH-O 3.11Å; P284-E288 HydrophobicContact CB-CB 4.15Å; P284-L289 HydrophobicContact CB-CD2 3.71Å; P284-L289 HydrophobicContact CB-CG 4.08Å; P284-L289 HydrophobicContact CG-CD2 3.84Å |
| 285 | S | 86.5 | Confident | 75.8 | Confident | 44 Ų | 44 | 69.1 Ų | 69.1 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 158 | 167.4 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | E287 E288 L289 | S285-E287 PolarHBondContact O-N 3.25Å; S285-E288 WeakPolarHBondContact CB-OE2 3.36Å; S285-E288 PolarHBondContact N-OE2 3.41Å; S285-E288 PolarHBondContact O-N 3.48Å; S285-E288 WeakPolarHBondContact OG-CB 3.29Å; S285-E288 VanDerWaalsContact OG-CD 3.23Å; S285-E288 WeakPolarHBondContact OG-CG 3.45Å; S285-E288 PolarHBondContact OG-N 3.13Å; S285-E288 PolarHBondContact OG-OE2 3.17Å; S285-L289 PolarHBondContact O-N 3.35Å; S285-L289 VanDerWaalsContact O-N 3.08Å |
| 286 | M | 86.3 | Confident | 78 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -36.8 | 176.6 | -172.9 | -177.7 | 62.1 | 0 | 0 | 111 | Y262 F263 L289 I290 W306 F360 | Y262-M286 HydrophobicContact CD1-CB 4.38Å; Y262-M286 HydrophobicContact CD2-CB 3.78Å; Y262-M286 HydrophobicContact CD2-CG 3.95Å; Y262-M286 HydrophobicContact CD2-SD 4.31Å; Y262-M286 HydrophobicContact CE1-CB 4.34Å; Y262-M286 HydrophobicContact CE2-CB 3.74Å; Y262-M286 HydrophobicContact CE2-CG 4.04Å; Y262-M286 HydrophobicContact CG-CB 4.11Å; F263-M286 HydrophobicContact CE2-CE 3.85Å; F263-M286 HydrophobicContact CE2-SD 3.38Å; F263-M286 WeakPolarHBondContact CE2-SD 3.49Å; F263-M286 HydrophobicContact CZ-CE 3.51Å; F263-M286 HydrophobicContact CZ-SD 3.63Å; M286-L289 PolarHBondContact O-N 2.88Å; M286-I290 HydrophobicContact CE-CD1 4.4Å; M286-I290 HydrophobicContact CG-CD1 3.99Å; M286-I290 HydrophobicContact CG-CG1 4.44Å; M286-I290 WeakPolarHBondContact O-CG1 3.3Å; M286-I290 PolarHBondContact O-N 3.38Å; M286-I290 HydrophobicContact SD-CD1 4.47Å; M286-W306 HydrophobicContact SD-CZ2 4.06Å; M286-F360 HydrophobicContact CE-CD2 4.4Å; M286-F360 HydrophobicContact CE-CE1 4.3Å; M286-F360 HydrophobicContact CE-CE2 3.21Å; M286-F360 HydrophobicContact CE-CZ 3.15Å |
| 287 | E | 84.1 | Confident | 79.8 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 47% | 0.467 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 178 | -65.9 | 73.6 | -163.6 | 0 | 0 | 111.6 | S285 S291 | S285-E287 PolarHBondContact O-N 3.25Å; E287-S291 WeakPolarHBondContact O-CB 3.25Å; E287-S291 PolarHBondContact O-N 2.88Å |
| 288 | E | 85.1 | Confident | 81.3 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 173.2 | -74.9 | 163.5 | 136.2 | 0 | 0 | 111.7 | P284 S285 S291 I292 | P284-E288 HydrophobicContact CB-CB 4.15Å; S285-E288 WeakPolarHBondContact CB-OE2 3.36Å; S285-E288 PolarHBondContact N-OE2 3.41Å; S285-E288 PolarHBondContact O-N 3.48Å; S285-E288 WeakPolarHBondContact OG-CB 3.29Å; S285-E288 VanDerWaalsContact OG-CD 3.23Å; S285-E288 WeakPolarHBondContact OG-CG 3.45Å; S285-E288 PolarHBondContact OG-N 3.13Å; S285-E288 PolarHBondContact OG-OE2 3.17Å; E288-S291 WeakPolarHBondContact O-CB 3.44Å; E288-S291 PolarHBondContact O-N 2.86Å; E288-I292 VanDerWaalsContact O-CG1 3.3Å; E288-I292 WeakPolarHBondContact O-CG1 3.47Å; E288-I292 PolarHBondContact O-N 2.9Å |
| 289 | L | 89.7 | Confident | 83 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.9 | -67.5 | -169.2 | 0 | 0 | 0 | 112 | Y146 V150 Y262 P284 S285 M286 S291 I292 Y293 | Y146-L289 HydrophobicContact CD1-CD1 4.18Å; V150-L289 WeakPolarHBondContact CG1-O 3.24Å; V150-L289 HydrophobicContact CG2-CB 4.13Å; V150-L289 HydrophobicContact CG2-CD1 4.06Å; V150-L289 HydrophobicContact CG2-CD2 3.89Å; V150-L289 HydrophobicContact CG2-CG 4.23Å; Y262-L289 HydrophobicContact CE2-CD1 4.16Å; Y262-L289 WeakPolarHBondContact OH-CD1 3.32Å; P284-L289 HydrophobicContact CB-CD2 3.71Å; P284-L289 HydrophobicContact CB-CG 4.08Å; P284-L289 HydrophobicContact CG-CD2 3.84Å; S285-L289 PolarHBondContact O-N 3.35Å; S285-L289 VanDerWaalsContact O-N 3.08Å; M286-L289 PolarHBondContact O-N 2.88Å; L289-S291 VanDerWaalsContact C-N 3.3Å; L289-S291 PolarHBondContact O-N 2.83Å; L289-I292 PolarHBondContact O-N 3.31Å; L289-Y293 WeakPolarHBondContact O-CB 3.25Å; L289-Y293 PolarHBondContact O-N 3.39Å |
| 290 | I | 90.3 | Very high | 84.6 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.2 | -70.9 | 169.2 | 0 | 0 | 0 | 110.3 | L255 M286 Y293 C294 L303 W306 | L255-I290 HydrophobicContact CD2-CG1 4.41Å; M286-I290 HydrophobicContact CE-CD1 4.4Å; M286-I290 HydrophobicContact CG-CD1 3.99Å; M286-I290 HydrophobicContact CG-CG1 4.44Å; M286-I290 WeakPolarHBondContact O-CG1 3.3Å; M286-I290 PolarHBondContact O-N 3.38Å; M286-I290 HydrophobicContact SD-CD1 4.47Å; I290-Y293 PolarHBondContact O-N 2.95Å; I290-C294 WeakPolarHBondContact O-CB 3.49Å; I290-C294 PolarHBondContact O-N 2.97Å; I290-C294 PolarHBondContact O-SG 3.34Å; I290-L303 HydrophobicContact CG2-CD1 3.71Å; I290-L303 HydrophobicContact CG2-CG 4.21Å; I290-W306 HydrophobicContact CD1-CD2 4.43Å; I290-W306 HydrophobicContact CD1-CH2 4.45Å; I290-W306 HydrophobicContact CD1-CZ2 3.82Å; I290-W306 HydrophobicContact CG1-CZ2 4.46Å |
| 291 | S | 85.8 | Confident | 85.6 | Confident | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.7 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | E287 E288 L289 C294 R295 | E287-S291 WeakPolarHBondContact O-CB 3.25Å; E287-S291 PolarHBondContact O-N 2.88Å; E288-S291 WeakPolarHBondContact O-CB 3.44Å; E288-S291 PolarHBondContact O-N 2.86Å; L289-S291 VanDerWaalsContact C-N 3.3Å; L289-S291 PolarHBondContact O-N 2.83Å; S291-C294 PolarHBondContact O-N 3.49Å; S291-R295 VanDerWaalsContact O-CB 3.3Å; S291-R295 WeakPolarHBondContact O-CB 3.41Å; S291-R295 PolarHBondContact O-N 3.34Å |
| 292 | I | 89.6 | Confident | 86.1 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 176.7 | -67.9 | 164.5 | 0 | 0 | 0 | 109.9 | V147 V150 E151 E288 L289 C294 R295 C296 | V147-I292 HydrophobicContact CG1-CD1 4.36Å; V147-I292 HydrophobicContact CG2-CD1 3.83Å; V150-I292 HydrophobicContact CG1-CB 4.44Å; V150-I292 HydrophobicContact CG1-CG2 4.2Å; E151-I292 HydrophobicContact CG-CG2 3.95Å; E288-I292 VanDerWaalsContact O-CG1 3.3Å; E288-I292 WeakPolarHBondContact O-CG1 3.47Å; E288-I292 PolarHBondContact O-N 2.9Å; L289-I292 PolarHBondContact O-N 3.31Å; I292-C294 VanDerWaalsContact C-N 3.34Å; I292-C294 PolarHBondContact O-N 2.91Å; I292-R295 WeakPolarHBondContact O-CB 3.5Å; I292-R295 PolarHBondContact O-N 3.41Å; I292-C296 PolarHBondContact O-N 3.1Å; I292-C296 PolarHBondContact O-SG 3.24Å |
| 293 | Y | 95.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54 | -50.3 | 177.1 | 176.4 | -94.2 | 0 | 0 | 0 | 111.9 | V150 L153 A154 H157 L252 L255 L289 I290 R295 C296 R297 I299 | V150-Y293 HydrophobicContact CG1-CD2 4.45Å; L153-Y293 HydrophobicContact CG-CE2 4.26Å; A154-Y293 HydrophobicContact CB-CD2 3.79Å; A154-Y293 HydrophobicContact CB-CE2 4.13Å; H157-Y293 AromaticContact ND1-CE2 3.49Å; H157-Y293 WeakPolarHBondContact ND1-CE2 3.39Å; H157-Y293 AromaticContact ND1-CZ 3.59Å; H157-Y293 PolarHBondContact ND1-OH 3.38Å; L252-Y293 HydrophobicContact CD2-CE1 4.28Å; L255-Y293 HydrophobicContact CD1-CD2 4Å; L255-Y293 HydrophobicContact CD1-CG 3.98Å; L255-Y293 HydrophobicContact CD2-CD1 3.58Å; L255-Y293 HydrophobicContact CD2-CD2 4.42Å; L255-Y293 HydrophobicContact CD2-CE1 3.83Å; L255-Y293 HydrophobicContact CD2-CG 3.88Å; L289-Y293 WeakPolarHBondContact O-CB 3.25Å; L289-Y293 PolarHBondContact O-N 3.39Å; I290-Y293 PolarHBondContact O-N 2.95Å; Y293-R295 VanDerWaalsContact C-N 3.34Å; Y293-R295 PolarHBondContact O-N 3.21Å; Y293-C296 PolarHBondContact O-N 3.42Å; Y293-R297 HydrophobicContact CD1-CG 4.3Å; Y293-R297 HydrophobicContact CE1-CG 3.88Å; Y293-R297 HydrophobicContact CE2-CG 4.11Å; Y293-R297 WeakPolarHBondContact O-CB 3.3Å; Y293-R297 WeakPolarHBondContact O-CG 3.4Å; Y293-R297 PolarHBondContact O-N 2.96Å; Y293-R297 PolarHBondContact OH-NH1 3.11Å; Y293-I299 HydrophobicContact CE1-CD1 4.04Å |
| 294 | C | 91.6 | Very high | 85.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | -178.8 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | I290 S291 I292 R297 G298 I299 N300 | I290-C294 WeakPolarHBondContact O-CB 3.49Å; I290-C294 PolarHBondContact O-N 2.97Å; I290-C294 PolarHBondContact O-SG 3.34Å; S291-C294 PolarHBondContact O-N 3.49Å; I292-C294 VanDerWaalsContact C-N 3.34Å; I292-C294 PolarHBondContact O-N 2.91Å; C294-R297 CarbonylContact O-C 3.58Å; C294-R297 PolarHBondContact O-N 3.34Å; C294-G298 PolarHBondContact O-N 2.81Å; C294-I299 HydrophobicContact CB-CG1 3.95Å; C294-I299 PolarHBondContact O-N 2.91Å; C294-N300 PolarHBondContact SG-O 2.85Å |
| 295 | R | 90.1 | Very high | 85.7 | Confident | 179 Ų | 179 | 53.9 Ų | 53.9 | 68% | 0.675 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62 | -47 | 175.9 | -172.4 | -171.5 | -52.1 | -178.1 | 4.4 | 111.8 | S291 I292 Y293 R297 G298 | S291-R295 VanDerWaalsContact O-CB 3.3Å; S291-R295 WeakPolarHBondContact O-CB 3.41Å; S291-R295 PolarHBondContact O-N 3.34Å; I292-R295 WeakPolarHBondContact O-CB 3.5Å; I292-R295 PolarHBondContact O-N 3.41Å; Y293-R295 VanDerWaalsContact C-N 3.34Å; Y293-R295 PolarHBondContact O-N 3.21Å; R295-R297 VanDerWaalsContact C-N 3.31Å; R295-R297 PolarHBondContact O-N 3.22Å; R295-G298 PolarHBondContact O-N 3.18Å |
| 296 | C | 89.7 | Confident | 85.9 | Confident | 55 Ų | 55 | 52 Ų | 52 | 37% | 0.372 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.9 | -33.4 | 178 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | A154 I292 Y293 | A154-C296 HydrophobicContact CB-CB 3.43Å; A154-C296 VanDerWaalsContact CB-CB 3.43Å; I292-C296 PolarHBondContact O-N 3.1Å; I292-C296 PolarHBondContact O-SG 3.24Å; Y293-C296 PolarHBondContact O-N 3.42Å |
| 297 | R | 91.2 | Very high | 86.2 | Confident | 37 Ų | 37 | 53 Ų | 53 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -79.1 | -17.2 | 174.9 | -75.1 | -68.5 | -57.5 | -89.8 | 0.3 | 113.9 | A154 S158 E215 Y293 C294 R295 I299 | A154-R297 HydrophobicContact CB-CG 4.11Å; A154-R297 WeakPolarHBondContact O-CD 3.36Å; S158-R297 WeakPolarHBondContact OG-CD 3.19Å; E215-R297 IonicContact OE1-NH2 2.67Å; E215-R297 PolarHBondContact OE1-NH2 3.38Å; Y293-R297 HydrophobicContact CD1-CG 4.3Å; Y293-R297 HydrophobicContact CE1-CG 3.88Å; Y293-R297 HydrophobicContact CE2-CG 4.11Å; Y293-R297 WeakPolarHBondContact O-CB 3.3Å; Y293-R297 WeakPolarHBondContact O-CG 3.4Å; Y293-R297 PolarHBondContact O-N 2.96Å; Y293-R297 PolarHBondContact OH-NH1 3.11Å; C294-R297 CarbonylContact O-C 3.58Å; C294-R297 PolarHBondContact O-N 3.34Å; R295-R297 VanDerWaalsContact C-N 3.31Å; R295-R297 PolarHBondContact O-N 3.22Å; R297-I299 VanDerWaalsContact C-N 3.33Å; R297-I299 HydrophobicContact CB-CB 4.47Å; R297-I299 HydrophobicContact CB-CD1 4Å; R297-I299 HydrophobicContact CB-CG1 3.81Å; R297-I299 HydrophobicContact CB-CG2 4.13Å; R297-I299 HydrophobicContact CG-CD1 4.39Å |
| 298 | G | 87.4 | Confident | 86.6 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 29.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | C294 R295 | C294-G298 PolarHBondContact O-N 2.81Å; R295-G298 PolarHBondContact O-N 3.18Å |
| 299 | I | 85.7 | Confident | 87.1 | Confident | 69 Ų | 69 | 43.4 Ų | 43.4 | 35% | 0.354 | 25% | 0.245 | S | C | . | . | trans | -111.3 | 168.1 | -179.6 | 66.4 | 179 | 0 | 0 | 0 | 111.8 | Y293 C294 R297 L303 | Y293-I299 HydrophobicContact CE1-CD1 4.04Å; C294-I299 HydrophobicContact CB-CG1 3.95Å; C294-I299 PolarHBondContact O-N 2.91Å; R297-I299 VanDerWaalsContact C-N 3.33Å; R297-I299 HydrophobicContact CB-CB 4.47Å; R297-I299 HydrophobicContact CB-CD1 4Å; R297-I299 HydrophobicContact CB-CG1 3.81Å; R297-I299 HydrophobicContact CB-CG2 4.13Å; R297-I299 HydrophobicContact CG-CD1 4.39Å; I299-L303 HydrophobicContact CD1-CD2 4.09Å | ||
| 300 | N | 79.1 | Confident | 87.3 | Confident | 105 Ų | 105 | 43.2 Ų | 43.2 | 56% | 0.561 | 24% | 0.244 | S | C | * | . | trans | -64.8 | 139.1 | 178 | -163.5 | -37.8 | 0 | 0 | 0 | 111.1 | C294 I302 | C294-N300 PolarHBondContact SG-O 2.85Å; N300-I302 PolarHBondContact O-N 3.37Å; N300-I302 WeakPolarHBondContact OD1-CB 3.44Å; N300-I302 PolarHBondContact OD1-N 2.94Å | ||
| 301 | S | 72.8 | Confident | 87.5 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -66.4 | -19.3 | 174.5 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | L303 | S301-L303 PolarHBondContact O-N 3.32Š|
| 302 | I | 75.2 | Confident | 88 | Confident | 71 Ų | 71 | 41 Ų | 41 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | trans | -80.8 | 99.3 | 171.3 | -55.8 | 175.1 | 0 | 0 | 0 | 107.9 | N300 P304 T362 V363 | N300-I302 PolarHBondContact O-N 3.37Å; N300-I302 WeakPolarHBondContact OD1-CB 3.44Å; N300-I302 PolarHBondContact OD1-N 2.94Å; I302-P304 WeakPolarHBondContact O-CD 3.46Å; I302-T362 WeakPolarHBondContact CG2-OG1 3.25Å; I302-V363 HydrophobicContact CD1-CB 4.5Å; I302-V363 HydrophobicContact CD1-CG1 4.01Å; I302-V363 HydrophobicContact CD1-CG2 4.35Å | ||
| 303 | L | 83.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -85.1 | 107 | 173.1 | -58.1 | 177.6 | 0 | 0 | 0 | 109.4 | L252 L255 I290 I299 S301 W306 T362 | L252-L303 HydrophobicContact CD1-CB 4.23Å; L252-L303 HydrophobicContact CD1-CD2 4.44Å; L252-L303 HydrophobicContact CD2-CD1 3.76Å; L252-L303 HydrophobicContact CD2-CD2 4.03Å; L252-L303 HydrophobicContact CD2-CG 4.4Å; L255-L303 HydrophobicContact CD2-CD1 3.81Å; I290-L303 HydrophobicContact CG2-CD1 3.71Å; I290-L303 HydrophobicContact CG2-CG 4.21Å; I299-L303 HydrophobicContact CD1-CD2 4.09Å; S301-L303 PolarHBondContact O-N 3.32Å; L303-W306 HydrophobicContact CB-CB 4.35Å; L303-W306 HydrophobicContact CD1-CE3 4.04Å; L303-W306 HydrophobicContact CD1-CZ3 4.37Å; L303-T362 HydrophobicContact CB-CG2 4.05Å; L303-T362 PolarHBondContact N-OG1 3Å; L303-T362 PolarHBondContact O-OG1 2.91Å | ||
| 304 | P | 75.5 | Confident | 88.2 | Confident | 89 Ų | 89 | 40 Ų | 40 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 148.1 | 174.3 | 28.4 | -34 | 0 | 0 | 0 | 109.6 | I302 W306 | I302-P304 WeakPolarHBondContact O-CD 3.46Å; P304-W306 PolarHBondContact O-N 3.34Å; P304-W306 VanDerWaalsContact O-N 3.13Å |
| 305 | N | 86.6 | Confident | 88.4 | Confident | 69 Ų | 69 | 40 Ų | 40 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 20.9 | 178.8 | -51.2 | -51.8 | 0 | 0 | 0 | 114.6 | P210 N307 F308 F309 | P210-N305 HydrophobicContact CB-CB 4.25Å; P210-N305 HydrophobicContact CG-CB 4.14Å; N305-N307 PolarHBondContact O-N 2.94Å; N305-F308 HydrophobicContact CB-CB 4.15Å; N305-F308 WeakPolarHBondContact O-CA 3.45Å; N305-F308 WeakPolarHBondContact O-CB 3.37Å; N305-F308 PolarHBondContact O-N 3.49Å; N305-F309 HydrophobicContact CB-CE2 4.4Å; N305-F309 VanDerWaalsContact O-CD2 3.32Å; N305-F309 WeakPolarHBondContact O-CD2 3.13Å; N305-F309 PolarHBondContact O-N 3.46Å |
| 306 | W | 90.7 | Very high | 88.6 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -52.2 | -41.9 | 179 | 176.7 | -116 | 0 | 0 | 0 | 113.6 | L255 A256 M286 I290 L303 P304 F308 F309 L310 F360 T362 | L255-W306 HydrophobicContact CB-CH2 4.33Å; L255-W306 HydrophobicContact CB-CZ3 4.18Å; L255-W306 HydrophobicContact CD2-CH2 4.13Å; L255-W306 HydrophobicContact CD2-CZ3 3.89Å; L255-W306 HydrophobicContact CG-CH2 3.81Å; L255-W306 HydrophobicContact CG-CZ3 3.93Å; A256-W306 HydrophobicContact CB-CH2 3.97Å; A256-W306 HydrophobicContact CB-CZ3 3.95Å; M286-W306 HydrophobicContact SD-CZ2 4.06Å; I290-W306 HydrophobicContact CD1-CD2 4.43Å; I290-W306 HydrophobicContact CD1-CH2 4.45Å; I290-W306 HydrophobicContact CD1-CZ2 3.82Å; I290-W306 HydrophobicContact CG1-CZ2 4.46Å; L303-W306 HydrophobicContact CB-CB 4.35Å; L303-W306 HydrophobicContact CD1-CE3 4.04Å; L303-W306 HydrophobicContact CD1-CZ3 4.37Å; P304-W306 PolarHBondContact O-N 3.34Å; P304-W306 VanDerWaalsContact O-N 3.13Å; W306-F308 VanDerWaalsContact C-N 3.25Å; W306-F308 PolarHBondContact O-N 2.81Å; W306-F309 PolarHBondContact O-N 2.83Å; W306-F309 VanDerWaalsContact O-N 3.1Å; W306-L310 HydrophobicContact CD2-CG 4.37Å; W306-L310 HydrophobicContact CH2-CD2 4.37Å; W306-L310 HydrophobicContact CZ2-CD1 4.36Å; W306-L310 HydrophobicContact CZ2-CD2 3.78Å; W306-L310 HydrophobicContact CZ2-CG 4.02Å; W306-L310 PolarHBondContact O-N 3.04Å; W306-F360 AromaticContact CD1-CD1 3.3Å; W306-F360 AromaticContact CD1-CE1 3.35Å; W306-F360 AromaticContact CD1-CG 3.84Å; W306-F360 AromaticContact CD1-CZ 3.96Å; W306-F360 HydrophobicContact CG-CD1 4.23Å; W306-F360 HydrophobicContact CG-CE1 4.3Å; W306-F360 AromaticContact NE1-CE1 3.69Å; W306-F360 AromaticContact NE1-CZ 3.86Å; W306-T362 HydrophobicContact CB-CG2 3.83Å; W306-T362 HydrophobicContact CG-CG2 4.07Å |
| 307 | N | 90.8 | Very high | 88.7 | Confident | 25 Ų | 25 | 31.5 Ų | 31.5 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -32.5 | 175.9 | -71.7 | -18.3 | 0 | 0 | 0 | 113.5 | N305 F309 A311 R358 F360 | N305-N307 PolarHBondContact O-N 2.94Å; N307-F309 VanDerWaalsContact C-N 3.33Å; N307-A311 WeakPolarHBondContact O-CB 3.38Å; N307-A311 PolarHBondContact O-N 2.89Å; N307-R358 PolarHBondContact ND2-O 2.84Å; N307-F360 WeakPolarHBondContact ND2-CB 3.17Å; N307-F360 WeakPolarHBondContact OD1-CB 3.32Å |
| 308 | F | 94.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 174.3 | 172.6 | -86.1 | 0 | 0 | 0 | 110.1 | C176 V180 W204 L205 N208 L209 P210 N305 W306 A311 L312 | C176-F308 HydrophobicContact CB-CE1 3.62Å; C176-F308 HydrophobicContact CB-CZ 3.77Å; V180-F308 HydrophobicContact CG2-CZ 4.14Å; W204-F308 HydrophobicContact CH2-CB 4.34Å; W204-F308 HydrophobicContact CZ3-CB 4.39Å; W204-F308 HydrophobicContact CZ3-CD2 4.1Å; L205-F308 HydrophobicContact CB-CE2 4.19Å; L205-F308 HydrophobicContact CD2-CD2 3.69Å; L205-F308 HydrophobicContact CD2-CE2 3.55Å; L205-F308 HydrophobicContact CD2-CG 4.37Å; L205-F308 HydrophobicContact CD2-CZ 4.11Å; L205-F308 WeakPolarHBondContact O-CE2 3.23Å; N208-F308 WeakPolarHBondContact O-CD2 3.16Å; L209-F308 HydrophobicContact CD2-CE2 4.07Å; L209-F308 HydrophobicContact CD2-CZ 3.88Å; P210-F308 HydrophobicContact CG-CD1 3.56Å; P210-F308 HydrophobicContact CG-CE1 3.83Å; P210-F308 HydrophobicContact CG-CG 4.06Å; P210-F308 HydrophobicContact CG-CZ 4.5Å; N305-F308 HydrophobicContact CB-CB 4.15Å; N305-F308 WeakPolarHBondContact O-CA 3.45Å; N305-F308 WeakPolarHBondContact O-CB 3.37Å; N305-F308 PolarHBondContact O-N 3.49Å; W306-F308 VanDerWaalsContact C-N 3.25Å; W306-F308 PolarHBondContact O-N 2.81Å; F308-A311 PolarHBondContact O-N 3.08Å; F308-L312 HydrophobicContact CE1-CB 4.44Å; F308-L312 HydrophobicContact CE1-CD2 3.94Å; F308-L312 HydrophobicContact CZ-CD2 4.39Å; F308-L312 VanDerWaalsContact O-CB 3.26Å; F308-L312 WeakPolarHBondContact O-CB 3.33Å; F308-L312 PolarHBondContact O-N 3Å |
| 309 | F | 94.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 179.5 | -67.6 | -77.6 | 0 | 0 | 0 | 112.6 | C176 P210 H250 L252 A256 N305 W306 N307 L312 S313 | C176-F309 VanDerWaalsContact SG-CE1 3.58Å; P210-F309 HydrophobicContact CG-CE2 4.04Å; P210-F309 HydrophobicContact CG-CZ 3.86Å; H250-F309 HydrophobicContact CB-CE1 4.03Å; H250-F309 HydrophobicContact CB-CZ 4.4Å; H250-F309 AromaticContact CD2-CZ 3.75Å; H250-F309 AromaticContact CE1-CE1 3.92Å; H250-F309 AromaticContact CE1-CE2 3.78Å; H250-F309 AromaticContact CE1-CZ 3.24Å; H250-F309 WeakPolarHBondContact CE1-CZ 3.49Å; H250-F309 AromaticContact CG-CE1 3.62Å; H250-F309 AromaticContact CG-CZ 3.54Å; H250-F309 AromaticContact ND1-CE1 3.37Å; H250-F309 WeakPolarHBondContact ND1-CE1 3.27Å; H250-F309 AromaticContact ND1-CZ 3.19Å; H250-F309 WeakPolarHBondContact ND1-CZ 3.44Å; H250-F309 AromaticContact NE2-CZ 3.54Å; L252-F309 HydrophobicContact CB-CB 4.34Å; L252-F309 HydrophobicContact CB-CD1 3.82Å; L252-F309 HydrophobicContact CB-CD2 3.62Å; L252-F309 HydrophobicContact CB-CE1 4Å; L252-F309 HydrophobicContact CB-CE2 3.82Å; L252-F309 HydrophobicContact CB-CG 3.64Å; L252-F309 HydrophobicContact CB-CZ 4.02Å; L252-F309 HydrophobicContact CD1-CD2 3.81Å; L252-F309 HydrophobicContact CD1-CE2 3.7Å; L252-F309 HydrophobicContact CD1-CZ 4.45Å; L252-F309 HydrophobicContact CG-CD2 4.37Å; L252-F309 HydrophobicContact CG-CE2 4.33Å; A256-F309 HydrophobicContact CB-CB 3.67Å; A256-F309 WeakPolarHBondContact CB-O 3.35Å; N305-F309 HydrophobicContact CB-CE2 4.4Å; N305-F309 VanDerWaalsContact O-CD2 3.32Å; N305-F309 WeakPolarHBondContact O-CD2 3.13Å; N305-F309 PolarHBondContact O-N 3.46Å; W306-F309 PolarHBondContact O-N 2.83Å; W306-F309 VanDerWaalsContact O-N 3.1Å; N307-F309 VanDerWaalsContact C-N 3.33Å; F309-L312 PolarHBondContact O-N 2.95Å; F309-S313 PolarHBondContact O-N 3.32Å; F309-S313 PolarHBondContact O-OG 3.26Å |
| 310 | L | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -49.5 | 172.2 | -73.6 | 178.8 | 0 | 0 | 0 | 111.7 | A256 F263 W306 L312 S313 F314 L355 | A256-L310 HydrophobicContact CB-CD2 4.19Å; F263-L310 HydrophobicContact CD2-CD1 4.34Å; F263-L310 HydrophobicContact CD2-CD2 4.27Å; F263-L310 HydrophobicContact CE2-CD1 3.85Å; F263-L310 HydrophobicContact CE2-CD2 4.2Å; W306-L310 HydrophobicContact CD2-CG 4.37Å; W306-L310 HydrophobicContact CH2-CD2 4.37Å; W306-L310 HydrophobicContact CZ2-CD1 4.36Å; W306-L310 HydrophobicContact CZ2-CD2 3.78Å; W306-L310 HydrophobicContact CZ2-CG 4.02Å; W306-L310 PolarHBondContact O-N 3.04Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-L312 PolarHBondContact O-N 3.4Å; L310-S313 PolarHBondContact O-N 3.43Å; L310-F314 WeakPolarHBondContact O-CD2 3.49Å; L310-F314 PolarHBondContact O-N 3.08Å; L310-L355 HydrophobicContact CB-CD1 4.28Å; L310-L355 HydrophobicContact CD1-CD2 4.47Å |
| 311 | A | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L201 W204 L205 N307 F308 F314 F315 | L201-A311 HydrophobicContact CD1-CB 4.01Å; W204-A311 HydrophobicContact CE3-CB 4.5Å; W204-A311 HydrophobicContact CZ3-CB 4Å; L205-A311 HydrophobicContact CD2-CB 3.97Å; N307-A311 WeakPolarHBondContact O-CB 3.38Å; N307-A311 PolarHBondContact O-N 2.89Å; F308-A311 PolarHBondContact O-N 3.08Å; A311-F314 PolarHBondContact O-N 3.18Å; A311-F315 WeakPolarHBondContact O-CB 3.41Å; A311-F315 PolarHBondContact O-N 3.43Å |
| 312 | L | 95.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 176.3 | -179 | 61.4 | 0 | 0 | 0 | 111.8 | Q179 V180 L205 F308 F309 L310 F315 K316 | Q179-L312 HydrophobicContact CB-CD1 4.15Å; Q179-L312 HydrophobicContact CB-CD2 4.18Å; V180-L312 HydrophobicContact CG2-CD1 3.73Å; L205-L312 HydrophobicContact CD1-CD1 4.27Å; L205-L312 HydrophobicContact CD2-CB 4.07Å; F308-L312 HydrophobicContact CE1-CB 4.44Å; F308-L312 HydrophobicContact CE1-CD2 3.94Å; F308-L312 HydrophobicContact CZ-CD2 4.39Å; F308-L312 VanDerWaalsContact O-CB 3.26Å; F308-L312 WeakPolarHBondContact O-CB 3.33Å; F308-L312 PolarHBondContact O-N 3Å; F309-L312 PolarHBondContact O-N 2.95Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-L312 PolarHBondContact O-N 3.4Å; L312-F315 PolarHBondContact O-N 3.44Å; L312-K316 WeakPolarHBondContact O-CB 3.19Å; L312-K316 PolarHBondContact O-N 2.93Å |
| 313 | S | 95 | Very high | 90.8 | Very high | 7 Ų | 7 | 16.9 Ų | 16.9 | 5% | 0.049 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.6 | -67.2 | 0 | 0 | 0 | 0 | 112 | H257 F309 L310 K316 M317 | H257-S313 PolarHBondContact N-OG 3.23Å; F309-S313 PolarHBondContact O-N 3.32Å; F309-S313 PolarHBondContact O-OG 3.26Å; L310-S313 PolarHBondContact O-N 3.43Å; S313-K316 PolarHBondContact O-N 2.9Å; S313-M317 WeakPolarHBondContact O-CG 3.31Å; S313-M317 PolarHBondContact O-N 2.85Å |
| 314 | F | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 173.2 | -87.7 | -82.3 | 0 | 0 | 0 | 112.8 | L260 F263 P265 L310 A311 M317 A318 L348 T351 L355 | L260-F314 HydrophobicContact CD2-CD1 4.48Å; L260-F314 HydrophobicContact CD2-CD2 3.38Å; L260-F314 HydrophobicContact CD2-CE1 4.37Å; L260-F314 HydrophobicContact CD2-CE2 3.26Å; L260-F314 HydrophobicContact CD2-CG 4.02Å; L260-F314 HydrophobicContact CD2-CZ 3.79Å; F263-F314 HydrophobicContact CB-CE2 3.98Å; F263-F314 HydrophobicContact CB-CZ 3.9Å; F263-F314 WeakPolarHBondContact O-CZ 3.44Å; P265-F314 HydrophobicContact CG-CE1 4.45Å; L310-F314 WeakPolarHBondContact O-CD2 3.49Å; L310-F314 PolarHBondContact O-N 3.08Å; A311-F314 PolarHBondContact O-N 3.18Å; F314-M317 PolarHBondContact O-N 2.72Å; F314-A318 WeakPolarHBondContact O-CB 3.49Å; F314-A318 PolarHBondContact O-N 3.06Å; F314-L348 HydrophobicContact CD1-CB 4.37Å; F314-L348 HydrophobicContact CD1-CD2 3.8Å; F314-L348 HydrophobicContact CE1-CD2 3.82Å; F314-T351 HydrophobicContact CD1-CG2 4.09Å; F314-T351 HydrophobicContact CE1-CG2 3.63Å; F314-T351 HydrophobicContact CE2-CG2 4.16Å; F314-T351 HydrophobicContact CZ-CG2 3.67Å; F314-L355 HydrophobicContact CD2-CD1 3.56Å; F314-L355 HydrophobicContact CE2-CD1 3.37Å; F314-L355 HydrophobicContact CZ-CD1 4.29Å |
| 315 | F | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 175.3 | -177.2 | -117.2 | 0 | 0 | 0 | 111.9 | W183 M198 L201 L205 A311 L312 A318 G319 | W183-F315 HydrophobicContact CB-CD1 3.83Å; W183-F315 HydrophobicContact CB-CE1 3.49Å; W183-F315 VanDerWaalsContact CB-CE1 3.49Å; W183-F315 HydrophobicContact CB-CZ 4.37Å; M198-F315 HydrophobicContact CE-CD2 3.63Å; M198-F315 HydrophobicContact CE-CE2 3.42Å; M198-F315 VanDerWaalsContact CE-CE2 3.42Å; M198-F315 HydrophobicContact CE-CZ 4.35Å; M198-F315 HydrophobicContact SD-CD2 3.85Å; M198-F315 HydrophobicContact SD-CE2 4.04Å; L201-F315 HydrophobicContact CB-CD2 4.46Å; L201-F315 HydrophobicContact CD2-CB 3.8Å; L201-F315 HydrophobicContact CD2-CD2 4.01Å; L201-F315 HydrophobicContact CD2-CG 4.37Å; L201-F315 HydrophobicContact CG-CB 4.16Å; L201-F315 HydrophobicContact CG-CD2 4.06Å; L201-F315 HydrophobicContact CG-CG 4.43Å; L205-F315 HydrophobicContact CD1-CB 3.64Å; L205-F315 HydrophobicContact CD1-CD1 3.74Å; L205-F315 HydrophobicContact CD1-CD2 4.4Å; L205-F315 HydrophobicContact CD1-CE1 4.49Å; L205-F315 HydrophobicContact CD1-CG 3.68Å; A311-F315 WeakPolarHBondContact O-CB 3.41Å; A311-F315 PolarHBondContact O-N 3.43Å; L312-F315 PolarHBondContact O-N 3.44Å; F315-A318 PolarHBondContact O-N 3.45Å; F315-G319 PolarHBondContact O-N 2.88Å |
| 316 | K | 93.8 | Very high | 91.2 | Very high | 26 Ų | 26 | 13.7 Ų | 13.7 | 11% | 0.113 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 173.3 | 170.7 | 171.9 | 176.4 | -161 | 0 | 111.3 | W183 G221 L312 S313 A318 G319 I320 | W183-K316 HydrophobicContact CD2-CB 4.27Å; W183-K316 HydrophobicContact CD2-CG 4.14Å; W183-K316 HydrophobicContact CG-CB 4.44Å; W183-K316 HydrophobicContact CH2-CG 4.16Å; W183-K316 HydrophobicContact CZ2-CD 3.91Å; W183-K316 HydrophobicContact CZ2-CG 3.57Å; G221-K316 PolarHBondContact O-NZ 3.37Å; L312-K316 WeakPolarHBondContact O-CB 3.19Å; L312-K316 PolarHBondContact O-N 2.93Å; S313-K316 PolarHBondContact O-N 2.9Å; K316-A318 PolarHBondContact O-N 3.48Å; K316-G319 PolarHBondContact O-N 3.25Å; K316-I320 HydrophobicContact CG-CD1 3.99Å; K316-I320 WeakPolarHBondContact O-CG1 3.5Å; K316-I320 PolarHBondContact O-N 3.21Å |
| 317 | M | 91.3 | Very high | 90.8 | Very high | 31 Ų | 31 | 19 Ų | 19 | 15% | 0.153 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 179.3 | -72.4 | -57.1 | -61.9 | 0 | 0 | 112.8 | L260 W264 S313 F314 I320 A321 L348 | L260-M317 HydrophobicContact CD1-CG 3.79Å; W264-M317 HydrophobicContact CH2-CE 4.34Å; S313-M317 WeakPolarHBondContact O-CG 3.31Å; S313-M317 PolarHBondContact O-N 2.85Å; F314-M317 PolarHBondContact O-N 2.72Å; M317-I320 PolarHBondContact O-N 3.31Å; M317-I320 HydrophobicContact SD-CD1 4.38Å; M317-A321 WeakPolarHBondContact O-CB 3.34Å; M317-A321 PolarHBondContact O-N 2.9Å; M317-L348 HydrophobicContact CB-CD1 4Å |
| 318 | A | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | M198 F314 F315 K316 A321 Q322 V345 L348 | M198-A318 HydrophobicContact CE-CB 3.98Å; M198-A318 HydrophobicContact SD-CB 3.48Å; M198-A318 WeakPolarHBondContact SD-CB 2.95Å; F314-A318 WeakPolarHBondContact O-CB 3.49Å; F314-A318 PolarHBondContact O-N 3.06Å; F315-A318 PolarHBondContact O-N 3.45Å; K316-A318 PolarHBondContact O-N 3.48Å; A318-A321 PolarHBondContact O-N 3.16Å; A318-Q322 WeakPolarHBondContact O-CB 3.44Å; A318-Q322 PolarHBondContact O-N 3.24Å; A318-V345 HydrophobicContact CB-CG1 4.32Å; A318-L348 HydrophobicContact CB-CB 3.93Å |
| 319 | G | 91.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F315 K316 Q322 G323 | F315-G319 PolarHBondContact O-N 2.88Å; K316-G319 PolarHBondContact O-N 3.25Å; G319-Q322 PolarHBondContact O-N 3.48Å; G319-G323 PolarHBondContact O-N 2.8Å |
| 320 | I | 88.5 | Confident | 88.9 | Confident | 55 Ų | 55 | 31.9 Ų | 31.9 | 28% | 0.282 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 174.4 | -67.3 | 169.1 | 0 | 0 | 0 | 110.4 | W183 K316 M317 Q322 G323 I324 | W183-I320 HydrophobicContact CH2-CD1 3.85Å; W183-I320 HydrophobicContact CH2-CG1 3.34Å; W183-I320 HydrophobicContact CZ2-CD1 4.45Å; W183-I320 HydrophobicContact CZ2-CG1 4.34Å; W183-I320 HydrophobicContact CZ3-CD1 4.41Å; W183-I320 HydrophobicContact CZ3-CG1 3.49Å; W183-I320 VanDerWaalsContact CZ3-CG1 3.49Å; K316-I320 HydrophobicContact CG-CD1 3.99Å; K316-I320 WeakPolarHBondContact O-CG1 3.5Å; K316-I320 PolarHBondContact O-N 3.21Å; M317-I320 PolarHBondContact O-N 3.31Å; M317-I320 HydrophobicContact SD-CD1 4.38Å; I320-Q322 VanDerWaalsContact C-N 3.3Å; I320-Q322 PolarHBondContact O-N 2.86Å; I320-G323 PolarHBondContact O-N 3.47Å; I320-G323 VanDerWaalsContact O-N 3.15Å; I320-I324 HydrophobicContact CG2-CD1 3.87Å; I320-I324 HydrophobicContact CG2-CG1 4.47Å; I320-I324 WeakPolarHBondContact O-CG1 3.44Å; I320-I324 PolarHBondContact O-N 2.66Å |
| 321 | A | 88.6 | Confident | 87.9 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | M317 A318 G323 I324 Y325 F341 V344 V345 | M317-A321 WeakPolarHBondContact O-CB 3.34Å; M317-A321 PolarHBondContact O-N 2.9Å; A318-A321 PolarHBondContact O-N 3.16Å; A321-G323 PolarHBondContact O-N 3.2Å; A321-I324 PolarHBondContact O-N 3.33Å; A321-Y325 PolarHBondContact O-N 3.16Å; A321-F341 HydrophobicContact CB-CD1 3.79Å; A321-V344 HydrophobicContact CB-CG1 4.35Å; A321-V345 HydrophobicContact CB-CG2 3.84Å |
| 322 | Q | 89.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.6 | -175.8 | 65.5 | 38.6 | 0 | 0 | 111.9 | Y187 A190 H192 A318 G319 I320 I324 Y325 S326 V345 | Y187-Q322 HydrophobicContact CD2-CB 3.89Å; Y187-Q322 HydrophobicContact CD2-CG 3.69Å; Y187-Q322 HydrophobicContact CE2-CB 4.16Å; Y187-Q322 HydrophobicContact CE2-CG 3.78Å; A190-Q322 HydrophobicContact CB-CG 3.91Å; A190-Q322 PolarHBondContact O-NE2 3.03Å; H192-Q322 PolarHBondContact CE1-NE2 2.74Å; H192-Q322 PolarHBondContact ND1-NE2 3.3Å; A318-Q322 WeakPolarHBondContact O-CB 3.44Å; A318-Q322 PolarHBondContact O-N 3.24Å; G319-Q322 PolarHBondContact O-N 3.48Å; I320-Q322 VanDerWaalsContact C-N 3.3Å; I320-Q322 PolarHBondContact O-N 2.86Å; Q322-I324 VanDerWaalsContact C-N 3.35Å; Q322-I324 PolarHBondContact O-N 3.48Å; Q322-Y325 PolarHBondContact O-N 3.31Å; Q322-S326 WeakPolarHBondContact O-CB 3.41Å; Q322-S326 PolarHBondContact O-N 3.31Å; Q322-V345 HydrophobicContact CB-CG1 4.29Å; Q322-V345 HydrophobicContact CB-CG2 4.03Å |
| 323 | G | 86.9 | Confident | 85.1 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 22% | 0.216 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.4 | -31.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G319 I320 A321 R327 | G319-G323 PolarHBondContact O-N 2.8Å; I320-G323 PolarHBondContact O-N 3.47Å; I320-G323 VanDerWaalsContact O-N 3.15Å; A321-G323 PolarHBondContact O-N 3.2Å; G323-R327 WeakPolarHBondContact O-CG 3.44Å; G323-R327 PolarHBondContact O-N 3.08Å; G323-R327 PolarHBondContact O-NE 3.4Å; G323-R327 VanDerWaalsContact O-NE 3.11Å |
| 324 | I | 83.8 | Confident | 83.3 | Confident | 34 Ų | 34 | 47 Ų | 47 | 17% | 0.174 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68 | -48.5 | 171.6 | -67.8 | 166.2 | 0 | 0 | 0 | 109.9 | I320 A321 Q322 S326 R327 Y328 F341 | I320-I324 HydrophobicContact CG2-CD1 3.87Å; I320-I324 HydrophobicContact CG2-CG1 4.47Å; I320-I324 WeakPolarHBondContact O-CG1 3.44Å; I320-I324 PolarHBondContact O-N 2.66Å; A321-I324 PolarHBondContact O-N 3.33Å; Q322-I324 VanDerWaalsContact C-N 3.35Å; Q322-I324 PolarHBondContact O-N 3.48Å; I324-S326 PolarHBondContact O-N 2.82Å; I324-R327 PolarHBondContact O-N 3.36Å; I324-Y328 PolarHBondContact O-N 3.4Å; I324-Y328 VanDerWaalsContact O-N 3.13Å; I324-F341 HydrophobicContact CB-CG 4.35Å; I324-F341 HydrophobicContact CD1-CD1 4.26Å; I324-F341 HydrophobicContact CD1-CE1 3.88Å; I324-F341 HydrophobicContact CD1-CZ 4.05Å; I324-F341 HydrophobicContact CG2-CB 4.5Å; I324-F341 HydrophobicContact CG2-CD2 3.71Å; I324-F341 HydrophobicContact CG2-CE2 3.99Å; I324-F341 HydrophobicContact CG2-CG 3.98Å; I324-F341 HydrophobicContact CG2-CZ 4.49Å |
| 325 | Y | 84.4 | Confident | 81.8 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | -179 | -176.1 | -117.1 | 0 | 0 | 0 | 112.9 | H192 A321 Q322 R327 Y328 L329 A342 | H192-Y325 AromaticContact CE1-CD1 3.33Å; H192-Y325 WeakPolarHBondContact CE1-CD1 3.5Å; H192-Y325 AromaticContact CE1-CE1 3.26Å; H192-Y325 WeakPolarHBondContact CE1-CE1 3.33Å; H192-Y325 AromaticContact NE2-CD1 3.98Å; H192-Y325 AromaticContact NE2-CE1 3.42Å; H192-Y325 WeakPolarHBondContact NE2-CE1 3.32Å; A321-Y325 PolarHBondContact O-N 3.16Å; Q322-Y325 PolarHBondContact O-N 3.31Å; Y325-R327 VanDerWaalsContact C-N 3.33Å; Y325-R327 PolarHBondContact O-N 3.36Å; Y325-Y328 HydrophobicContact CD2-CD1 4.01Å; Y325-Y328 AromaticContact CE2-CD1 3.75Å; Y325-Y328 HydrophobicContact CE2-CD1 3.75Å; Y325-Y328 HydrophobicContact CE2-CE1 4.2Å; Y325-Y328 WeakPolarHBondContact O-CB 3.48Å; Y325-Y328 PolarHBondContact O-N 2.89Å; Y325-Y328 VanDerWaalsContact O-N 3.11Å; Y325-L329 HydrophobicContact CD1-CD1 4.18Å; Y325-L329 HydrophobicContact CD1-CG 4.47Å; Y325-L329 HydrophobicContact CE1-CD1 3.76Å; Y325-L329 HydrophobicContact CE1-CD2 4.3Å; Y325-L329 HydrophobicContact CE1-CG 4.08Å; Y325-L329 HydrophobicContact CE2-CD2 4.35Å; Y325-L329 HydrophobicContact CE2-CG 4.46Å; Y325-L329 PolarHBondContact O-N 3.24Å; Y325-A342 HydrophobicContact CD1-CB 4.09Å; Y325-A342 HydrophobicContact CD2-CB 3.79Å; Y325-A342 HydrophobicContact CE1-CB 3.73Å; Y325-A342 HydrophobicContact CE2-CB 3.45Å; Y325-A342 VanDerWaalsContact CE2-CB 3.45Å; Y325-A342 HydrophobicContact CG-CB 4.1Å |
| 326 | S | 84.4 | Confident | 80.1 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 174 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | Q322 I324 Y328 L329 L330 | Q322-S326 WeakPolarHBondContact O-CB 3.41Å; Q322-S326 PolarHBondContact O-N 3.31Å; I324-S326 PolarHBondContact O-N 2.82Å; S326-Y328 VanDerWaalsContact C-N 3.31Å; S326-Y328 PolarHBondContact O-N 3.27Å; S326-L329 PolarHBondContact O-N 2.87Å; S326-L330 WeakPolarHBondContact O-CG 3.43Å; S326-L330 PolarHBondContact O-N 3.29Å; S326-L330 VanDerWaalsContact O-N 3.1Å |
| 327 | R | 81.4 | Confident | 78.9 | Confident | 117 Ų | 117 | 61.1 Ų | 61.1 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 174.6 | -77.2 | -179.9 | -74.3 | 161.9 | -5.5 | 112.8 | G323 I324 Y325 L330 G331 N332 | G323-R327 WeakPolarHBondContact O-CG 3.44Å; G323-R327 PolarHBondContact O-N 3.08Å; G323-R327 PolarHBondContact O-NE 3.4Å; G323-R327 VanDerWaalsContact O-NE 3.11Å; I324-R327 PolarHBondContact O-N 3.36Å; Y325-R327 VanDerWaalsContact C-N 3.33Å; Y325-R327 PolarHBondContact O-N 3.36Å; R327-L330 CarbonylContact O-C 3.6Å; R327-L330 PolarHBondContact O-N 3.33Å; R327-G331 PolarHBondContact O-N 3.1Å; R327-N332 CarbonylContact O-C 3.6Å; R327-N332 PolarHBondContact O-N 2.83Å |
| 328 | Y | 81.3 | Confident | 78 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 171.5 | 167.8 | -97.4 | 0 | 0 | 0 | 112.1 | I324 Y325 S326 L330 G331 N333 F339 | I324-Y328 PolarHBondContact O-N 3.4Å; I324-Y328 VanDerWaalsContact O-N 3.13Å; Y325-Y328 HydrophobicContact CD2-CD1 4.01Å; Y325-Y328 AromaticContact CE2-CD1 3.75Å; Y325-Y328 HydrophobicContact CE2-CD1 3.75Å; Y325-Y328 HydrophobicContact CE2-CE1 4.2Å; Y325-Y328 WeakPolarHBondContact O-CB 3.48Å; Y325-Y328 PolarHBondContact O-N 2.89Å; Y325-Y328 VanDerWaalsContact O-N 3.11Å; S326-Y328 VanDerWaalsContact C-N 3.31Å; S326-Y328 PolarHBondContact O-N 3.27Å; Y328-L330 PolarHBondContact O-N 3.16Å; Y328-G331 PolarHBondContact O-N 3.26Å; Y328-N333 HydrophobicContact CD2-CB 4.39Å; Y328-F339 HydrophobicContact CD1-CB 3.95Å; Y328-F339 HydrophobicContact CD2-CB 4.21Å; Y328-F339 HydrophobicContact CE1-CB 3.51Å; Y328-F339 HydrophobicContact CE2-CB 3.79Å; Y328-F339 HydrophobicContact CG-CB 4.29Å; Y328-F339 VanDerWaalsContact CZ-CB 3.43Å |
| 329 | L | 81.3 | Confident | 77.1 | Confident | 88 Ų | 88 | 64.3 Ų | 64.3 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -30.4 | 176.3 | -66.9 | 177.6 | 0 | 0 | 0 | 112.8 | H192 Y325 S326 G331 | H192-L329 HydrophobicContact CB-CD1 4.3Å; Y325-L329 HydrophobicContact CD1-CD1 4.18Å; Y325-L329 HydrophobicContact CD1-CG 4.47Å; Y325-L329 HydrophobicContact CE1-CD1 3.76Å; Y325-L329 HydrophobicContact CE1-CD2 4.3Å; Y325-L329 HydrophobicContact CE1-CG 4.08Å; Y325-L329 HydrophobicContact CE2-CD2 4.35Å; Y325-L329 HydrophobicContact CE2-CG 4.46Å; Y325-L329 PolarHBondContact O-N 3.24Å; S326-L329 PolarHBondContact O-N 2.87Å; L329-G331 VanDerWaalsContact C-N 3.33Å |
| 330 | L | 79.3 | Confident | 76.2 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 64% | 0.644 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.4 | 176.5 | -64.3 | 172 | 0 | 0 | 0 | 113.8 | S326 R327 Y328 N332 | S326-L330 WeakPolarHBondContact O-CG 3.43Å; S326-L330 PolarHBondContact O-N 3.29Å; S326-L330 VanDerWaalsContact O-N 3.1Å; R327-L330 CarbonylContact O-C 3.6Å; R327-L330 PolarHBondContact O-N 3.33Å; Y328-L330 PolarHBondContact O-N 3.16Å; L330-N332 VanDerWaalsContact C-N 3.28Å; L330-N332 PolarHBondContact O-N 3.27Å |
| 331 | G | 71.7 | Confident | 75.8 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 58% | 0.577 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 16.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R327 Y328 L329 | R327-G331 PolarHBondContact O-N 3.1Å; Y328-G331 PolarHBondContact O-N 3.26Å; L329-G331 VanDerWaalsContact C-N 3.33Å |
| 332 | N | 66.4 | Low | 75.3 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | trans | -112.9 | 32.2 | -176 | -73.7 | -24.8 | 0 | 0 | 0 | 112.4 | R327 L330 | R327-N332 CarbonylContact O-C 3.6Å; R327-N332 PolarHBondContact O-N 2.83Å; L330-N332 VanDerWaalsContact C-N 3.28Å; L330-N332 PolarHBondContact O-N 3.27Å | ||
| 333 | N | 65.4 | Low | 74.9 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 32% | 0.316 | 41% | 0.405 | S | S | . | . | trans | -79.2 | 146.1 | -179.9 | 56.6 | -47.9 | 0 | 0 | 0 | 112.9 | Y328 S335 | Y328-N333 HydrophobicContact CD2-CB 4.39Å; N333-S335 PolarHBondContact ND2-O 2.71Å | ||
| 334 | S | 56.9 | Low | 74.9 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -91.4 | -4.5 | 176.9 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 335 | S | 63.3 | Low | 75.2 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 37% | 0.371 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -149.5 | 142.1 | -177.5 | 166.6 | 0 | 0 | 0 | 0 | 111.1 | N333 D337 S338 | N333-S335 PolarHBondContact ND2-O 2.71Å; S335-D337 PolarHBondContact O-N 3.19Å; S335-D337 PolarHBondContact OG-N 2.84Å; S335-S338 VanDerWaalsContact O-CB 3.31Å; S335-S338 WeakPolarHBondContact O-CB 3.18Å; S335-S338 PolarHBondContact O-N 2.99Å; S335-S338 PolarHBondContact O-OG 3.18Å |
| 336 | E | 60.4 | Low | 75.5 | Confident | 174 Ų | 174 | 76 Ų | 76 | 81% | 0.813 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -59.6 | -27.8 | 176 | -67.6 | -175.2 | 172 | 0 | 0 | 112.7 | S338 F339 | E336-S338 VanDerWaalsContact C-N 3.25Å; E336-S338 PolarHBondContact O-N 3.17Å; E336-F339 VanDerWaalsContact O-CD1 3.24Å; E336-F339 WeakPolarHBondContact O-CD1 3.5Å |
| 337 | D | 67.8 | Low | 75.8 | Confident | 97 Ų | 97 | 75.8 Ų | 75.8 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -81.3 | 0.4 | -179.2 | -66.7 | -33.7 | 0 | 0 | 0 | 113.8 | S335 F339 L340 | S335-D337 PolarHBondContact O-N 3.19Å; S335-D337 PolarHBondContact OG-N 2.84Å; D337-F339 PolarHBondContact O-N 2.81Å; D337-L340 HydrophobicContact CB-CD1 4.17Å; D337-L340 WeakPolarHBondContact O-CB 3.49Å; D337-L340 PolarHBondContact O-N 3.39Å |
| 338 | S | 72.4 | Confident | 76.3 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.028 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -61.6 | -21.3 | -174.2 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | S335 E336 L340 | S335-S338 VanDerWaalsContact O-CB 3.31Å; S335-S338 WeakPolarHBondContact O-CB 3.18Å; S335-S338 PolarHBondContact O-N 2.99Å; S335-S338 PolarHBondContact O-OG 3.18Å; E336-S338 VanDerWaalsContact C-N 3.25Å; E336-S338 PolarHBondContact O-N 3.17Å; S338-L340 VanDerWaalsContact C-N 3.32Å; S338-L340 PolarHBondContact O-N 2.69Å |
| 339 | F | 73.1 | Confident | 76.9 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -68.3 | -28 | 175.4 | 76.3 | -87.4 | 0 | 0 | 0 | 113.3 | Y328 E336 D337 F341 A342 | Y328-F339 HydrophobicContact CD1-CB 3.95Å; Y328-F339 HydrophobicContact CD2-CB 4.21Å; Y328-F339 HydrophobicContact CE1-CB 3.51Å; Y328-F339 HydrophobicContact CE2-CB 3.79Å; Y328-F339 HydrophobicContact CG-CB 4.29Å; Y328-F339 VanDerWaalsContact CZ-CB 3.43Å; E336-F339 VanDerWaalsContact O-CD1 3.24Å; E336-F339 WeakPolarHBondContact O-CD1 3.5Å; D337-F339 PolarHBondContact O-N 2.81Å; F339-F341 PolarHBondContact O-N 3.39Å; F339-A342 PolarHBondContact O-N 3.49Å |
| 340 | L | 74.1 | Confident | 77.4 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 44% | 0.44 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -66 | -23.3 | -177.9 | -67 | 171.6 | 0 | 0 | 0 | 112.3 | D337 S338 A342 N343 | D337-L340 HydrophobicContact CB-CD1 4.17Å; D337-L340 WeakPolarHBondContact O-CB 3.49Å; D337-L340 PolarHBondContact O-N 3.39Å; S338-L340 VanDerWaalsContact C-N 3.32Å; S338-L340 PolarHBondContact O-N 2.69Å; L340-A342 PolarHBondContact O-N 3.44Å; L340-N343 PolarHBondContact O-N 3.46Å |
| 341 | F | 79.1 | Confident | 78 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 26% | 0.263 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -65 | -19 | -179.9 | -74.6 | -92.5 | 0 | 0 | 0 | 113.5 | A321 I324 F339 N343 V344 | A321-F341 HydrophobicContact CB-CD1 3.79Å; I324-F341 HydrophobicContact CB-CG 4.35Å; I324-F341 HydrophobicContact CD1-CD1 4.26Å; I324-F341 HydrophobicContact CD1-CE1 3.88Å; I324-F341 HydrophobicContact CD1-CZ 4.05Å; I324-F341 HydrophobicContact CG2-CB 4.5Å; I324-F341 HydrophobicContact CG2-CD2 3.71Å; I324-F341 HydrophobicContact CG2-CE2 3.99Å; I324-F341 HydrophobicContact CG2-CG 3.98Å; I324-F341 HydrophobicContact CG2-CZ 4.49Å; F339-F341 PolarHBondContact O-N 3.39Å; F341-N343 PolarHBondContact O-N 2.92Å; F341-V344 WeakPolarHBondContact O-CB 3.42Å; F341-V344 PolarHBondContact O-N 2.67Å |
| 342 | A | 77.9 | Confident | 78.9 | Confident | 20 Ų | 20 | 58 Ų | 58 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -52.4 | -42.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y325 F339 L340 V344 | Y325-A342 HydrophobicContact CD1-CB 4.09Å; Y325-A342 HydrophobicContact CD2-CB 3.79Å; Y325-A342 HydrophobicContact CE1-CB 3.73Å; Y325-A342 HydrophobicContact CE2-CB 3.45Å; Y325-A342 VanDerWaalsContact CE2-CB 3.45Å; Y325-A342 HydrophobicContact CG-CB 4.1Å; F339-A342 PolarHBondContact O-N 3.49Å; L340-A342 PolarHBondContact O-N 3.44Å; A342-V344 VanDerWaalsContact C-N 3.26Å; A342-V344 PolarHBondContact O-N 3.44Å |
| 343 | N | 82.5 | Confident | 80.1 | Confident | 127 Ų | 127 | 53 Ų | 53 | 68% | 0.679 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -85.6 | 2.8 | -175.5 | -62.4 | -38.4 | 0 | 0 | 0 | 112.9 | L340 F341 P347 | L340-N343 PolarHBondContact O-N 3.46Å; F341-N343 PolarHBondContact O-N 2.92Å; N343-P347 WeakPolarHBondContact O-CG 3.41Å |
| 344 | V | 85.7 | Confident | 81.3 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -103.5 | -33.1 | -174.8 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | V268 A321 F341 A342 Q346 P347 L348 | V268-V344 HydrophobicContact CG1-CB 4.47Å; V268-V344 HydrophobicContact CG1-CG1 3.86Å; V268-V344 HydrophobicContact CG1-CG2 4.04Å; V268-V344 HydrophobicContact CG2-CG1 4.35Å; A321-V344 HydrophobicContact CB-CG1 4.35Å; F341-V344 WeakPolarHBondContact O-CB 3.42Å; F341-V344 PolarHBondContact O-N 2.67Å; A342-V344 VanDerWaalsContact C-N 3.26Å; A342-V344 PolarHBondContact O-N 3.44Å; V344-Q346 PolarHBondContact O-N 3.31Å; V344-P347 WeakPolarHBondContact O-CD 3.46Å; V344-L348 HydrophobicContact CG1-CD1 3.55Å; V344-L348 HydrophobicContact CG1-CG 3.99Å; V344-L348 WeakPolarHBondContact O-CG 3.48Å; V344-L348 PolarHBondContact O-N 3.2Å |
| 345 | V | 89.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -51.6 | -172.7 | -177.6 | 0 | 0 | 0 | 0 | 112 | Y187 I195 M198 A318 A321 Q322 L348 A349 | Y187-V345 HydrophobicContact CE2-CG1 4.19Å; I195-V345 HydrophobicContact CD1-CB 3.99Å; I195-V345 HydrophobicContact CD1-CG1 3.55Å; M198-V345 HydrophobicContact CG-CG1 4.32Å; A318-V345 HydrophobicContact CB-CG1 4.32Å; A321-V345 HydrophobicContact CB-CG2 3.84Å; Q322-V345 HydrophobicContact CB-CG1 4.29Å; Q322-V345 HydrophobicContact CB-CG2 4.03Å; V345-L348 PolarHBondContact O-N 2.98Å; V345-A349 WeakPolarHBondContact O-CB 3.26Å; V345-A349 PolarHBondContact O-N 2.95Å |
| 346 | Q | 91.1 | Very high | 83.9 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -49.6 | -177 | 174.2 | 175.7 | -5.4 | 0 | 0 | 112.8 | I195 V344 L348 A349 E350 | I195-Q346 HydrophobicContact CG2-CB 3.94Å; I195-Q346 HydrophobicContact CG2-CG 4.13Å; V344-Q346 PolarHBondContact O-N 3.31Å; Q346-L348 VanDerWaalsContact C-N 3.3Å; Q346-L348 PolarHBondContact O-N 3.4Å; Q346-A349 PolarHBondContact O-N 3.15Å; Q346-A349 VanDerWaalsContact O-N 3.15Å; Q346-E350 HydrophobicContact CG-CG 4.28Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.29Å; Q346-E350 PolarHBondContact NE2-OE1 3.35Å; Q346-E350 WeakPolarHBondContact O-CG 3.39Å; Q346-E350 PolarHBondContact O-N 3.07Å |
| 347 | P | 90.8 | Very high | 84.9 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 13% | 0.13 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -37 | 176.9 | -28.7 | 35.3 | 0 | 0 | 0 | 114.7 | P265 V268 N343 V344 T351 | P265-P347 HydrophobicContact CB-CB 4.03Å; P265-P347 HydrophobicContact CG-CB 4.27Å; V268-P347 HydrophobicContact CG2-CB 3.57Å; V268-P347 HydrophobicContact CG2-CG 3.94Å; N343-P347 WeakPolarHBondContact O-CG 3.41Å; V344-P347 WeakPolarHBondContact O-CD 3.46Å; P347-T351 WeakPolarHBondContact O-CB 3.21Å; P347-T351 PolarHBondContact O-N 2.92Å; P347-T351 PolarHBondContact O-OG1 2.99Å |
| 348 | L | 91.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -44.5 | 175.7 | -71.4 | 177.3 | 0 | 0 | 0 | 111.4 | W264 P265 F314 M317 A318 V344 V345 Q346 T351 G352 | W264-L348 HydrophobicContact CE3-CD2 4.46Å; W264-L348 HydrophobicContact CH2-CD2 3.96Å; W264-L348 HydrophobicContact CZ2-CD2 4.31Å; W264-L348 HydrophobicContact CZ3-CD2 4.03Å; P265-L348 HydrophobicContact CG-CD2 3.89Å; F314-L348 HydrophobicContact CD1-CB 4.37Å; F314-L348 HydrophobicContact CD1-CD2 3.8Å; F314-L348 HydrophobicContact CE1-CD2 3.82Å; M317-L348 HydrophobicContact CB-CD1 4Å; A318-L348 HydrophobicContact CB-CB 3.93Å; V344-L348 HydrophobicContact CG1-CD1 3.55Å; V344-L348 HydrophobicContact CG1-CG 3.99Å; V344-L348 WeakPolarHBondContact O-CG 3.48Å; V344-L348 PolarHBondContact O-N 3.2Å; V345-L348 PolarHBondContact O-N 2.98Å; Q346-L348 VanDerWaalsContact C-N 3.3Å; Q346-L348 PolarHBondContact O-N 3.4Å; L348-T351 PolarHBondContact O-N 3.38Å; L348-G352 PolarHBondContact O-N 3.49Å |
| 349 | A | 93.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A197 M198 V345 Q346 T351 G352 L353 | A197-A349 HydrophobicContact CB-CB 3.85Å; M198-A349 HydrophobicContact CB-CB 4.43Å; M198-A349 HydrophobicContact CG-CB 3.56Å; M198-A349 HydrophobicContact SD-CB 3.5Å; M198-A349 WeakPolarHBondContact SD-CB 3.34Å; V345-A349 WeakPolarHBondContact O-CB 3.26Å; V345-A349 PolarHBondContact O-N 2.95Å; Q346-A349 PolarHBondContact O-N 3.15Å; Q346-A349 VanDerWaalsContact O-N 3.15Å; A349-T351 VanDerWaalsContact C-N 3.34Å; A349-T351 PolarHBondContact O-N 3.43Å; A349-G352 PolarHBondContact O-N 2.9Å; A349-L353 WeakPolarHBondContact O-CB 3.44Å; A349-L353 PolarHBondContact O-N 3.31Å |
| 350 | E | 92.8 | Very high | 83.3 | Confident | 77 Ų | 77 | 53 Ų | 53 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.1 | -73.3 | 173.9 | 176.9 | 0 | 0 | 111.7 | A197 Q346 L353 Q354 | A197-E350 HydrophobicContact CB-CG 3.74Å; Q346-E350 HydrophobicContact CG-CG 4.28Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.29Å; Q346-E350 PolarHBondContact NE2-OE1 3.35Å; Q346-E350 WeakPolarHBondContact O-CG 3.39Å; Q346-E350 PolarHBondContact O-N 3.07Å; E350-L353 PolarHBondContact O-N 3.43Å; E350-Q354 VanDerWaalsContact O-CG 3.3Å; E350-Q354 WeakPolarHBondContact O-CG 3.39Å; E350-Q354 PolarHBondContact O-N 2.93Å |
| 351 | T | 90.7 | Very high | 81.7 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | F263 P265 F314 P347 L348 A349 L353 Q354 L355 | F263-T351 WeakPolarHBondContact O-CG2 3.34Å; P265-T351 WeakPolarHBondContact CG-OG1 3.45Å; F314-T351 HydrophobicContact CD1-CG2 4.09Å; F314-T351 HydrophobicContact CE1-CG2 3.63Å; F314-T351 HydrophobicContact CE2-CG2 4.16Å; F314-T351 HydrophobicContact CZ-CG2 3.67Å; P347-T351 WeakPolarHBondContact O-CB 3.21Å; P347-T351 PolarHBondContact O-N 2.92Å; P347-T351 PolarHBondContact O-OG1 2.99Å; L348-T351 PolarHBondContact O-N 3.38Å; A349-T351 VanDerWaalsContact C-N 3.34Å; A349-T351 PolarHBondContact O-N 3.43Å; T351-L353 VanDerWaalsContact C-N 3.3Å; T351-L353 PolarHBondContact O-N 2.93Å; T351-Q354 PolarHBondContact O-N 2.97Å; T351-L355 HydrophobicContact CG2-CD1 4.16Å; T351-L355 WeakPolarHBondContact O-CG 3.32Å; T351-L355 PolarHBondContact O-N 2.96Å |
| 352 | G | 92.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L348 A349 L355 S356 | L348-G352 PolarHBondContact O-N 3.49Å; A349-G352 PolarHBondContact O-N 2.9Å; G352-L355 PolarHBondContact O-N 2.99Å; G352-S356 PolarHBondContact O-N 3.48Å |
| 353 | L | 91.8 | Very high | 77.8 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.3 | -32 | 176.7 | -174.7 | 65 | 0 | 0 | 0 | 113.3 | Q200 A349 E350 T351 S356 K357 | Q200-L353 HydrophobicContact CB-CD1 4.19Å; Q200-L353 HydrophobicContact CB-CD2 3.98Å; A349-L353 WeakPolarHBondContact O-CB 3.44Å; A349-L353 PolarHBondContact O-N 3.31Å; E350-L353 PolarHBondContact O-N 3.43Å; T351-L353 VanDerWaalsContact C-N 3.3Å; T351-L353 PolarHBondContact O-N 2.93Å; L353-S356 PolarHBondContact O-OG 3.18Å; L353-K357 WeakPolarHBondContact O-CG 3.42Å; L353-K357 PolarHBondContact O-N 2.96Å |
| 354 | Q | 89.7 | Confident | 75.7 | Confident | 132 Ų | 132 | 52 Ų | 52 | 62% | 0.617 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.1 | -44 | 172.2 | -74.9 | 174 | 6.6 | 0 | 0 | 111 | E350 T351 S356 K357 R358 | E350-Q354 VanDerWaalsContact O-CG 3.3Å; E350-Q354 WeakPolarHBondContact O-CG 3.39Å; E350-Q354 PolarHBondContact O-N 2.93Å; T351-Q354 PolarHBondContact O-N 2.97Å; Q354-S356 VanDerWaalsContact C-N 3.3Å; Q354-S356 PolarHBondContact O-N 3.06Å; Q354-K357 PolarHBondContact O-N 2.94Å; Q354-R358 PolarHBondContact O-N 3.19Å; Q354-R358 VanDerWaalsContact O-N 3.13Å |
| 355 | L | 87.9 | Confident | 73.1 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -35.5 | 177.4 | -70.3 | 170.5 | 0 | 0 | 0 | 112 | F263 L310 F314 T351 G352 K357 R358 | F263-L355 HydrophobicContact CB-CD1 4.02Å; F263-L355 HydrophobicContact CB-CD2 4.48Å; F263-L355 HydrophobicContact CD1-CD2 4.05Å; F263-L355 HydrophobicContact CD2-CD1 4.23Å; F263-L355 HydrophobicContact CD2-CD2 4.23Å; F263-L355 HydrophobicContact CE1-CD2 4.41Å; F263-L355 HydrophobicContact CG-CD1 4.16Å; F263-L355 HydrophobicContact CG-CD2 3.97Å; L310-L355 HydrophobicContact CB-CD1 4.28Å; L310-L355 HydrophobicContact CD1-CD2 4.47Å; F314-L355 HydrophobicContact CD2-CD1 3.56Å; F314-L355 HydrophobicContact CE2-CD1 3.37Å; F314-L355 HydrophobicContact CZ-CD1 4.29Å; T351-L355 HydrophobicContact CG2-CD1 4.16Å; T351-L355 WeakPolarHBondContact O-CG 3.32Å; T351-L355 PolarHBondContact O-N 2.96Å; G352-L355 PolarHBondContact O-N 2.99Å; L355-K357 PolarHBondContact O-N 2.97Å; L355-R358 WeakPolarHBondContact O-CB 3.36Å; L355-R358 PolarHBondContact O-N 3.35Å |
| 356 | S | 87.5 | Confident | 70.3 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -28.2 | 176.6 | 81.6 | 0 | 0 | 0 | 0 | 113.5 | W204 G352 L353 Q354 | W204-S356 VanDerWaalsContact CZ2-O 3.32Å; W204-S356 WeakPolarHBondContact CZ2-O 3.46Å; G352-S356 PolarHBondContact O-N 3.48Å; L353-S356 PolarHBondContact O-OG 3.18Å; Q354-S356 VanDerWaalsContact C-N 3.3Å; Q354-S356 PolarHBondContact O-N 3.06Å |
| 357 | K | 81.5 | Confident | 67.7 | Low | 141 Ų | 141 | 64.6 Ų | 64.6 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -93.6 | -7.7 | 178.2 | -64.1 | 173.2 | -174.2 | 175.4 | 0 | 113.5 | L353 Q354 L355 | L353-K357 WeakPolarHBondContact O-CG 3.42Å; L353-K357 PolarHBondContact O-N 2.96Å; Q354-K357 PolarHBondContact O-N 2.94Å; L355-K357 PolarHBondContact O-N 2.97Å |
| 358 | R | 75.3 | Confident | 65 | Low | 112 Ų | 112 | 66.2 Ų | 66.2 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -71.2 | 133.2 | -177.8 | -171.3 | 176.1 | -180 | -171.4 | -1.9 | 109.4 | N307 Q354 L355 F360 | N307-R358 PolarHBondContact ND2-O 2.84Å; Q354-R358 PolarHBondContact O-N 3.19Å; Q354-R358 VanDerWaalsContact O-N 3.13Å; L355-R358 WeakPolarHBondContact O-CB 3.36Å; L355-R358 PolarHBondContact O-N 3.35Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 PolarHBondContact O-N 2.91Å |
| 359 | T | 54.4 | Low | 62.2 | Low | 143 Ų | 143 | 72.3 Ų | 72.3 | 88% | 0.877 | 39% | 0.386 | S | S | * | . | trans | -74.2 | 89.9 | 163.5 | -39.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 360 | F | 48.8 | Very low | 59.7 | Low | 29 Ų | 29 | 76.4 Ų | 76.4 | 13% | 0.127 | 41% | 0.411 | C | S | . | . | trans | -89.8 | 115.2 | 176.2 | -167.7 | -86.1 | 0 | 0 | 0 | 108.3 | M286 W306 N307 R358 T362 | M286-F360 HydrophobicContact CE-CD2 4.4Å; M286-F360 HydrophobicContact CE-CE1 4.3Å; M286-F360 HydrophobicContact CE-CE2 3.21Å; M286-F360 HydrophobicContact CE-CZ 3.15Å; W306-F360 AromaticContact CD1-CD1 3.3Å; W306-F360 AromaticContact CD1-CE1 3.35Å; W306-F360 AromaticContact CD1-CG 3.84Å; W306-F360 AromaticContact CD1-CZ 3.96Å; W306-F360 HydrophobicContact CG-CD1 4.23Å; W306-F360 HydrophobicContact CG-CE1 4.3Å; W306-F360 AromaticContact NE1-CE1 3.69Å; W306-F360 AromaticContact NE1-CZ 3.86Å; N307-F360 WeakPolarHBondContact ND2-CB 3.17Å; N307-F360 WeakPolarHBondContact OD1-CB 3.32Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 PolarHBondContact O-N 2.91Å; F360-T362 HydrophobicContact CD1-CG2 3.71Å; F360-T362 HydrophobicContact CE1-CG2 3.54Å; F360-T362 PolarHBondContact O-N 3.05Å | ||
| 361 | S | 40.7 | Very low | 57.3 | Low | 69 Ų | 69 | 75.6 Ų | 75.6 | 48% | 0.483 | 42% | 0.423 | S | S | . | . | trans | -89 | 99.9 | 172.6 | -172.8 | 0 | 0 | 0 | 0 | 108 | V363 | S361-V363 PolarHBondContact O-N 2.88Å; S361-V363 WeakPolarHBondContact OG-CB 3.33Å; S361-V363 WeakPolarHBondContact OG-CG2 3.49Å; S361-V363 PolarHBondContact OG-N 3.44Å; S361-V363 PolarHBondContact OG-O 3.17Å | ||
| 362 | T | 41.1 | Very low | 55.4 | Low | 22 Ų | 22 | 80.5 Ų | 80.5 | 14% | 0.135 | 45% | 0.445 | C | S | . | . | trans | -71 | -8.1 | 158.7 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | I302 L303 W306 F360 L364 | I302-T362 WeakPolarHBondContact CG2-OG1 3.25Å; L303-T362 HydrophobicContact CB-CG2 4.05Å; L303-T362 PolarHBondContact N-OG1 3Å; L303-T362 PolarHBondContact O-OG1 2.91Å; W306-T362 HydrophobicContact CB-CG2 3.83Å; W306-T362 HydrophobicContact CG-CG2 4.07Å; F360-T362 HydrophobicContact CD1-CG2 3.71Å; F360-T362 HydrophobicContact CE1-CG2 3.54Å; F360-T362 PolarHBondContact O-N 3.05Å; T362-L364 PolarHBondContact O-N 3.25Å | ||
| 363 | V | 33.9 | Very low | 54 | Low | 53 Ų | 53 | 87 Ų | 87 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -66 | 121.7 | 163.9 | -148.3 | 0 | 0 | 0 | 0 | 106 | I302 S361 Q366 | I302-V363 HydrophobicContact CD1-CB 4.5Å; I302-V363 HydrophobicContact CD1-CG1 4.01Å; I302-V363 HydrophobicContact CD1-CG2 4.35Å; S361-V363 PolarHBondContact O-N 2.88Å; S361-V363 WeakPolarHBondContact OG-CB 3.33Å; S361-V363 WeakPolarHBondContact OG-CG2 3.49Å; S361-V363 PolarHBondContact OG-N 3.44Å; S361-V363 PolarHBondContact OG-O 3.17Å; V363-Q366 HydrophobicContact CG1-CG 4.46Å |
| 364 | L | 39.1 | Very low | 53.4 | Low | 126 Ų | 126 | 88.1 Ų | 88.1 | 66% | 0.66 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -36.5 | 150.8 | 144 | -77.3 | 159.7 | 0 | 0 | 0 | 108 | T362 Q366 | T362-L364 PolarHBondContact O-N 3.25Å; L364-Q366 WeakPolarHBondContact O-CA 3.43Å; L364-Q366 PolarHBondContact O-N 3.37Å |
| 365 | P | 31.4 | Very low | 52.9 | Low | 80 Ų | 80 | 84.6 Ų | 84.6 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -41.4 | 121.5 | 168.9 | 20.3 | -32.2 | 0 | 0 | 0 | 107.7 | I367 V375 | P365-I367 PolarHBondContact O-N 3.34Å; P365-V375 HydrophobicContact CB-CG1 3.91Å; P365-V375 HydrophobicContact CG-CG1 3.9Å |
| 366 | Q | 31 | Very low | 52.5 | Low | 143 Ų | 143 | 85.9 Ų | 85.9 | 67% | 0.668 | 48% | 0.476 | S | S | * | . | trans | -35.7 | 136.8 | -162 | -74.5 | 175.2 | -32.3 | 0 | 0 | 110.2 | V363 L364 D368 | V363-Q366 HydrophobicContact CG1-CG 4.46Å; L364-Q366 WeakPolarHBondContact O-CA 3.43Å; L364-Q366 PolarHBondContact O-N 3.37Å; Q366-D368 PolarHBondContact O-N 3.48Å | ||
| 367 | I | 36.6 | Very low | 52.3 | Low | 153 Ų | 153 | 87.9 Ų | 87.9 | 79% | 0.785 | 49% | 0.488 | S | S | * | . | trans | -58 | 96.1 | 145.7 | -65.6 | 174.7 | 0 | 0 | 0 | 102.8 | P365 S369 | P365-I367 PolarHBondContact O-N 3.34Å; I367-S369 PolarHBondContact O-N 3.25Å; I367-S369 VanDerWaalsContact O-N 3.17Å | ||
| 368 | D | 33.9 | Very low | 52.4 | Low | 55 Ų | 55 | 90.5 Ų | 90.5 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | trans | -54 | 126 | 175 | -173.5 | -1.6 | 0 | 0 | 0 | 105 | Q366 T370 G371 | Q366-D368 PolarHBondContact O-N 3.48Å; D368-T370 WeakPolarHBondContact CB-OG1 3.38Å; D368-T370 VanDerWaalsContact CG-CG2 3.41Å; D368-T370 PolarHBondContact O-N 3.48Å; D368-T370 WeakPolarHBondContact OD1-CG2 3.4Å; D368-T370 PolarHBondContact OD1-N 3.27Å; D368-T370 PolarHBondContact OD1-OG1 3.11Å; D368-T370 WeakPolarHBondContact OD2-CB 3.36Å; D368-T370 WeakPolarHBondContact OD2-CG2 3.43Å; D368-T370 PolarHBondContact OD2-OG1 3.48Å; D368-G371 PolarHBondContact O-N 3.04Å | ||
| 369 | S | 33 | Very low | 52.8 | Low | 128 Ų | 128 | 89.8 Ų | 89.8 | 90% | 0.895 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -0.5 | 171.1 | 43.4 | 0 | 0 | 0 | 0 | 112.5 | I367 G371 | I367-S369 PolarHBondContact O-N 3.25Å; I367-S369 VanDerWaalsContact O-N 3.17Å; S369-G371 VanDerWaalsContact C-N 3.33Å |
| 370 | T | 40.3 | Very low | 54.5 | Low | 87 Ų | 87 | 83 Ų | 83 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10 | 167.1 | 66.1 | 0 | 0 | 0 | 0 | 115.1 | D368 | D368-T370 WeakPolarHBondContact CB-OG1 3.38Å; D368-T370 VanDerWaalsContact CG-CG2 3.41Å; D368-T370 PolarHBondContact O-N 3.48Å; D368-T370 WeakPolarHBondContact OD1-CG2 3.4Å; D368-T370 PolarHBondContact OD1-N 3.27Å; D368-T370 PolarHBondContact OD1-OG1 3.11Å; D368-T370 WeakPolarHBondContact OD2-CB 3.36Å; D368-T370 WeakPolarHBondContact OD2-CG2 3.43Å; D368-T370 PolarHBondContact OD2-OG1 3.48Å |
| 371 | G | 41.7 | Very low | 56.4 | Low | 59 Ų | 59 | 87.3 Ų | 87.3 | 61% | 0.608 | 47% | 0.473 | S | S | * | . | trans | 76.2 | 29.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D368 S369 L373 | D368-G371 PolarHBondContact O-N 3.04Å; S369-G371 VanDerWaalsContact C-N 3.33Å; G371-L373 PolarHBondContact O-N 3.04Å | ||
| 372 | Q | 50.9 | Low | 58.9 | Low | 123 Ų | 123 | 88.5 Ų | 88.5 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | trans | -76.7 | 115 | 173.5 | -70.2 | -175.5 | 7.5 | 0 | 0 | 111.4 | F374 | Q372-F374 PolarHBondContact O-N 3.28Š| ||
| 373 | L | 62.8 | Low | 61.5 | Low | 136 Ų | 136 | 88.5 Ų | 88.5 | 71% | 0.712 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -62.2 | -22.6 | -177.8 | -81.2 | 137.7 | 0 | 0 | 0 | 114.9 | G371 | G371-L373 PolarHBondContact O-N 3.04Š|
| 374 | F | 79.9 | Confident | 64.5 | Low | 40 Ų | 40 | 86.7 Ų | 86.7 | 18% | 0.175 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -138.4 | 115.5 | -177.6 | -54.8 | -72.6 | 0 | 0 | 0 | 109.5 | Q372 V448 L687 L690 K691 H694 | Q372-F374 PolarHBondContact O-N 3.28Å; F374-V448 HydrophobicContact CB-CG1 4.47Å; F374-L687 HydrophobicContact CD2-CD2 4.33Å; F374-L687 HydrophobicContact CE2-CD2 4.13Å; F374-L690 HydrophobicContact CB-CB 4.27Å; F374-L690 HydrophobicContact CB-CD1 4.47Å; F374-L690 HydrophobicContact CD1-CB 4.3Å; F374-L690 HydrophobicContact CD2-CB 3.41Å; F374-L690 VanDerWaalsContact CD2-CB 3.41Å; F374-L690 HydrophobicContact CD2-CD1 3.91Å; F374-L690 HydrophobicContact CD2-CG 4.31Å; F374-L690 HydrophobicContact CE2-CB 3.76Å; F374-L690 HydrophobicContact CG-CB 3.72Å; F374-L690 HydrophobicContact CG-CD1 4.49Å; F374-L690 HydrophobicContact CZ-CB 4.36Å; F374-K691 HydrophobicContact CE1-CB 4.17Å; F374-K691 HydrophobicContact CE1-CD 4.31Å; F374-K691 HydrophobicContact CZ-CB 3.71Å; F374-K691 HydrophobicContact CZ-CD 4.37Å; F374-H694 HydrophobicContact CD1-CB 3.96Å; F374-H694 HydrophobicContact CE1-CB 4.12Å |
| 375 | V | 78.8 | Confident | 67.3 | Low | 59 Ų | 59 | 84.9 Ų | 84.9 | 36% | 0.358 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 128.3 | -175.5 | -178 | 0 | 0 | 0 | 0 | 110 | P365 | P365-V375 HydrophobicContact CB-CG1 3.91Å; P365-V375 HydrophobicContact CG-CG1 3.9Å |
| 376 | Q | 81.1 | Confident | 70.5 | Confident | 36 Ų | 36 | 86.2 Ų | 86.2 | 17% | 0.168 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 146.2 | 174 | -158 | 175.2 | 21.2 | 0 | 0 | 110.3 | G380 D449 L452 | Q376-G380 PolarHBondContact NE2-O 2.94Å; Q376-G380 VanDerWaalsContact NE2-O 3.13Å; Q376-D449 WeakPolarHBondContact CG-OD1 3.38Å; Q376-L452 HydrophobicContact CG-CD1 4.23Å |
| 377 | T | 82.3 | Confident | 73.7 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 157.3 | 171.5 | 71.5 | 0 | 0 | 0 | 0 | 110.2 | K379 G380 Q381 D449 | T377-K379 VanDerWaalsContact C-N 3.26Å; T377-K379 PolarHBondContact O-N 3Å; T377-G380 PolarHBondContact O-N 3.47Å; T377-G380 VanDerWaalsContact O-N 3.11Å; T377-G380 PolarHBondContact OG1-N 3.02Å; T377-Q381 PolarHBondContact O-N 3.46Å; T377-D449 VanDerWaalsContact CG2-OD2 3.26Å; T377-D449 WeakPolarHBondContact CG2-OD2 3.25Å; T377-D449 PolarHBondContact N-OD1 3.34Å; T377-D449 PolarHBondContact OG1-OD1 3.04Å; T377-D449 VanDerWaalsContact OG1-OD1 3.13Å; T377-D449 PolarHBondContact OG1-OD2 2.94Å |
| 378 | R | 83.4 | Confident | 76.6 | Confident | 195 Ų | 195 | 76.8 Ų | 76.8 | 74% | 0.736 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -54.3 | -45.4 | 174.2 | 178.2 | -179.8 | 171 | 171.7 | 2.8 | 111.5 | Q381 E382 | R378-Q381 PolarHBondContact O-N 2.92Å; R378-E382 WeakPolarHBondContact CG-OE1 3.41Å; R378-E382 IonicContact CZ-OE1 3.79Å; R378-E382 IonicContact NE-OE1 2.93Å; R378-E382 PolarHBondContact NE-OE1 3.36Å; R378-E382 IonicContact NH2-OE1 3.34Å; R378-E382 WeakPolarHBondContact O-CG 3.3Å; R378-E382 PolarHBondContact O-N 3.35Å |
| 379 | K | 84.4 | Confident | 79.6 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 43% | 0.426 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.4 | -175.2 | 175.3 | 175 | -176.8 | 0 | 111.2 | T377 Q381 E382 V383 S443 L445 | T377-K379 VanDerWaalsContact C-N 3.26Å; T377-K379 PolarHBondContact O-N 3Å; K379-Q381 VanDerWaalsContact C-N 3.34Å; K379-Q381 PolarHBondContact O-N 3.16Å; K379-E382 PolarHBondContact O-N 2.8Å; K379-V383 HydrophobicContact CG-CG2 4.45Å; K379-V383 WeakPolarHBondContact O-CG2 3.36Å; K379-V383 PolarHBondContact O-N 3.26Å; K379-S443 WeakPolarHBondContact CE-O 3.49Å; K379-S443 PolarHBondContact NZ-O 3.35Å; K379-L445 HydrophobicContact CG-CD2 4.11Å |
| 380 | G | 88.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.6 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q376 T377 V383 L384 | Q376-G380 PolarHBondContact NE2-O 2.94Å; Q376-G380 VanDerWaalsContact NE2-O 3.13Å; T377-G380 PolarHBondContact O-N 3.47Å; T377-G380 VanDerWaalsContact O-N 3.11Å; T377-G380 PolarHBondContact OG1-N 3.02Å; G380-V383 PolarHBondContact O-N 3.25Å; G380-L384 VanDerWaalsContact O-CB 3.24Å; G380-L384 WeakPolarHBondContact O-CB 3.32Å; G380-L384 PolarHBondContact O-N 3.47Å |
| 381 | Q | 90.3 | Very high | 85.5 | Confident | 119 Ų | 119 | 68.9 Ų | 68.9 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 178.7 | -170 | 177.9 | 8.9 | 0 | 0 | 112.5 | T377 R378 K379 T385 | T377-Q381 PolarHBondContact O-N 3.46Å; R378-Q381 PolarHBondContact O-N 2.92Å; K379-Q381 VanDerWaalsContact C-N 3.34Å; K379-Q381 PolarHBondContact O-N 3.16Å; Q381-T385 WeakPolarHBondContact O-CB 3.15Å; Q381-T385 PolarHBondContact O-N 3.12Å; Q381-T385 PolarHBondContact O-OG1 3.01Å |
| 382 | E | 93.3 | Very high | 88.1 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.7 | -73.1 | 172.7 | -172 | 0 | 0 | 111.2 | R378 K379 T385 K386 | R378-E382 WeakPolarHBondContact CG-OE1 3.41Å; R378-E382 IonicContact CZ-OE1 3.79Å; R378-E382 IonicContact NE-OE1 2.93Å; R378-E382 PolarHBondContact NE-OE1 3.36Å; R378-E382 IonicContact NH2-OE1 3.34Å; R378-E382 WeakPolarHBondContact O-CG 3.3Å; R378-E382 PolarHBondContact O-N 3.35Å; K379-E382 PolarHBondContact O-N 2.8Å; E382-T385 PolarHBondContact O-N 2.89Å; E382-K386 PolarHBondContact O-N 3.35Å; E382-K386 VanDerWaalsContact O-N 3.08Å |
| 383 | V | 94.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 72.4 Ų | 72.4 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | K379 G380 T385 K386 V387 L434 L437 L445 I453 | K379-V383 HydrophobicContact CG-CG2 4.45Å; K379-V383 WeakPolarHBondContact O-CG2 3.36Å; K379-V383 PolarHBondContact O-N 3.26Å; G380-V383 PolarHBondContact O-N 3.25Å; V383-T385 VanDerWaalsContact C-N 3.26Å; V383-T385 PolarHBondContact O-N 3.49Å; V383-K386 PolarHBondContact O-N 2.97Å; V383-K386 VanDerWaalsContact O-N 3.16Å; V383-V387 HydrophobicContact CG1-CG2 4.25Å; V383-V387 WeakPolarHBondContact O-CG2 3.47Å; V383-V387 PolarHBondContact O-N 3.48Å; V383-L434 HydrophobicContact CG1-CD2 4.16Å; V383-L437 HydrophobicContact CG1-CD1 4.24Å; V383-L437 HydrophobicContact CG1-CD2 4.1Å; V383-L445 HydrophobicContact CG1-CD1 4.27Å; V383-L445 HydrophobicContact CG2-CD2 4.31Å; V383-I453 HydrophobicContact CB-CD1 4.18Å; V383-I453 HydrophobicContact CG1-CD1 3.68Å |
| 384 | L | 97.5 | Very high | 92 | Very high | 15 Ų | 15 | 68.3 Ų | 68.3 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.9 | -40.9 | 175.7 | 177 | 61.6 | 0 | 0 | 0 | 111.6 | G380 V387 K388 L452 I453 E456 | G380-L384 VanDerWaalsContact O-CB 3.24Å; G380-L384 WeakPolarHBondContact O-CB 3.32Å; G380-L384 PolarHBondContact O-N 3.47Å; L384-V387 PolarHBondContact O-N 3.05Å; L384-K388 HydrophobicContact CD1-CD 4.49Å; L384-K388 HydrophobicContact CD1-CG 4.4Å; L384-K388 HydrophobicContact CG-CD 4.41Å; L384-K388 WeakPolarHBondContact O-CG 3.35Å; L384-K388 PolarHBondContact O-N 3.11Å; L384-L452 HydrophobicContact CD1-CB 4.32Å; L384-L452 HydrophobicContact CD2-CB 3.93Å; L384-L452 HydrophobicContact CD2-CD1 4.35Å; L384-I453 HydrophobicContact CB-CG1 4.11Å; L384-I453 HydrophobicContact CD1-CG1 4.04Å; L384-E456 HydrophobicContact CD1-CG 3.78Å |
| 385 | T | 97.3 | Very high | 92.9 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | Q381 E382 V383 K388 H389 | Q381-T385 WeakPolarHBondContact O-CB 3.15Å; Q381-T385 PolarHBondContact O-N 3.12Å; Q381-T385 PolarHBondContact O-OG1 3.01Å; E382-T385 PolarHBondContact O-N 2.89Å; V383-T385 VanDerWaalsContact C-N 3.26Å; V383-T385 PolarHBondContact O-N 3.49Å; T385-K388 PolarHBondContact O-N 3.04Å; T385-H389 WeakPolarHBondContact O-CB 3.33Å; T385-H389 PolarHBondContact O-N 2.91Å |
| 386 | K | 97.9 | Very high | 93.6 | Very high | 108 Ų | 108 | 67 Ų | 67 | 47% | 0.47 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.6 | -70.8 | -178.5 | 176.1 | -174 | 0 | 112.1 | E382 V383 K388 H389 F390 L434 | E382-K386 PolarHBondContact O-N 3.35Å; E382-K386 VanDerWaalsContact O-N 3.08Å; V383-K386 PolarHBondContact O-N 2.97Å; V383-K386 VanDerWaalsContact O-N 3.16Å; K386-K388 PolarHBondContact O-N 3.45Å; K386-H389 WeakPolarHBondContact O-CB 3.4Å; K386-H389 PolarHBondContact O-N 2.98Å; K386-H389 VanDerWaalsContact O-N 3.16Å; K386-F390 WeakPolarHBondContact O-CB 3.45Å; K386-F390 PolarHBondContact O-N 3.32Å; K386-L434 HydrophobicContact CB-CD1 4.3Å; K386-L434 HydrophobicContact CB-CD2 3.91Å; K386-L434 HydrophobicContact CD-CD2 4.36Å |
| 387 | V | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 111 | V383 L384 H389 F390 M391 L434 L437 I453 E456 F467 | V383-V387 HydrophobicContact CG1-CG2 4.25Å; V383-V387 WeakPolarHBondContact O-CG2 3.47Å; V383-V387 PolarHBondContact O-N 3.48Å; L384-V387 PolarHBondContact O-N 3.05Å; V387-H389 VanDerWaalsContact C-N 3.28Å; V387-H389 PolarHBondContact O-N 3.29Å; V387-F390 PolarHBondContact O-N 3.19Å; V387-M391 HydrophobicContact CG1-CG 4.15Å; V387-M391 VanDerWaalsContact O-CB 3.31Å; V387-M391 WeakPolarHBondContact O-CB 3.47Å; V387-M391 WeakPolarHBondContact O-CG 3.24Å; V387-M391 PolarHBondContact O-N 3.41Å; V387-L434 HydrophobicContact CG2-CD1 4.46Å; V387-L434 HydrophobicContact CG2-CD2 4.04Å; V387-L437 HydrophobicContact CG2-CD1 3.89Å; V387-I453 HydrophobicContact CG1-CG2 4.33Å; V387-I453 HydrophobicContact CG2-CG2 4.04Å; V387-E456 HydrophobicContact CG1-CB 4.29Å; V387-F467 HydrophobicContact CG1-CE2 4.06Å; V387-F467 HydrophobicContact CG1-CZ 4.18Å |
| 388 | K | 97.8 | Very high | 95 | Very high | 98 Ų | 98 | 67.3 Ų | 67.3 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -40.4 | 175.4 | -76.4 | 179.2 | 173.3 | 179.8 | 0 | 112.1 | L384 T385 K386 K392 E456 | L384-K388 HydrophobicContact CD1-CD 4.49Å; L384-K388 HydrophobicContact CD1-CG 4.4Å; L384-K388 HydrophobicContact CG-CD 4.41Å; L384-K388 WeakPolarHBondContact O-CG 3.35Å; L384-K388 PolarHBondContact O-N 3.11Å; T385-K388 PolarHBondContact O-N 3.04Å; K386-K388 PolarHBondContact O-N 3.45Å; K388-K392 WeakPolarHBondContact O-CB 3.12Å; K388-K392 PolarHBondContact O-N 2.96Å; K388-K392 VanDerWaalsContact O-N 3.1Å; K388-E456 VanDerWaalsContact CE-CD 3.42Å; K388-E456 WeakPolarHBondContact CE-OE1 3.31Å; K388-E456 HydrophobicContact CG-CG 3.87Å; K388-E456 IonicContact NZ-OE1 3.65Å |
| 389 | H | 97.9 | Very high | 95.5 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 46% | 0.458 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65 | -49.8 | 176.7 | -166.3 | 73.1 | 0 | 0 | 0 | 111.6 | T385 K386 V387 M391 K392 Q393 | T385-H389 WeakPolarHBondContact O-CB 3.33Å; T385-H389 PolarHBondContact O-N 2.91Å; K386-H389 WeakPolarHBondContact O-CB 3.4Å; K386-H389 PolarHBondContact O-N 2.98Å; K386-H389 VanDerWaalsContact O-N 3.16Å; V387-H389 VanDerWaalsContact C-N 3.28Å; V387-H389 PolarHBondContact O-N 3.29Å; H389-M391 VanDerWaalsContact C-N 3.34Å; H389-M391 PolarHBondContact O-N 2.95Å; H389-K392 PolarHBondContact O-N 3.44Å; H389-K392 VanDerWaalsContact O-N 3.16Å; H389-Q393 PolarHBondContact CD2-OE1 3.45Å; H389-Q393 VanDerWaalsContact CD2-OE1 3.31Å; H389-Q393 PolarHBondContact CE1-NE2 3Å; H389-Q393 PolarHBondContact NE2-NE2 2.99Å; H389-Q393 PolarHBondContact NE2-OE1 3.16Å; H389-Q393 WeakPolarHBondContact O-CB 3.36Å; H389-Q393 WeakPolarHBondContact O-CG 3.19Å; H389-Q393 PolarHBondContact O-N 3.07Å |
| 390 | F | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 178.2 | -164.7 | -78.6 | 0 | 0 | 0 | 111.7 | K386 V387 K392 Q393 H394 I395 L425 M428 A429 L434 V466 F467 | K386-F390 WeakPolarHBondContact O-CB 3.45Å; K386-F390 PolarHBondContact O-N 3.32Å; V387-F390 PolarHBondContact O-N 3.19Å; F390-K392 PolarHBondContact O-N 3.06Å; F390-Q393 PolarHBondContact O-N 3.49Å; F390-H394 HydrophobicContact CD1-CB 4.23Å; F390-H394 AromaticContact CD2-CD2 3.63Å; F390-H394 HydrophobicContact CE1-CB 4.01Å; F390-H394 AromaticContact CE2-CD2 3.71Å; F390-H394 AromaticContact CG-CD2 3.97Å; F390-H394 HydrophobicContact CZ-CB 4.26Å; F390-H394 WeakPolarHBondContact O-CB 3.38Å; F390-H394 PolarHBondContact O-N 3.43Å; F390-I395 HydrophobicContact CD1-CD1 3.71Å; F390-I395 HydrophobicContact CD1-CG1 3.89Å; F390-I395 HydrophobicContact CE1-CD1 3.92Å; F390-I395 HydrophobicContact CE1-CG1 3.86Å; F390-I395 PolarHBondContact O-N 3.33Å; F390-L425 HydrophobicContact CE1-CD2 4.34Å; F390-L425 HydrophobicContact CZ-CD2 4.49Å; F390-M428 HydrophobicContact CE2-CB 3.96Å; F390-M428 HydrophobicContact CZ-CB 3.91Å; F390-A429 HydrophobicContact CE1-CB 4.48Å; F390-A429 HydrophobicContact CE2-CB 4.33Å; F390-A429 HydrophobicContact CZ-CB 3.99Å; F390-L434 HydrophobicContact CB-CD1 3.92Å; F390-L434 HydrophobicContact CD2-CD1 3.93Å; F390-L434 HydrophobicContact CG-CD1 4.04Å; F390-V466 HydrophobicContact CE1-CG1 3.78Å; F390-V466 HydrophobicContact CZ-CG1 4.34Å; F390-F467 HydrophobicContact CB-CZ 4.41Å; F390-F467 AromaticContact CD1-CE1 3.75Å; F390-F467 HydrophobicContact CD1-CE1 3.75Å; F390-F467 AromaticContact CD1-CZ 3.69Å; F390-F467 HydrophobicContact CD1-CZ 3.69Å; F390-F467 HydrophobicContact CE1-CE1 4.11Å; F390-F467 HydrophobicContact CE1-CZ 4.34Å; F390-F467 HydrophobicContact CG-CE1 4.14Å; F390-F467 HydrophobicContact CG-CZ 4.25Å |
| 391 | M | 98.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -55.7 | -50.2 | 173.6 | -77 | -66 | -61.6 | 0 | 0 | 111 | V387 H389 I395 L396 C460 A463 F467 | V387-M391 HydrophobicContact CG1-CG 4.15Å; V387-M391 VanDerWaalsContact O-CB 3.31Å; V387-M391 WeakPolarHBondContact O-CB 3.47Å; V387-M391 WeakPolarHBondContact O-CG 3.24Å; V387-M391 PolarHBondContact O-N 3.41Å; H389-M391 VanDerWaalsContact C-N 3.34Å; H389-M391 PolarHBondContact O-N 2.95Å; M391-I395 HydrophobicContact CE-CG2 3.97Å; M391-I395 HydrophobicContact CG-CD1 4.43Å; M391-I395 PolarHBondContact O-N 3.4Å; M391-I395 HydrophobicContact SD-CB 4Å; M391-I395 HydrophobicContact SD-CD1 3.39Å; M391-I395 WeakPolarHBondContact SD-CD1 3.34Å; M391-I395 HydrophobicContact SD-CG1 4.26Å; M391-I395 HydrophobicContact SD-CG2 3.86Å; M391-L396 HydrophobicContact CE-CD2 4.31Å; M391-L396 HydrophobicContact CE-CG 4.43Å; M391-L396 WeakPolarHBondContact O-CB 3.41Å; M391-L396 VanDerWaalsContact O-CG 3.31Å; M391-L396 WeakPolarHBondContact O-CG 3.49Å; M391-L396 PolarHBondContact O-N 3Å; M391-C460 HydrophobicContact CE-CB 3.89Å; M391-A463 HydrophobicContact CE-CB 3.98Å; M391-A463 HydrophobicContact SD-CB 3.64Å; M391-F467 HydrophobicContact SD-CE2 4.21Å |
| 392 | K | 96.6 | Very high | 96.1 | Very high | 159 Ų | 159 | 61.5 Ų | 61.5 | 69% | 0.691 | 30% | 0.298 | S | S | * | . | I | π-helix | trans | -69.2 | -39.1 | -177.8 | -175.2 | 178.3 | 177.8 | -178.2 | 0 | 113.4 | K388 H389 F390 P397 | K388-K392 WeakPolarHBondContact O-CB 3.12Å; K388-K392 PolarHBondContact O-N 2.96Å; K388-K392 VanDerWaalsContact O-N 3.1Å; H389-K392 PolarHBondContact O-N 3.44Å; H389-K392 VanDerWaalsContact O-N 3.16Å; F390-K392 PolarHBondContact O-N 3.06Å; K392-P397 WeakPolarHBondContact O-CD 3.4Å; K392-P397 WeakPolarHBondContact O-CG 3.21Å |
| 393 | Q | 97.4 | Very high | 95.9 | Very high | 97 Ų | 97 | 59.8 Ų | 59.8 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -89.2 | -27.1 | -172.5 | -71.6 | -165.7 | -24 | 0 | 0 | 114.4 | H389 F390 | H389-Q393 PolarHBondContact CD2-OE1 3.45Å; H389-Q393 VanDerWaalsContact CD2-OE1 3.31Å; H389-Q393 PolarHBondContact CE1-NE2 3Å; H389-Q393 PolarHBondContact NE2-NE2 2.99Å; H389-Q393 PolarHBondContact NE2-OE1 3.16Å; H389-Q393 WeakPolarHBondContact O-CB 3.36Å; H389-Q393 WeakPolarHBondContact O-CG 3.19Å; H389-Q393 PolarHBondContact O-N 3.07Å; F390-Q393 PolarHBondContact O-N 3.49Å |
| 394 | H | 97.9 | Very high | 95.7 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -126.1 | -51.4 | -169.7 | -56.3 | -47.5 | 0 | 0 | 0 | 112.8 | F390 A398 L425 M428 | F390-H394 HydrophobicContact CD1-CB 4.23Å; F390-H394 AromaticContact CD2-CD2 3.63Å; F390-H394 HydrophobicContact CE1-CB 4.01Å; F390-H394 AromaticContact CE2-CD2 3.71Å; F390-H394 AromaticContact CG-CD2 3.97Å; F390-H394 HydrophobicContact CZ-CB 4.26Å; F390-H394 WeakPolarHBondContact O-CB 3.38Å; F390-H394 PolarHBondContact O-N 3.43Å; H394-A398 WeakPolarHBondContact O-CB 3.35Å; H394-A398 PolarHBondContact O-N 3.4Å; H394-L425 HydrophobicContact CB-CD2 3.69Å; H394-M428 HydrophobicContact CB-CE 4.43Å |
| 395 | I | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -73.2 | -55.9 | -174.3 | -66.9 | 172.2 | 0 | 0 | 0 | 111.6 | F390 M391 A398 E399 C460 F462 A463 V466 F467 | F390-I395 HydrophobicContact CD1-CD1 3.71Å; F390-I395 HydrophobicContact CD1-CG1 3.89Å; F390-I395 HydrophobicContact CE1-CD1 3.92Å; F390-I395 HydrophobicContact CE1-CG1 3.86Å; F390-I395 PolarHBondContact O-N 3.33Å; M391-I395 HydrophobicContact CE-CG2 3.97Å; M391-I395 HydrophobicContact CG-CD1 4.43Å; M391-I395 PolarHBondContact O-N 3.4Å; M391-I395 HydrophobicContact SD-CB 4Å; M391-I395 HydrophobicContact SD-CD1 3.39Å; M391-I395 WeakPolarHBondContact SD-CD1 3.34Å; M391-I395 HydrophobicContact SD-CG1 4.26Å; M391-I395 HydrophobicContact SD-CG2 3.86Å; I395-A398 WeakPolarHBondContact O-CB 3.37Å; I395-A398 PolarHBondContact O-N 3.47Å; I395-E399 PolarHBondContact O-N 3.39Å; I395-E399 VanDerWaalsContact O-N 3.16Å; I395-C460 HydrophobicContact CG2-CB 4.18Å; I395-F462 HydrophobicContact CB-CE2 4.4Å; I395-F462 HydrophobicContact CG2-CD2 4.31Å; I395-F462 HydrophobicContact CG2-CE2 3.61Å; I395-F462 HydrophobicContact CG2-CZ 3.91Å; I395-F462 WeakPolarHBondContact O-CZ 3.45Å; I395-A463 HydrophobicContact CD1-CB 4.14Å; I395-A463 HydrophobicContact CG2-CB 4.07Å; I395-V466 HydrophobicContact CD1-CB 4.17Å; I395-V466 HydrophobicContact CD1-CG1 4Å; I395-V466 HydrophobicContact CD1-CG2 4.45Å; I395-V466 HydrophobicContact CG1-CG1 4.37Å; I395-V466 HydrophobicContact CG1-CG2 4.49Å; I395-F467 HydrophobicContact CD1-CE1 4.42Å; I395-F467 HydrophobicContact CD1-CE2 3.67Å; I395-F467 HydrophobicContact CD1-CZ 3.55Å |
| 396 | L | 94.3 | Very high | 95.1 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 37% | 0.366 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | -177 | -65.9 | 175 | 0 | 0 | 0 | 113.1 | M391 A398 E399 C460 | M391-L396 HydrophobicContact CE-CD2 4.31Å; M391-L396 HydrophobicContact CE-CG 4.43Å; M391-L396 WeakPolarHBondContact O-CB 3.41Å; M391-L396 VanDerWaalsContact O-CG 3.31Å; M391-L396 WeakPolarHBondContact O-CG 3.49Å; M391-L396 PolarHBondContact O-N 3Å; L396-A398 VanDerWaalsContact C-N 3.28Å; L396-A398 PolarHBondContact O-N 3.09Å; L396-E399 WeakPolarHBondContact O-CB 3.41Å; L396-E399 PolarHBondContact O-N 3.41Å; L396-E399 VanDerWaalsContact O-N 3.17Å; L396-C460 HydrophobicContact CD2-CB 4.37Å |
| 397 | P | 96.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 60.4 Ų | 60.4 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -31 | 172.1 | -27.5 | 38.6 | 0 | 0 | 0 | 114.1 | K392 E399 | K392-P397 WeakPolarHBondContact O-CD 3.4Å; K392-P397 WeakPolarHBondContact O-CG 3.21Å; P397-E399 VanDerWaalsContact C-N 3.31Å |
| 398 | A | 96.2 | Very high | 94.3 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -78.7 | -13.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H394 I395 L396 K400 E401 V402 V421 L425 F462 | H394-A398 WeakPolarHBondContact O-CB 3.35Å; H394-A398 PolarHBondContact O-N 3.4Å; I395-A398 WeakPolarHBondContact O-CB 3.37Å; I395-A398 PolarHBondContact O-N 3.47Å; L396-A398 VanDerWaalsContact C-N 3.28Å; L396-A398 PolarHBondContact O-N 3.09Å; A398-K400 PolarHBondContact O-N 2.69Å; A398-K400 VanDerWaalsContact O-N 3.17Å; A398-E401 PolarHBondContact O-N 2.86Å; A398-E401 VanDerWaalsContact O-N 3.14Å; A398-V402 WeakPolarHBondContact O-CG2 3.37Å; A398-V402 PolarHBondContact O-N 2.74Å; A398-V402 VanDerWaalsContact O-N 3.08Å; A398-V421 HydrophobicContact CB-CG2 4.14Å; A398-L425 HydrophobicContact CB-CD1 4.21Å; A398-F462 HydrophobicContact CB-CZ 4.46Å |
| 399 | E | 93 | Very high | 93.9 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 15% | 0.15 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.9 | -39.9 | -174.1 | -178.1 | 169.3 | -100.4 | 0 | 0 | 112.5 | I395 L396 P397 V402 I403 C460 F462 R646 | I395-E399 PolarHBondContact O-N 3.39Å; I395-E399 VanDerWaalsContact O-N 3.16Å; L396-E399 WeakPolarHBondContact O-CB 3.41Å; L396-E399 PolarHBondContact O-N 3.41Å; L396-E399 VanDerWaalsContact O-N 3.17Å; P397-E399 VanDerWaalsContact C-N 3.31Å; E399-V402 PolarHBondContact O-N 2.78Å; E399-I403 HydrophobicContact CG-CD1 3.61Å; E399-I403 HydrophobicContact CG-CG1 4.2Å; E399-I403 WeakPolarHBondContact O-CB 3.48Å; E399-I403 WeakPolarHBondContact O-CG1 3.3Å; E399-I403 PolarHBondContact O-N 2.81Å; E399-C460 PolarHBondContact OE1-SG 3.31Å; E399-F462 HydrophobicContact CB-CE1 4.25Å; E399-F462 HydrophobicContact CB-CZ 4.35Å; E399-F462 HydrophobicContact CG-CE1 4.41Å; E399-R646 IonicContact OE2-NH2 3.67Å; E399-R646 PolarHBondContact OE2-NH2 2.87Å |
| 400 | K | 89.6 | Confident | 93.5 | Very high | 151 Ų | 151 | 60.1 Ų | 60.1 | 66% | 0.657 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.2 | -50 | 178.7 | -173.5 | -176.8 | 174.4 | -170.6 | 0 | 112.5 | A398 V402 I403 E404 | A398-K400 PolarHBondContact O-N 2.69Å; A398-K400 VanDerWaalsContact O-N 3.17Å; K400-V402 VanDerWaalsContact C-N 3.33Å; K400-V402 PolarHBondContact O-N 3.31Å; K400-I403 PolarHBondContact O-N 2.78Å; K400-E404 WeakPolarHBondContact CE-OE1 3.34Å; K400-E404 WeakPolarHBondContact O-CG 3.41Å; K400-E404 PolarHBondContact O-N 3Å |
| 401 | E | 93.4 | Very high | 93.1 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 179 | -178.6 | -170.4 | 155.9 | 0 | 0 | 111 | A398 E404 F405 | A398-E401 PolarHBondContact O-N 2.86Å; A398-E401 VanDerWaalsContact O-N 3.14Å; E401-E404 PolarHBondContact O-N 3.17Å; E401-F405 PolarHBondContact O-N 3.35Å |
| 402 | V | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.4 | -34.6 | -178.3 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | A398 E399 K400 F405 Y406 P419 V421 I422 F461 F462 F595 | A398-V402 WeakPolarHBondContact O-CG2 3.37Å; A398-V402 PolarHBondContact O-N 2.74Å; A398-V402 VanDerWaalsContact O-N 3.08Å; E399-V402 PolarHBondContact O-N 2.78Å; K400-V402 VanDerWaalsContact C-N 3.33Å; K400-V402 PolarHBondContact O-N 3.31Å; V402-F405 PolarHBondContact O-N 2.98Å; V402-Y406 WeakPolarHBondContact O-CB 3.39Å; V402-Y406 PolarHBondContact O-N 3.3Å; V402-P419 HydrophobicContact CG1-CG 4.41Å; V402-V421 HydrophobicContact CG2-CG1 3.66Å; V402-I422 HydrophobicContact CG1-CD1 4.3Å; V402-I422 HydrophobicContact CG2-CD1 4.1Å; V402-F461 HydrophobicContact CB-CZ 4.43Å; V402-F461 HydrophobicContact CG1-CE2 4.13Å; V402-F461 HydrophobicContact CG1-CZ 3.68Å; V402-F462 HydrophobicContact CB-CD1 4.04Å; V402-F462 HydrophobicContact CB-CE1 3.78Å; V402-F462 HydrophobicContact CB-CZ 4.23Å; V402-F462 HydrophobicContact CG1-CD1 3.69Å; V402-F462 HydrophobicContact CG1-CE1 3.98Å; V402-F462 HydrophobicContact CG1-CG 4.13Å; V402-F462 HydrophobicContact CG2-CD1 4.43Å; V402-F462 HydrophobicContact CG2-CE1 4.05Å; V402-F462 HydrophobicContact CG2-CE2 4.3Å; V402-F462 HydrophobicContact CG2-CZ 3.98Å; V402-F595 HydrophobicContact CG1-CD2 4.29Å; V402-F595 HydrophobicContact CG1-CE2 3.54Å; V402-F595 HydrophobicContact CG1-CZ 4.09Å |
| 403 | I | 90.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 29% | 0.292 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 172.1 | -72.7 | 172.7 | 0 | 0 | 0 | 110.8 | E399 K400 F405 Y406 V407 F461 | E399-I403 HydrophobicContact CG-CD1 3.61Å; E399-I403 HydrophobicContact CG-CG1 4.2Å; E399-I403 WeakPolarHBondContact O-CB 3.48Å; E399-I403 WeakPolarHBondContact O-CG1 3.3Å; E399-I403 PolarHBondContact O-N 2.81Å; K400-I403 PolarHBondContact O-N 2.78Å; I403-F405 VanDerWaalsContact C-N 3.29Å; I403-F405 PolarHBondContact O-N 3.25Å; I403-Y406 WeakPolarHBondContact O-CB 3.42Å; I403-Y406 PolarHBondContact O-N 2.57Å; I403-Y406 VanDerWaalsContact O-N 3.1Å; I403-V407 HydrophobicContact CG2-CG2 4.14Å; I403-V407 WeakPolarHBondContact O-CG2 3.33Å; I403-V407 PolarHBondContact O-N 3.29Å; I403-F461 HydrophobicContact CG1-CE1 3.81Å; I403-F461 HydrophobicContact CG1-CZ 4.45Å |
| 404 | E | 90.5 | Very high | 91.7 | Very high | 94 Ų | 94 | 65.2 Ų | 65.2 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 176.4 | -74.5 | 172.7 | -169.5 | 0 | 0 | 111 | K400 E401 Q408 | K400-E404 WeakPolarHBondContact CE-OE1 3.34Å; K400-E404 WeakPolarHBondContact O-CG 3.41Å; K400-E404 PolarHBondContact O-N 3Å; E401-E404 PolarHBondContact O-N 3.17Å; E404-Q408 WeakPolarHBondContact O-CB 3.42Å; E404-Q408 WeakPolarHBondContact O-CG 3.24Å; E404-Q408 PolarHBondContact O-N 3.31Å; E404-Q408 VanDerWaalsContact O-N 3.11Å |
| 405 | F | 92.1 | Very high | 91.5 | Very high | 56 Ų | 56 | 68 Ų | 68 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 171.2 | 178.3 | -86.7 | 0 | 0 | 0 | 112 | E401 V402 I403 Q408 N409 P419 F595 | E401-F405 PolarHBondContact O-N 3.35Å; V402-F405 PolarHBondContact O-N 2.98Å; I403-F405 VanDerWaalsContact C-N 3.29Å; I403-F405 PolarHBondContact O-N 3.25Å; F405-Q408 PolarHBondContact O-N 2.57Å; F405-N409 WeakPolarHBondContact CD2-ND2 3.43Å; F405-N409 WeakPolarHBondContact CE2-ND2 3.15Å; F405-N409 WeakPolarHBondContact O-CB 3.43Å; F405-N409 PolarHBondContact O-N 3.39Å; F405-N409 PolarHBondContact O-ND2 3.23Å; F405-P419 HydrophobicContact CB-CG 4.28Å; F405-P419 HydrophobicContact CD1-CB 4.39Å; F405-P419 HydrophobicContact CD1-CG 3.94Å; F405-P419 HydrophobicContact CD2-CB 3.82Å; F405-P419 HydrophobicContact CD2-CG 4.25Å; F405-P419 HydrophobicContact CE1-CG 4.35Å; F405-P419 HydrophobicContact CE2-CB 4.07Å; F405-P419 HydrophobicContact CG-CB 3.98Å; F405-P419 HydrophobicContact CG-CG 3.89Å; F405-P419 HydrophobicContact CZ-CB 4.48Å; F405-F595 HydrophobicContact CD1-CD2 4.48Å |
| 406 | Y | 88.7 | Confident | 91.3 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.7 | -52.9 | 179.1 | 173.4 | -96.8 | 0 | 0 | 0 | 111.1 | V402 I403 Q408 N409 E410 F595 N743 | V402-Y406 WeakPolarHBondContact O-CB 3.39Å; V402-Y406 PolarHBondContact O-N 3.3Å; I403-Y406 WeakPolarHBondContact O-CB 3.42Å; I403-Y406 PolarHBondContact O-N 2.57Å; I403-Y406 VanDerWaalsContact O-N 3.1Å; Y406-Q408 VanDerWaalsContact C-N 3.33Å; Y406-Q408 PolarHBondContact O-N 3.07Å; Y406-N409 CarbonylContact O-C 3.59Å; Y406-N409 PolarHBondContact O-N 3.26Å; Y406-N409 VanDerWaalsContact O-N 3.13Å; Y406-E410 WeakPolarHBondContact CE2-OE2 3.16Å; Y406-E410 WeakPolarHBondContact O-CB 3.22Å; Y406-E410 PolarHBondContact O-N 3.2Å; Y406-E410 VanDerWaalsContact OH-CD 3.27Å; Y406-E410 PolarHBondContact OH-OE1 3.07Å; Y406-E410 PolarHBondContact OH-OE2 2.93Å; Y406-F595 HydrophobicContact CD2-CB 3.87Å; Y406-F595 HydrophobicContact CE2-CB 4.4Å; Y406-N743 PolarHBondContact OH-ND2 2.92Å |
| 407 | V | 89.4 | Confident | 91.2 | Very high | 69 Ų | 69 | 67.1 Ų | 67.1 | 42% | 0.418 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | -177.6 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | I403 N409 | I403-V407 HydrophobicContact CG2-CG2 4.14Å; I403-V407 WeakPolarHBondContact O-CG2 3.33Å; I403-V407 PolarHBondContact O-N 3.29Å; V407-N409 VanDerWaalsContact C-N 3.29Å; V407-N409 PolarHBondContact O-N 3.35Å |
| 408 | Q | 90.8 | Very high | 91 | Very high | 150 Ų | 150 | 65.2 Ų | 65.2 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.3 | -24.1 | 179.2 | -72.4 | 172.9 | 9.8 | 0 | 0 | 113.8 | E404 F405 Y406 | E404-Q408 WeakPolarHBondContact O-CB 3.42Å; E404-Q408 WeakPolarHBondContact O-CG 3.24Å; E404-Q408 PolarHBondContact O-N 3.31Å; E404-Q408 VanDerWaalsContact O-N 3.11Å; F405-Q408 PolarHBondContact O-N 2.57Å; Y406-Q408 VanDerWaalsContact C-N 3.33Å; Y406-Q408 PolarHBondContact O-N 3.07Å |
| 409 | N | 90.4 | Very high | 90.9 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -113.5 | -5.1 | -173.2 | -60.8 | -68.6 | 0 | 0 | 0 | 113.3 | F405 Y406 V407 N411 S412 K415 N594 | F405-N409 WeakPolarHBondContact CD2-ND2 3.43Å; F405-N409 WeakPolarHBondContact CE2-ND2 3.15Å; F405-N409 WeakPolarHBondContact O-CB 3.43Å; F405-N409 PolarHBondContact O-N 3.39Å; F405-N409 PolarHBondContact O-ND2 3.23Å; Y406-N409 CarbonylContact O-C 3.59Å; Y406-N409 PolarHBondContact O-N 3.26Å; Y406-N409 VanDerWaalsContact O-N 3.13Å; V407-N409 VanDerWaalsContact C-N 3.29Å; V407-N409 PolarHBondContact O-N 3.35Å; N409-N411 PolarHBondContact O-N 3.2Å; N409-S412 WeakPolarHBondContact O-CB 3.42Å; N409-S412 PolarHBondContact O-N 2.78Å; N409-K415 HydrophobicContact CB-CD 4.35Å; N409-K415 WeakPolarHBondContact OD1-CD 3.45Å; N409-K415 WeakPolarHBondContact OD1-CE 3.37Å; N409-K415 PolarHBondContact OD1-NZ 3.22Å; N409-N594 PolarHBondContact O-OD1 2.86Å |
| 410 | E | 88.7 | Confident | 91 | Very high | 31 Ų | 31 | 71 Ų | 71 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.1 | 173.8 | -168.4 | 62.9 | -164.6 | 0 | 0 | 110 | Y406 S412 Y591 I592 D593 | Y406-E410 WeakPolarHBondContact CE2-OE2 3.16Å; Y406-E410 WeakPolarHBondContact O-CB 3.22Å; Y406-E410 PolarHBondContact O-N 3.2Å; Y406-E410 VanDerWaalsContact OH-CD 3.27Å; Y406-E410 PolarHBondContact OH-OE1 3.07Å; Y406-E410 PolarHBondContact OH-OE2 2.93Å; E410-S412 PolarHBondContact O-N 3.02Å; E410-Y591 HydrophobicContact CG-CD1 4.3Å; E410-Y591 VanDerWaalsContact OE1-CA 3.23Å; E410-Y591 WeakPolarHBondContact OE1-CA 3.44Å; E410-Y591 WeakPolarHBondContact OE1-CB 3.48Å; E410-I592 PolarHBondContact OE1-N 2.82Å; E410-D593 PolarHBondContact OE1-N 2.78Å |
| 411 | N | 89.9 | Confident | 91.4 | Very high | 88 Ų | 88 | 65 Ų | 65 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 15.5 | -171.6 | -60.4 | -42 | 0 | 0 | 0 | 114.9 | N409 G590 I592 N594 | N409-N411 PolarHBondContact O-N 3.2Å; N411-G590 PolarHBondContact ND2-O 2.98Å; N411-G590 PolarHBondContact OD1-O 2.7Å; N411-G590 VanDerWaalsContact OD1-O 3.1Å; N411-I592 HydrophobicContact CB-CD1 4.47Å; N411-I592 WeakPolarHBondContact OD1-CD1 3.42Å; N411-I592 VanDerWaalsContact OD1-CG1 3.22Å; N411-I592 WeakPolarHBondContact OD1-CG1 3.36Å; N411-N594 PolarHBondContact N-OD1 3.13Å |
| 412 | S | 88.7 | Confident | 91.6 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | trans | -64.3 | 137.1 | 168 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | N409 E410 N414 K415 N594 | N409-S412 WeakPolarHBondContact O-CB 3.42Å; N409-S412 PolarHBondContact O-N 2.78Å; E410-S412 PolarHBondContact O-N 3.02Å; S412-N414 VanDerWaalsContact C-N 3.35Å; S412-N414 PolarHBondContact OG-N 3.48Å; S412-N414 PolarHBondContact OG-OD1 3.03Å; S412-N414 VanDerWaalsContact OG-OD1 3.12Å; S412-K415 WeakPolarHBondContact OG-CB 3.32Å; S412-K415 PolarHBondContact OG-N 3.39Å; S412-N594 PolarHBondContact O-ND2 3.2Å | ||
| 413 | V | 87.1 | Confident | 91.7 | Very high | 132 Ų | 132 | 62.8 Ų | 62.8 | 80% | 0.8 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -70.8 | -31.4 | 177.4 | -179 | 0 | 0 | 0 | 0 | 111.9 | W416 | V413-W416 PolarHBondContact O-NE1 3.3Å; V413-W416 VanDerWaalsContact O-NE1 3.14Å |
| 414 | N | 88.3 | Confident | 92 | Very high | 127 Ų | 127 | 67 Ų | 67 | 68% | 0.679 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -125 | -7.3 | -166.4 | 62.5 | -10.8 | 0 | 0 | 0 | 115.2 | S412 | S412-N414 VanDerWaalsContact C-N 3.35Å; S412-N414 PolarHBondContact OG-N 3.48Å; S412-N414 PolarHBondContact OG-OD1 3.03Å; S412-N414 VanDerWaalsContact OG-OD1 3.12Å |
| 415 | K | 92.4 | Very high | 92.4 | Very high | 108 Ų | 108 | 63 Ų | 63 | 47% | 0.47 | 33% | 0.325 | S | S | . | . | trans | -102.4 | 108.9 | -179.7 | -64.6 | -179.7 | -177.5 | -178.1 | 0 | 111.5 | N409 S412 N594 | N409-K415 HydrophobicContact CB-CD 4.35Å; N409-K415 WeakPolarHBondContact OD1-CD 3.45Å; N409-K415 WeakPolarHBondContact OD1-CE 3.37Å; N409-K415 PolarHBondContact OD1-NZ 3.22Å; S412-K415 WeakPolarHBondContact OG-CB 3.32Å; S412-K415 PolarHBondContact OG-N 3.39Å; K415-N594 WeakPolarHBondContact O-CB 3.46Å; K415-N594 PolarHBondContact O-ND2 3.22Å | ||
| 416 | W | 94.8 | Very high | 92.7 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | trans | -127.3 | 16 | -177.1 | -54.9 | 99.4 | 0 | 0 | 0 | 112.7 | V413 G544 N545 P585 I592 N594 F600 | V413-W416 PolarHBondContact O-NE1 3.3Å; V413-W416 VanDerWaalsContact O-NE1 3.14Å; W416-G544 VanDerWaalsContact CB-C 3.42Å; W416-G544 WeakPolarHBondContact CB-O 3.47Å; W416-N545 PolarHBondContact O-ND2 2.91Å; W416-P585 HydrophobicContact CH2-CB 3.53Å; W416-P585 HydrophobicContact CH2-CG 3.98Å; W416-P585 HydrophobicContact CZ2-CB 4.18Å; W416-P585 HydrophobicContact CZ2-CG 4.24Å; W416-P585 HydrophobicContact CZ3-CB 4.38Å; W416-I592 HydrophobicContact CH2-CG2 3.22Å; W416-I592 HydrophobicContact CZ2-CG2 4.42Å; W416-I592 HydrophobicContact CZ3-CG2 3.37Å; W416-N594 CarbonylContact C-O 3.12Å; W416-N594 WeakPolarHBondContact CA-O 3.49Å; W416-F600 HydrophobicContact CD2-CE2 4.3Å; W416-F600 AromaticContact CD2-CZ 3.88Å; W416-F600 HydrophobicContact CD2-CZ 3.88Å; W416-F600 AromaticContact CE2-CZ 3.7Å; W416-F600 AromaticContact CE3-CE2 3.9Å; W416-F600 HydrophobicContact CE3-CE2 3.9Å; W416-F600 AromaticContact CE3-CZ 3.84Å; W416-F600 HydrophobicContact CE3-CZ 3.84Å; W416-F600 HydrophobicContact CH2-CE1 4.35Å; W416-F600 HydrophobicContact CH2-CE2 4.05Å; W416-F600 AromaticContact CH2-CZ 3.48Å; W416-F600 HydrophobicContact CH2-CZ 3.48Å; W416-F600 VanDerWaalsContact CH2-CZ 3.48Å; W416-F600 HydrophobicContact CZ2-CE1 4.24Å; W416-F600 HydrophobicContact CZ2-CE2 4.45Å; W416-F600 AromaticContact CZ2-CZ 3.53Å; W416-F600 HydrophobicContact CZ2-CZ 3.53Å; W416-F600 AromaticContact CZ3-CE2 3.76Å; W416-F600 HydrophobicContact CZ3-CE2 3.76Å; W416-F600 AromaticContact CZ3-CZ 3.65Å; W416-F600 HydrophobicContact CZ3-CZ 3.65Å | ||
| 417 | G | 91.2 | Very high | 93.2 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -102.7 | -174 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 418 | R | 92.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 17% | 0.166 | 33% | 0.329 | C | S | . | . | trans | -117.3 | 153.8 | 179 | -61.5 | -176.3 | -171.9 | 76.4 | -1.1 | 110.1 | I422 D465 N545 F595 | R418-I422 HydrophobicContact CB-CB 4.23Å; R418-I422 HydrophobicContact CB-CG1 4.13Å; R418-I422 HydrophobicContact CB-CG2 4.49Å; R418-D465 IonicContact CZ-OD1 3.03Å; R418-D465 IonicContact NE-OD1 3.79Å; R418-D465 PolarHBondContact NE-OD1 2.97Å; R418-D465 IonicContact NH2-OD1 2.84Å; R418-D465 PolarHBondContact NH2-OD1 3.2Å; R418-N545 PolarHBondContact NH1-ND2 3.46Å; R418-F595 HydrophobicContact CB-CE2 4.38Å; R418-F595 HydrophobicContact CG-CE1 4.5Å; R418-F595 HydrophobicContact CG-CE2 4.16Å; R418-F595 HydrophobicContact CG-CZ 4.14Å | ||
| 419 | P | 94.6 | Very high | 94 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | trans | -70.9 | 156.6 | 175.3 | 28.5 | -30.7 | 0 | 0 | 0 | 111.4 | V402 F405 V421 I422 | V402-P419 HydrophobicContact CG1-CG 4.41Å; F405-P419 HydrophobicContact CB-CG 4.28Å; F405-P419 HydrophobicContact CD1-CB 4.39Å; F405-P419 HydrophobicContact CD1-CG 3.94Å; F405-P419 HydrophobicContact CD2-CB 3.82Å; F405-P419 HydrophobicContact CD2-CG 4.25Å; F405-P419 HydrophobicContact CE1-CG 4.35Å; F405-P419 HydrophobicContact CE2-CB 4.07Å; F405-P419 HydrophobicContact CG-CB 3.98Å; F405-P419 HydrophobicContact CG-CG 3.89Å; F405-P419 HydrophobicContact CZ-CB 4.48Å; P419-V421 HydrophobicContact CB-CG1 4.19Å; P419-V421 HydrophobicContact CG-CG1 3.94Å; P419-V421 PolarHBondContact O-N 3.25Å; P419-V421 VanDerWaalsContact O-N 3.12Å; P419-I422 HydrophobicContact CG-CG1 4.08Å; P419-I422 WeakPolarHBondContact O-CB 3.34Å; P419-I422 PolarHBondContact O-N 3.49Å | ||
| 420 | L | 94.5 | Very high | 94.3 | Very high | 148 Ų | 148 | 59.8 Ų | 59.8 | 78% | 0.775 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.4 | -27.8 | -176 | -68 | 174.7 | 0 | 0 | 0 | 113.8 | I422 D423 K424 | L420-I422 PolarHBondContact O-N 3.06Å; L420-D423 PolarHBondContact O-N 2.88Å; L420-D423 VanDerWaalsContact O-N 3.13Å; L420-K424 PolarHBondContact O-N 2.91Å; L420-K424 VanDerWaalsContact O-N 3.11Å |
| 421 | V | 97 | Very high | 94.7 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.6 | -31.9 | 175.5 | 66.4 | 0 | 0 | 0 | 0 | 112 | A398 V402 P419 K424 L425 | A398-V421 HydrophobicContact CB-CG2 4.14Å; V402-V421 HydrophobicContact CG2-CG1 3.66Å; P419-V421 HydrophobicContact CB-CG1 4.19Å; P419-V421 HydrophobicContact CG-CG1 3.94Å; P419-V421 PolarHBondContact O-N 3.25Å; P419-V421 VanDerWaalsContact O-N 3.12Å; V421-K424 PolarHBondContact O-N 3.39Å; V421-L425 HydrophobicContact CG2-CD1 4.31Å; V421-L425 HydrophobicContact CG2-CG 4.48Å; V421-L425 WeakPolarHBondContact O-CB 3.21Å; V421-L425 VanDerWaalsContact O-CG 3.28Å; V421-L425 WeakPolarHBondContact O-CG 3.17Å; V421-L425 PolarHBondContact O-N 3.47Å |
| 422 | I | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 176.7 | -58.9 | -58.3 | 0 | 0 | 0 | 111.2 | V402 R418 P419 L420 K424 L425 K426 F462 F595 | V402-I422 HydrophobicContact CG1-CD1 4.3Å; V402-I422 HydrophobicContact CG2-CD1 4.1Å; R418-I422 HydrophobicContact CB-CB 4.23Å; R418-I422 HydrophobicContact CB-CG1 4.13Å; R418-I422 HydrophobicContact CB-CG2 4.49Å; P419-I422 HydrophobicContact CG-CG1 4.08Å; P419-I422 WeakPolarHBondContact O-CB 3.34Å; P419-I422 PolarHBondContact O-N 3.49Å; L420-I422 PolarHBondContact O-N 3.06Å; I422-K424 VanDerWaalsContact C-N 3.32Å; I422-K424 PolarHBondContact O-N 3.25Å; I422-L425 PolarHBondContact O-N 3.49Å; I422-K426 HydrophobicContact CG2-CD 4.29Å; I422-K426 HydrophobicContact CG2-CG 4.46Å; I422-K426 VanDerWaalsContact O-CG 3.32Å; I422-K426 WeakPolarHBondContact O-CG 3.39Å; I422-K426 PolarHBondContact O-N 3.32Å; I422-F462 HydrophobicContact CD1-CB 4.02Å; I422-F462 HydrophobicContact CD1-CD2 3.48Å; I422-F462 VanDerWaalsContact CD1-CD2 3.48Å; I422-F462 HydrophobicContact CD1-CE2 4.12Å; I422-F462 HydrophobicContact CD1-CG 3.89Å; I422-F595 HydrophobicContact CD1-CE2 4.41Å; I422-F595 HydrophobicContact CD1-CZ 4.01Å; I422-F595 HydrophobicContact CG1-CE2 4.21Å; I422-F595 HydrophobicContact CG1-CZ 4.05Å |
| 423 | D | 95.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 63.8 Ų | 63.8 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 178.4 | -74.3 | -21.5 | 0 | 0 | 0 | 110.5 | L420 L425 K426 E427 K547 | L420-D423 PolarHBondContact O-N 2.88Å; L420-D423 VanDerWaalsContact O-N 3.13Å; D423-L425 PolarHBondContact O-N 2.72Å; D423-K426 WeakPolarHBondContact O-CB 3.03Å; D423-K426 PolarHBondContact O-N 2.64Å; D423-E427 WeakPolarHBondContact O-CG 3.31Å; D423-E427 PolarHBondContact O-N 3.13Å; D423-K547 IonicContact OD1-NZ 2.75Å; D423-K547 IonicContact OD2-NZ 3.94Å |
| 424 | K | 97.4 | Very high | 95.8 | Very high | 147 Ų | 147 | 57.6 Ų | 57.6 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.9 | -45.3 | 172.8 | -175.1 | 178.7 | 178.2 | -178 | 0 | 112.4 | L420 V421 I422 K426 E427 M428 | L420-K424 PolarHBondContact O-N 2.91Å; L420-K424 VanDerWaalsContact O-N 3.11Å; V421-K424 PolarHBondContact O-N 3.39Å; I422-K424 VanDerWaalsContact C-N 3.32Å; I422-K424 PolarHBondContact O-N 3.25Å; K424-K426 VanDerWaalsContact C-N 3.33Å; K424-K426 PolarHBondContact O-N 3.25Å; K424-E427 PolarHBondContact O-N 2.71Å; K424-M428 HydrophobicContact CG-SD 4.29Å; K424-M428 WeakPolarHBondContact O-CG 3.32Å; K424-M428 PolarHBondContact O-N 2.9Å; K424-M428 VanDerWaalsContact O-N 3.07Å |
| 425 | L | 98.5 | Very high | 96.3 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 177.6 | -73.4 | 171.6 | 0 | 0 | 0 | 111.8 | F390 H394 A398 V421 I422 D423 M428 A429 F462 V466 | F390-L425 HydrophobicContact CE1-CD2 4.34Å; F390-L425 HydrophobicContact CZ-CD2 4.49Å; H394-L425 HydrophobicContact CB-CD2 3.69Å; A398-L425 HydrophobicContact CB-CD1 4.21Å; V421-L425 HydrophobicContact CG2-CD1 4.31Å; V421-L425 HydrophobicContact CG2-CG 4.48Å; V421-L425 WeakPolarHBondContact O-CB 3.21Å; V421-L425 VanDerWaalsContact O-CG 3.28Å; V421-L425 WeakPolarHBondContact O-CG 3.17Å; V421-L425 PolarHBondContact O-N 3.47Å; I422-L425 PolarHBondContact O-N 3.49Å; D423-L425 PolarHBondContact O-N 2.72Å; L425-M428 PolarHBondContact O-N 3.24Å; L425-A429 WeakPolarHBondContact O-CB 3.25Å; L425-A429 PolarHBondContact O-N 3.4Å; L425-F462 HydrophobicContact CD1-CE2 4.06Å; L425-V466 HydrophobicContact CB-CG1 3.84Å; L425-V466 HydrophobicContact CB-CG2 3.83Å; L425-V466 HydrophobicContact CD1-CG2 4.1Å |
| 426 | K | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 174.9 | -75.2 | 177.1 | 164.1 | -172.2 | 0 | 112 | I422 D423 K424 M428 A429 K430 W435 D465 | I422-K426 HydrophobicContact CG2-CD 4.29Å; I422-K426 HydrophobicContact CG2-CG 4.46Å; I422-K426 VanDerWaalsContact O-CG 3.32Å; I422-K426 WeakPolarHBondContact O-CG 3.39Å; I422-K426 PolarHBondContact O-N 3.32Å; D423-K426 WeakPolarHBondContact O-CB 3.03Å; D423-K426 PolarHBondContact O-N 2.64Å; K424-K426 VanDerWaalsContact C-N 3.33Å; K424-K426 PolarHBondContact O-N 3.25Å; K426-M428 VanDerWaalsContact C-N 3.34Å; K426-M428 PolarHBondContact O-N 3.27Å; K426-A429 PolarHBondContact O-N 3.05Å; K426-K430 WeakPolarHBondContact O-CG 3.36Å; K426-K430 PolarHBondContact O-N 3.44Å; K426-W435 HydrophobicContact CB-CH2 4.05Å; K426-W435 HydrophobicContact CB-CZ3 3.75Å; K426-W435 HydrophobicContact CD-CH2 4.09Å; K426-W435 HydrophobicContact CD-CZ3 4.39Å; K426-W435 HydrophobicContact CG-CH2 4.02Å; K426-W435 HydrophobicContact CG-CZ3 3.81Å; K426-D465 WeakPolarHBondContact CE-O 3.38Å |
| 427 | E | 98.1 | Very high | 96.8 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 178.7 | -66.8 | -53.3 | 123.2 | 0 | 0 | 112.3 | D423 K424 K430 A431 | D423-E427 WeakPolarHBondContact O-CG 3.31Å; D423-E427 PolarHBondContact O-N 3.13Å; K424-E427 PolarHBondContact O-N 2.71Å; E427-K430 PolarHBondContact O-N 3.1Å; E427-K430 IonicContact OE1-NZ 2.66Å; E427-K430 PolarHBondContact OE1-NZ 3.42Å; E427-A431 PolarHBondContact O-N 3.17Å |
| 428 | M | 98.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 28% | 0.276 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 171.7 | -68.4 | 172.1 | 61.5 | 0 | 0 | 111.9 | F390 H394 K424 L425 K426 K430 A431 E432 | F390-M428 HydrophobicContact CE2-CB 3.96Å; F390-M428 HydrophobicContact CZ-CB 3.91Å; H394-M428 HydrophobicContact CB-CE 4.43Å; K424-M428 HydrophobicContact CG-SD 4.29Å; K424-M428 WeakPolarHBondContact O-CG 3.32Å; K424-M428 PolarHBondContact O-N 2.9Å; K424-M428 VanDerWaalsContact O-N 3.07Å; L425-M428 PolarHBondContact O-N 3.24Å; K426-M428 VanDerWaalsContact C-N 3.34Å; K426-M428 PolarHBondContact O-N 3.27Å; M428-K430 PolarHBondContact O-N 2.66Å; M428-A431 WeakPolarHBondContact O-CB 3.41Å; M428-A431 PolarHBondContact O-N 3.04Å; M428-E432 PolarHBondContact O-N 3.31Å; M428-E432 VanDerWaalsContact O-N 3.17Å |
| 429 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F390 L425 K426 E432 G433 L434 V466 F467 | F390-A429 HydrophobicContact CE1-CB 4.48Å; F390-A429 HydrophobicContact CE2-CB 4.33Å; F390-A429 HydrophobicContact CZ-CB 3.99Å; L425-A429 WeakPolarHBondContact O-CB 3.25Å; L425-A429 PolarHBondContact O-N 3.4Å; K426-A429 PolarHBondContact O-N 3.05Å; A429-E432 PolarHBondContact O-N 3.21Å; A429-G433 PolarHBondContact O-N 3.31Å; A429-L434 HydrophobicContact CB-CB 4.34Å; A429-L434 PolarHBondContact O-N 3.13Å; A429-V466 HydrophobicContact CB-CG1 4.03Å; A429-V466 WeakPolarHBondContact CB-O 3.48Å; A429-F467 HydrophobicContact CB-CD1 3.9Å; A429-F467 HydrophobicContact CB-CE1 4.12Å |
| 430 | K | 97.6 | Very high | 96.7 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 172.8 | -74.2 | 175 | -176.7 | 171.9 | 0 | 112 | K426 E427 M428 E432 G433 W435 Q498 | K426-K430 WeakPolarHBondContact O-CG 3.36Å; K426-K430 PolarHBondContact O-N 3.44Å; E427-K430 PolarHBondContact O-N 3.1Å; E427-K430 IonicContact OE1-NZ 2.66Å; E427-K430 PolarHBondContact OE1-NZ 3.42Å; M428-K430 PolarHBondContact O-N 2.66Å; K430-E432 PolarHBondContact O-N 3.3Å; K430-G433 PolarHBondContact O-N 3.23Å; K430-W435 HydrophobicContact CD-CD2 4.36Å; K430-W435 HydrophobicContact CD-CE3 4.46Å; K430-W435 HydrophobicContact CD-CZ2 4.46Å; K430-W435 VanDerWaalsContact CE-CH2 3.5Å; K430-W435 HydrophobicContact CG-CB 4.34Å; K430-W435 HydrophobicContact CG-CD2 3.54Å; K430-W435 HydrophobicContact CG-CE3 3.58Å; K430-W435 HydrophobicContact CG-CG 3.89Å; K430-W435 HydrophobicContact CG-CH2 4.49Å; K430-W435 HydrophobicContact CG-CZ2 4.47Å; K430-W435 HydrophobicContact CG-CZ3 4.06Å; K430-Q498 WeakPolarHBondContact CE-O 3.39Å; K430-Q498 PolarHBondContact NZ-O 2.95Å |
| 431 | A | 97.1 | Very high | 96.1 | Very high | 91 Ų | 91 | 42.1 Ų | 42.1 | 75% | 0.752 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.4 | -31 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E427 M428 | E427-A431 PolarHBondContact O-N 3.17Å; M428-A431 WeakPolarHBondContact O-CB 3.41Å; M428-A431 PolarHBondContact O-N 3.04Å |
| 432 | E | 95.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.9 | 176.3 | -68.8 | -173.5 | -147.8 | 0 | 0 | 114.3 | M428 A429 K430 L434 | M428-E432 PolarHBondContact O-N 3.31Å; M428-E432 VanDerWaalsContact O-N 3.17Å; A429-E432 PolarHBondContact O-N 3.21Å; K430-E432 PolarHBondContact O-N 3.3Å; E432-L434 VanDerWaalsContact C-N 3.31Å; E432-L434 HydrophobicContact CB-CD1 4.32Å; E432-L434 HydrophobicContact CB-CG 4.11Å |
| 433 | G | 95.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 45.4 Ų | 45.4 | 58% | 0.577 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 18.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A429 K430 W435 | A429-G433 PolarHBondContact O-N 3.31Å; K430-G433 PolarHBondContact O-N 3.23Å; G433-W435 VanDerWaalsContact C-N 3.31Å; G433-W435 PolarHBondContact O-N 3.17Å |
| 434 | L | 98.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -90 | 60.1 | 178.1 | -58.1 | -179 | 0 | 0 | 0 | 110.6 | V383 K386 V387 F390 A429 E432 F467 | V383-L434 HydrophobicContact CG1-CD2 4.16Å; K386-L434 HydrophobicContact CB-CD1 4.3Å; K386-L434 HydrophobicContact CB-CD2 3.91Å; K386-L434 HydrophobicContact CD-CD2 4.36Å; V387-L434 HydrophobicContact CG2-CD1 4.46Å; V387-L434 HydrophobicContact CG2-CD2 4.04Å; F390-L434 HydrophobicContact CB-CD1 3.92Å; F390-L434 HydrophobicContact CD2-CD1 3.93Å; F390-L434 HydrophobicContact CG-CD1 4.04Å; A429-L434 HydrophobicContact CB-CB 4.34Å; A429-L434 PolarHBondContact O-N 3.13Å; E432-L434 VanDerWaalsContact C-N 3.31Å; E432-L434 HydrophobicContact CB-CD1 4.32Å; E432-L434 HydrophobicContact CB-CG 4.11Å; L434-F467 HydrophobicContact CB-CD1 3.81Å; L434-F467 HydrophobicContact CB-CE1 3.89Å; L434-F467 HydrophobicContact CD1-CE1 4.02Å; L434-F467 VanDerWaalsContact O-CD1 3.26Å; L434-F467 WeakPolarHBondContact O-CD1 3.34Å | ||
| 435 | W | 98.5 | Very high | 93.9 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -140.1 | 139.7 | -170.8 | -166.9 | -102.2 | 0 | 0 | 0 | 112 | K426 K430 G433 L437 V466 N468 L497 | K426-W435 HydrophobicContact CB-CH2 4.05Å; K426-W435 HydrophobicContact CB-CZ3 3.75Å; K426-W435 HydrophobicContact CD-CH2 4.09Å; K426-W435 HydrophobicContact CD-CZ3 4.39Å; K426-W435 HydrophobicContact CG-CH2 4.02Å; K426-W435 HydrophobicContact CG-CZ3 3.81Å; K430-W435 HydrophobicContact CD-CD2 4.36Å; K430-W435 HydrophobicContact CD-CE3 4.46Å; K430-W435 HydrophobicContact CD-CZ2 4.46Å; K430-W435 VanDerWaalsContact CE-CH2 3.5Å; K430-W435 HydrophobicContact CG-CB 4.34Å; K430-W435 HydrophobicContact CG-CD2 3.54Å; K430-W435 HydrophobicContact CG-CE3 3.58Å; K430-W435 HydrophobicContact CG-CG 3.89Å; K430-W435 HydrophobicContact CG-CH2 4.49Å; K430-W435 HydrophobicContact CG-CZ2 4.47Å; K430-W435 HydrophobicContact CG-CZ3 4.06Å; G433-W435 VanDerWaalsContact C-N 3.31Å; G433-W435 PolarHBondContact O-N 3.17Å; W435-L437 PolarHBondContact O-N 3.26Å; W435-V466 VanDerWaalsContact CZ3-O 3.22Å; W435-V466 WeakPolarHBondContact CZ3-O 3.5Å; W435-N468 HydrophobicContact CD2-CB 3.81Å; W435-N468 VanDerWaalsContact CE2-CB 3.49Å; W435-N468 HydrophobicContact CE3-CB 4.01Å; W435-N468 HydrophobicContact CH2-CB 3.66Å; W435-N468 HydrophobicContact CZ2-CB 3.42Å; W435-N468 VanDerWaalsContact CZ2-CB 3.42Å; W435-N468 HydrophobicContact CZ3-CB 3.95Å; W435-L497 PolarHBondContact NE1-O 3.34Å |
| 436 | N | 98.3 | Very high | 93.6 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 54.8 | 34.7 | -177.2 | -58.8 | -33.1 | 0 | 0 | 0 | 113.5 | F438 L439 V442 F467 N468 L497 | N436-F438 HydrophobicContact CB-CE1 4.3Å; N436-F438 PolarHBondContact O-N 3.48Å; N436-F438 VanDerWaalsContact O-N 3.09Å; N436-L439 PolarHBondContact O-N 2.93Å; N436-V442 HydrophobicContact CB-CG1 4.11Å; N436-F467 PolarHBondContact N-O 2.95Å; N436-F467 VanDerWaalsContact N-O 3.1Å; N436-N468 WeakPolarHBondContact OD1-CB 3.44Å; N436-N468 PolarHBondContact OD1-ND2 3.35Å; N436-L497 HydrophobicContact CB-CD2 4.34Å; N436-L497 WeakPolarHBondContact ND2-CD2 3.45Å; N436-L497 PolarHBondContact ND2-O 3.43Å |
| 437 | L | 98.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.3 | -172.4 | -60.1 | -180 | 0 | 0 | 0 | 113.4 | V383 V387 W435 L439 S443 L445 Y450 I453 F467 | V383-L437 HydrophobicContact CG1-CD1 4.24Å; V383-L437 HydrophobicContact CG1-CD2 4.1Å; V387-L437 HydrophobicContact CG2-CD1 3.89Å; W435-L437 PolarHBondContact O-N 3.26Å; L437-L439 VanDerWaalsContact C-N 3.3Å; L437-L439 PolarHBondContact O-N 3.46Å; L437-S443 WeakPolarHBondContact O-CB 3.23Å; L437-S443 PolarHBondContact O-OG 2.94Å; L437-L445 HydrophobicContact CB-CD1 4.33Å; L437-L445 HydrophobicContact CD2-CD1 4.33Å; L437-Y450 HydrophobicContact CB-CD2 4.11Å; L437-Y450 HydrophobicContact CB-CE2 3.99Å; L437-I453 HydrophobicContact CD1-CG2 3.92Å; L437-F467 HydrophobicContact CD1-CB 4.5Å |
| 438 | F | 97.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21.2 | -179 | 78.5 | -81.7 | 0 | 0 | 0 | 114.5 | N436 P440 Y450 N468 T474 M477 E478 | N436-F438 HydrophobicContact CB-CE1 4.3Å; N436-F438 PolarHBondContact O-N 3.48Å; N436-F438 VanDerWaalsContact O-N 3.09Å; F438-P440 WeakPolarHBondContact O-CD 3.34Å; F438-Y450 HydrophobicContact CB-CD1 4.26Å; F438-Y450 HydrophobicContact CB-CD2 4.46Å; F438-Y450 HydrophobicContact CB-CE1 3.58Å; F438-Y450 HydrophobicContact CB-CE2 3.83Å; F438-Y450 WeakPolarHBondContact CB-OH 3.39Å; F438-N468 WeakPolarHBondContact CE1-O 3.45Å; F438-T474 HydrophobicContact CB-CG2 4.34Å; F438-T474 HydrophobicContact CD1-CG2 3.53Å; F438-T474 HydrophobicContact CD2-CG2 3.7Å; F438-T474 HydrophobicContact CE1-CG2 3.66Å; F438-T474 HydrophobicContact CE2-CG2 3.81Å; F438-T474 WeakPolarHBondContact CE2-O 3.47Å; F438-T474 HydrophobicContact CG-CG2 3.57Å; F438-T474 HydrophobicContact CZ-CG2 3.81Å; F438-M477 HydrophobicContact CE1-CE 3.58Å; F438-M477 HydrophobicContact CE1-SD 4.33Å; F438-M477 HydrophobicContact CE2-CB 4.44Å; F438-M477 HydrophobicContact CZ-CB 3.95Å; F438-M477 HydrophobicContact CZ-CE 3.48Å; F438-M477 VanDerWaalsContact CZ-CE 3.48Å; F438-M477 HydrophobicContact CZ-SD 3.97Å; F438-E478 HydrophobicContact CE2-CG 4.11Å |
| 439 | L | 92.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | trans | -103.3 | 105.2 | -169.5 | -170 | 62.1 | 0 | 0 | 0 | 110.7 | N436 L437 A441 V442 S443 E478 L497 | N436-L439 PolarHBondContact O-N 2.93Å; L437-L439 VanDerWaalsContact C-N 3.3Å; L437-L439 PolarHBondContact O-N 3.46Å; L439-A441 VanDerWaalsContact C-N 3.28Å; L439-A441 PolarHBondContact O-N 2.75Å; L439-A441 VanDerWaalsContact O-N 3.16Å; L439-V442 HydrophobicContact CB-CB 4.44Å; L439-V442 HydrophobicContact CD2-CB 4.48Å; L439-V442 HydrophobicContact CD2-CG2 3.75Å; L439-V442 HydrophobicContact CG-CG2 4.26Å; L439-V442 PolarHBondContact O-N 3.21Å; L439-S443 PolarHBondContact O-N 3.35Å; L439-S443 PolarHBondContact O-OG 3.39Å; L439-S443 VanDerWaalsContact O-OG 3.14Å; L439-E478 HydrophobicContact CD1-CG 3.94Å; L439-L497 HydrophobicContact CD2-CD2 4.04Å | ||
| 440 | P | 87.1 | Confident | 93.2 | Very high | 58 Ų | 58 | 32 Ų | 32 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.9 | -37.6 | -171.6 | -29.2 | 37.5 | 0 | 0 | 0 | 114.3 | F438 V442 G444 L445 | F438-P440 WeakPolarHBondContact O-CD 3.34Å; P440-V442 PolarHBondContact O-N 2.93Å; P440-G444 VanDerWaalsContact O-CA 3.25Å; P440-G444 WeakPolarHBondContact O-CA 3.45Å; P440-G444 PolarHBondContact O-N 2.77Å; P440-L445 WeakPolarHBondContact CB-O 3.2Å |
| 441 | A | 82 | Confident | 93.2 | Very high | 57 Ų | 57 | 29 Ų | 29 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.6 | -17.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | L439 H481 | L439-A441 VanDerWaalsContact C-N 3.28Å; L439-A441 PolarHBondContact O-N 2.75Å; L439-A441 VanDerWaalsContact O-N 3.16Å; A441-H481 VanDerWaalsContact CB-CE1 3.46Å; A441-H481 WeakPolarHBondContact CB-CE1 3.36Å; A441-H481 WeakPolarHBondContact CB-NE2 3.28Å |
| 442 | V | 86 | Confident | 93.2 | Very high | 79 Ų | 79 | 26.6 Ų | 26.6 | 48% | 0.479 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -105.9 | -48.8 | 177.3 | 176 | 0 | 0 | 0 | 0 | 110.6 | N436 L439 P440 | N436-V442 HydrophobicContact CB-CG1 4.11Å; L439-V442 HydrophobicContact CB-CB 4.44Å; L439-V442 HydrophobicContact CD2-CB 4.48Å; L439-V442 HydrophobicContact CD2-CG2 3.75Å; L439-V442 HydrophobicContact CG-CG2 4.26Å; L439-V442 PolarHBondContact O-N 3.21Å; P440-V442 PolarHBondContact O-N 2.93Å |
| 443 | S | 83.8 | Confident | 93.4 | Very high | 15 Ų | 15 | 23 Ų | 23 | 11% | 0.105 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -78.9 | -25.8 | -174.7 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | K379 L437 L439 L445 | K379-S443 WeakPolarHBondContact CE-O 3.49Å; K379-S443 PolarHBondContact NZ-O 3.35Å; L437-S443 WeakPolarHBondContact O-CB 3.23Å; L437-S443 PolarHBondContact O-OG 2.94Å; L439-S443 PolarHBondContact O-N 3.35Å; L439-S443 PolarHBondContact O-OG 3.39Å; L439-S443 VanDerWaalsContact O-OG 3.14Å; S443-L445 PolarHBondContact O-N 3.09Å; S443-L445 WeakPolarHBondContact OG-CB 3.27Å; S443-L445 PolarHBondContact OG-N 2.78Å |
| 444 | G | 86.1 | Confident | 93.5 | Very high | 45 Ų | 45 | 20.3 Ų | 20.3 | 46% | 0.464 | 13% | 0.134 | S | C | . | . | trans | 60.2 | 30.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P440 | P440-G444 VanDerWaalsContact O-CA 3.25Å; P440-G444 WeakPolarHBondContact O-CA 3.45Å; P440-G444 PolarHBondContact O-N 2.77Å | ||
| 445 | L | 86.5 | Confident | 93.6 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | trans | -103 | 143.5 | 173.9 | -63.9 | 175.2 | 0 | 0 | 0 | 109.8 | K379 V383 L437 P440 S443 D449 I453 | K379-L445 HydrophobicContact CG-CD2 4.11Å; V383-L445 HydrophobicContact CG1-CD1 4.27Å; V383-L445 HydrophobicContact CG2-CD2 4.31Å; L437-L445 HydrophobicContact CB-CD1 4.33Å; L437-L445 HydrophobicContact CD2-CD1 4.33Å; P440-L445 WeakPolarHBondContact CB-O 3.2Å; S443-L445 PolarHBondContact O-N 3.09Å; S443-L445 WeakPolarHBondContact OG-CB 3.27Å; S443-L445 PolarHBondContact OG-N 2.78Å; L445-D449 HydrophobicContact CB-CB 4.09Å; L445-D449 HydrophobicContact CD2-CB 4.09Å; L445-I453 HydrophobicContact CD1-CD1 3.71Å | ||
| 446 | S | 92.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 20.6 Ų | 20.6 | 20% | 0.203 | 14% | 0.137 | C | C | . | . | trans | -73.4 | 166.6 | 168.4 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | V448 D449 Y450 D697 | S446-V448 VanDerWaalsContact C-N 3.27Å; S446-V448 PolarHBondContact O-N 3.4Å; S446-D449 WeakPolarHBondContact CB-OD2 3.32Å; S446-D449 PolarHBondContact N-OD2 3.25Å; S446-D449 VanDerWaalsContact N-OD2 3.08Å; S446-D449 PolarHBondContact O-N 3.43Å; S446-D449 PolarHBondContact OG-N 3.32Å; S446-D449 VanDerWaalsContact OG-N 3.09Å; S446-D449 PolarHBondContact OG-OD2 3.15Å; S446-Y450 PolarHBondContact O-N 3.01Å; S446-D697 WeakPolarHBondContact CB-OD2 3.48Å | ||
| 447 | N | 94.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 20.2 Ų | 20.2 | 12% | 0.123 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.1 | -36.4 | 173.1 | -66.5 | -81.9 | 0 | 0 | 0 | 111 | Y450 A451 A693 M696 D697 | N447-Y450 PolarHBondContact O-N 3.14Å; N447-A451 WeakPolarHBondContact O-CB 3.5Å; N447-A451 PolarHBondContact O-N 3.37Å; N447-A693 HydrophobicContact CB-CB 4.02Å; N447-M696 HydrophobicContact CB-CB 4.37Å; N447-D697 VanDerWaalsContact CB-OD1 3.29Å; N447-D697 WeakPolarHBondContact CB-OD1 3.38Å; N447-D697 PolarHBondContact N-OD1 3.45Å; N447-D697 PolarHBondContact N-OD2 3.1Å; N447-D697 PolarHBondContact ND2-OD1 3.48Å |
| 448 | V | 95.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | F374 S446 Y450 A451 L690 A693 H694 D697 | F374-V448 HydrophobicContact CB-CG1 4.47Å; S446-V448 VanDerWaalsContact C-N 3.27Å; S446-V448 PolarHBondContact O-N 3.4Å; V448-Y450 PolarHBondContact O-N 3.33Å; V448-A451 WeakPolarHBondContact O-CB 3.18Å; V448-A451 PolarHBondContact O-N 3.25Å; V448-L690 HydrophobicContact CG1-CD2 4.49Å; V448-A693 HydrophobicContact CG2-CB 4.05Å; V448-H694 HydrophobicContact CG2-CB 3.78Å; V448-D697 WeakPolarHBondContact CG2-OD2 3.41Å; V448-D697 PolarHBondContact N-OD2 2.83Å |
| 449 | D | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 177.2 | -63.8 | -41.6 | 0 | 0 | 0 | 111.3 | Q376 T377 L445 S446 A451 | Q376-D449 WeakPolarHBondContact CG-OD1 3.38Å; T377-D449 VanDerWaalsContact CG2-OD2 3.26Å; T377-D449 WeakPolarHBondContact CG2-OD2 3.25Å; T377-D449 PolarHBondContact N-OD1 3.34Å; T377-D449 PolarHBondContact OG1-OD1 3.04Å; T377-D449 VanDerWaalsContact OG1-OD1 3.13Å; T377-D449 PolarHBondContact OG1-OD2 2.94Å; L445-D449 HydrophobicContact CB-CB 4.09Å; L445-D449 HydrophobicContact CD2-CB 4.09Å; S446-D449 WeakPolarHBondContact CB-OD2 3.32Å; S446-D449 PolarHBondContact N-OD2 3.25Å; S446-D449 VanDerWaalsContact N-OD2 3.08Å; S446-D449 PolarHBondContact O-N 3.43Å; S446-D449 PolarHBondContact OG-N 3.32Å; S446-D449 VanDerWaalsContact OG-N 3.09Å; S446-D449 PolarHBondContact OG-OD2 3.15Å; D449-A451 VanDerWaalsContact C-N 3.33Å; D449-A451 PolarHBondContact O-N 3.4Å |
| 450 | Y | 98.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.9 | -31.4 | 179.9 | -175.9 | -115.8 | 0 | 0 | 0 | 112.6 | L437 F438 S446 N447 V448 L452 I453 A454 C469 H635 M638 | L437-Y450 HydrophobicContact CB-CD2 4.11Å; L437-Y450 HydrophobicContact CB-CE2 3.99Å; F438-Y450 HydrophobicContact CB-CD1 4.26Å; F438-Y450 HydrophobicContact CB-CD2 4.46Å; F438-Y450 HydrophobicContact CB-CE1 3.58Å; F438-Y450 HydrophobicContact CB-CE2 3.83Å; F438-Y450 WeakPolarHBondContact CB-OH 3.39Å; S446-Y450 PolarHBondContact O-N 3.01Å; N447-Y450 PolarHBondContact O-N 3.14Å; V448-Y450 PolarHBondContact O-N 3.33Å; Y450-L452 VanDerWaalsContact C-N 3.31Å; Y450-L452 PolarHBondContact O-N 3.48Å; Y450-I453 HydrophobicContact CD2-CB 4.33Å; Y450-I453 HydrophobicContact CD2-CG2 4.31Å; Y450-I453 HydrophobicContact CE2-CG2 4.36Å; Y450-I453 PolarHBondContact O-N 3.16Å; Y450-I453 VanDerWaalsContact O-N 3.1Å; Y450-A454 HydrophobicContact CD1-CB 4.37Å; Y450-A454 HydrophobicContact CE1-CB 3.95Å; Y450-A454 HydrophobicContact CE2-CB 4.37Å; Y450-A454 WeakPolarHBondContact O-CB 3.38Å; Y450-A454 PolarHBondContact O-N 3.41Å; Y450-C469 WeakPolarHBondContact OH-CB 3.29Å; Y450-H635 AromaticContact CD1-CD2 3.83Å; Y450-H635 AromaticContact CD1-NE2 3.74Å; Y450-H635 AromaticContact CE1-CD2 3.51Å; Y450-H635 AromaticContact CE1-CG 3.96Å; Y450-H635 AromaticContact CE1-NE2 3.62Å; Y450-M638 HydrophobicContact CD1-SD 4.18Å; Y450-M638 HydrophobicContact CE1-SD 4.45Å |
| 451 | A | 98.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.4 | -45.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N447 V448 D449 E455 M638 L690 A693 | N447-A451 WeakPolarHBondContact O-CB 3.5Å; N447-A451 PolarHBondContact O-N 3.37Å; V448-A451 WeakPolarHBondContact O-CB 3.18Å; V448-A451 PolarHBondContact O-N 3.25Å; D449-A451 VanDerWaalsContact C-N 3.33Å; D449-A451 PolarHBondContact O-N 3.4Å; A451-E455 WeakPolarHBondContact O-CB 3.28Å; A451-E455 PolarHBondContact O-N 3.25Å; A451-M638 VanDerWaalsContact CA-SD 3.59Å; A451-M638 HydrophobicContact CB-CE 3.51Å; A451-M638 HydrophobicContact CB-CG 3.91Å; A451-M638 HydrophobicContact CB-SD 4.06Å; A451-L690 HydrophobicContact CB-CD2 3.83Å; A451-A693 HydrophobicContact CB-CB 4.24Å |
| 452 | L | 97.9 | Very high | 95.1 | Very high | 41 Ų | 41 | 20.3 Ų | 20.3 | 22% | 0.215 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.3 | -33.7 | 179 | -64 | 169.7 | 0 | 0 | 0 | 112 | Q376 L384 Y450 E456 L690 | Q376-L452 HydrophobicContact CG-CD1 4.23Å; L384-L452 HydrophobicContact CD1-CB 4.32Å; L384-L452 HydrophobicContact CD2-CB 3.93Å; L384-L452 HydrophobicContact CD2-CD1 4.35Å; Y450-L452 VanDerWaalsContact C-N 3.31Å; Y450-L452 PolarHBondContact O-N 3.48Å; L452-E456 PolarHBondContact O-N 3.48Å; L452-L690 HydrophobicContact CD2-CD2 4.12Å; L452-L690 HydrophobicContact CG-CD2 4.17Å |
| 453 | I | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.6 | -47.5 | 175.3 | -69 | 162.5 | 0 | 0 | 0 | 110.2 | V383 L384 V387 L437 L445 Y450 E455 E456 T457 | V383-I453 HydrophobicContact CB-CD1 4.18Å; V383-I453 HydrophobicContact CG1-CD1 3.68Å; L384-I453 HydrophobicContact CB-CG1 4.11Å; L384-I453 HydrophobicContact CD1-CG1 4.04Å; V387-I453 HydrophobicContact CG1-CG2 4.33Å; V387-I453 HydrophobicContact CG2-CG2 4.04Å; L437-I453 HydrophobicContact CD1-CG2 3.92Å; L445-I453 HydrophobicContact CD1-CD1 3.71Å; Y450-I453 HydrophobicContact CD2-CB 4.33Å; Y450-I453 HydrophobicContact CD2-CG2 4.31Å; Y450-I453 HydrophobicContact CE2-CG2 4.36Å; Y450-I453 PolarHBondContact O-N 3.16Å; Y450-I453 VanDerWaalsContact O-N 3.1Å; I453-E455 VanDerWaalsContact C-N 3.29Å; I453-E455 PolarHBondContact O-N 2.86Å; I453-E456 WeakPolarHBondContact O-CB 3.33Å; I453-E456 PolarHBondContact O-N 3.19Å; I453-T457 WeakPolarHBondContact O-CG2 3.42Å; I453-T457 PolarHBondContact O-N 2.7Å |
| 454 | A | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -35.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y450 E456 T457 G458 M638 R639 | Y450-A454 HydrophobicContact CD1-CB 4.37Å; Y450-A454 HydrophobicContact CE1-CB 3.95Å; Y450-A454 HydrophobicContact CE2-CB 4.37Å; Y450-A454 WeakPolarHBondContact O-CB 3.38Å; Y450-A454 PolarHBondContact O-N 3.41Å; A454-E456 VanDerWaalsContact C-N 3.33Å; A454-E456 PolarHBondContact O-N 3.48Å; A454-T457 PolarHBondContact O-N 3.43Å; A454-T457 PolarHBondContact O-OG1 2.75Å; A454-G458 PolarHBondContact O-N 3.44Å; A454-M638 HydrophobicContact CB-CB 3.6Å; A454-M638 HydrophobicContact CB-CG 4.36Å; A454-M638 HydrophobicContact CB-SD 4.05Å; A454-R639 HydrophobicContact CB-CG 4.45Å; A454-R639 WeakPolarHBondContact O-CG 3.28Å |
| 455 | E | 98.8 | Very high | 97 | Very high | 17 Ų | 17 | 14.2 Ų | 14.2 | 8% | 0.079 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.5 | -45.1 | 169.6 | 179.8 | 177.1 | 158.2 | 0 | 0 | 111.5 | A451 I453 G458 M638 V641 G642 R686 | A451-E455 WeakPolarHBondContact O-CB 3.28Å; A451-E455 PolarHBondContact O-N 3.25Å; I453-E455 VanDerWaalsContact C-N 3.29Å; I453-E455 PolarHBondContact O-N 2.86Å; E455-G458 PolarHBondContact O-N 2.72Å; E455-M638 WeakPolarHBondContact CA-O 3.44Å; E455-V641 VanDerWaalsContact CD-CG1 3.42Å; E455-V641 HydrophobicContact CG-CB 4Å; E455-V641 HydrophobicContact CG-CG1 3.9Å; E455-G642 WeakPolarHBondContact O-CA 3.35Å; E455-R686 IonicContact OE1-CZ 3.44Å; E455-R686 VanDerWaalsContact OE1-CZ 3.3Å; E455-R686 IonicContact OE1-NE 3.91Å; E455-R686 PolarHBondContact OE1-NE 3.07Å; E455-R686 IonicContact OE1-NH2 3.62Å; E455-R686 PolarHBondContact OE1-NH2 3.2Å; E455-R686 IonicContact OE2-NE 2.8Å; E455-R686 PolarHBondContact OE2-NE 3.33Å |
| 456 | E | 98.6 | Very high | 97.6 | Very high | 24 Ų | 24 | 13.9 Ų | 13.9 | 11% | 0.112 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 175.8 | -68.2 | -61.1 | 147.5 | 0 | 0 | 112.6 | L384 V387 K388 L452 I453 A454 G458 K459 | L384-E456 HydrophobicContact CD1-CG 3.78Å; V387-E456 HydrophobicContact CG1-CB 4.29Å; K388-E456 VanDerWaalsContact CE-CD 3.42Å; K388-E456 WeakPolarHBondContact CE-OE1 3.31Å; K388-E456 HydrophobicContact CG-CG 3.87Å; K388-E456 IonicContact NZ-OE1 3.65Å; L452-E456 PolarHBondContact O-N 3.48Å; I453-E456 WeakPolarHBondContact O-CB 3.33Å; I453-E456 PolarHBondContact O-N 3.19Å; A454-E456 VanDerWaalsContact C-N 3.33Å; A454-E456 PolarHBondContact O-N 3.48Å; E456-G458 PolarHBondContact O-N 3.27Å; E456-K459 WeakPolarHBondContact O-CB 3.37Å; E456-K459 PolarHBondContact O-N 3.25Å; E456-K459 IonicContact OE1-NZ 2.74Å; E456-K459 PolarHBondContact OE1-NZ 3.03Å; E456-K459 WeakPolarHBondContact OE2-CE 3.21Å; E456-K459 IonicContact OE2-NZ 3.3Å; E456-K459 PolarHBondContact OE2-NZ 3.11Å |
| 457 | T | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.3 | -27.4 | 176.2 | 71.1 | 0 | 0 | 0 | 0 | 112.5 | I453 A454 K459 C460 F467 | I453-T457 WeakPolarHBondContact O-CG2 3.42Å; I453-T457 PolarHBondContact O-N 2.7Å; A454-T457 PolarHBondContact O-N 3.43Å; A454-T457 PolarHBondContact O-OG1 2.75Å; T457-K459 PolarHBondContact O-N 2.98Å; T457-K459 VanDerWaalsContact O-N 3.11Å; T457-C460 PolarHBondContact O-N 2.86Å; T457-F467 HydrophobicContact CG2-CD2 3.72Å; T457-F467 HydrophobicContact CG2-CE2 4.01Å |
| 458 | G | 98.4 | Very high | 98.1 | Very high | 15 Ų | 15 | 11.6 Ų | 11.6 | 16% | 0.155 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -10.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A454 E455 E456 C460 R639 L643 | A454-G458 PolarHBondContact O-N 3.44Å; E455-G458 PolarHBondContact O-N 2.72Å; E456-G458 PolarHBondContact O-N 3.27Å; G458-C460 VanDerWaalsContact C-N 3.32Å; G458-R639 WeakPolarHBondContact CA-O 3.38Å; G458-L643 WeakPolarHBondContact O-CA 3.25Å; G458-L643 PolarHBondContact O-N 3.11Å |
| 459 | K | 98.3 | Very high | 98.3 | Very high | 58 Ų | 58 | 11.4 Ų | 11.4 | 25% | 0.252 | 6% | 0.059 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13 | 179.5 | -62 | 174.8 | -174.8 | 174 | 0 | 113.5 | E456 T457 | E456-K459 WeakPolarHBondContact O-CB 3.37Å; E456-K459 PolarHBondContact O-N 3.25Å; E456-K459 IonicContact OE1-NZ 2.74Å; E456-K459 PolarHBondContact OE1-NZ 3.03Å; E456-K459 WeakPolarHBondContact OE2-CE 3.21Å; E456-K459 IonicContact OE2-NZ 3.3Å; E456-K459 PolarHBondContact OE2-NZ 3.11Å; T457-K459 PolarHBondContact O-N 2.98Å; T457-K459 VanDerWaalsContact O-N 3.11Å |
| 460 | C | 97.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 3% | 0.027 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -144 | 130.8 | -178.7 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | M391 I395 L396 E399 T457 G458 F462 A463 | M391-C460 HydrophobicContact CE-CB 3.89Å; I395-C460 HydrophobicContact CG2-CB 4.18Å; L396-C460 HydrophobicContact CD2-CB 4.37Å; E399-C460 PolarHBondContact OE1-SG 3.31Å; T457-C460 PolarHBondContact O-N 2.86Å; G458-C460 VanDerWaalsContact C-N 3.32Å; C460-F462 VanDerWaalsContact C-N 3.3Å; C460-F462 PolarHBondContact O-N 3.46Å; C460-F462 VanDerWaalsContact SG-CD1 3.59Å; C460-F462 WeakPolarHBondContact SG-CE1 3.31Å; C460-A463 HydrophobicContact CB-CB 4.05Å; C460-A463 WeakPolarHBondContact O-CB 3.49Å; C460-A463 PolarHBondContact O-N 3.22Å |
| 461 | F | 96.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 13.4 Ų | 13.4 | 24% | 0.241 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -29.7 | -166.6 | 70.8 | -86.1 | 0 | 0 | 0 | 114.4 | V402 I403 F595 H596 | V402-F461 HydrophobicContact CB-CZ 4.43Å; V402-F461 HydrophobicContact CG1-CE2 4.13Å; V402-F461 HydrophobicContact CG1-CZ 3.68Å; I403-F461 HydrophobicContact CG1-CE1 3.81Å; I403-F461 HydrophobicContact CG1-CZ 4.45Å; F461-F595 AromaticContact CD2-CD1 3.92Å; F461-F595 HydrophobicContact CD2-CD1 3.92Å; F461-F595 HydrophobicContact CD2-CE1 4.04Å; F461-F595 HydrophobicContact CD2-CG 4.41Å; F461-F595 AromaticContact CE2-CD1 3.74Å; F461-F595 HydrophobicContact CE2-CD1 3.74Å; F461-F595 AromaticContact CE2-CD2 3.99Å; F461-F595 HydrophobicContact CE2-CD2 3.99Å; F461-F595 AromaticContact CE2-CE1 3.88Å; F461-F595 HydrophobicContact CE2-CE1 3.88Å; F461-F595 HydrophobicContact CE2-CE2 4.11Å; F461-F595 AromaticContact CE2-CG 3.81Å; F461-F595 HydrophobicContact CE2-CG 3.81Å; F461-F595 HydrophobicContact CE2-CZ 4.08Å; F461-H596 PolarHBondContact O-NE2 3.23Å |
| 462 | F | 97.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -2 | 179.9 | 62.9 | -91.4 | 0 | 0 | 0 | 114.4 | I395 A398 E399 V402 I422 L425 C460 D465 V466 F595 | I395-F462 HydrophobicContact CB-CE2 4.4Å; I395-F462 HydrophobicContact CG2-CD2 4.31Å; I395-F462 HydrophobicContact CG2-CE2 3.61Å; I395-F462 HydrophobicContact CG2-CZ 3.91Å; I395-F462 WeakPolarHBondContact O-CZ 3.45Å; A398-F462 HydrophobicContact CB-CZ 4.46Å; E399-F462 HydrophobicContact CB-CE1 4.25Å; E399-F462 HydrophobicContact CB-CZ 4.35Å; E399-F462 HydrophobicContact CG-CE1 4.41Å; V402-F462 HydrophobicContact CB-CD1 4.04Å; V402-F462 HydrophobicContact CB-CE1 3.78Å; V402-F462 HydrophobicContact CB-CZ 4.23Å; V402-F462 HydrophobicContact CG1-CD1 3.69Å; V402-F462 HydrophobicContact CG1-CE1 3.98Å; V402-F462 HydrophobicContact CG1-CG 4.13Å; V402-F462 HydrophobicContact CG2-CD1 4.43Å; V402-F462 HydrophobicContact CG2-CE1 4.05Å; V402-F462 HydrophobicContact CG2-CE2 4.3Å; V402-F462 HydrophobicContact CG2-CZ 3.98Å; I422-F462 HydrophobicContact CD1-CB 4.02Å; I422-F462 HydrophobicContact CD1-CD2 3.48Å; I422-F462 VanDerWaalsContact CD1-CD2 3.48Å; I422-F462 HydrophobicContact CD1-CE2 4.12Å; I422-F462 HydrophobicContact CD1-CG 3.89Å; L425-F462 HydrophobicContact CD1-CE2 4.06Å; C460-F462 VanDerWaalsContact C-N 3.3Å; C460-F462 PolarHBondContact O-N 3.46Å; C460-F462 VanDerWaalsContact SG-CD1 3.59Å; C460-F462 WeakPolarHBondContact SG-CE1 3.31Å; F462-D465 WeakPolarHBondContact O-CB 3.49Å; F462-D465 PolarHBondContact O-N 3.11Å; F462-V466 HydrophobicContact CD2-CG2 4.16Å; F462-V466 PolarHBondContact O-N 2.82Å; F462-F595 HydrophobicContact CB-CE1 3.5Å; F462-F595 VanDerWaalsContact CB-CE1 3.5Å; F462-F595 HydrophobicContact CB-CE2 4.39Å; F462-F595 HydrophobicContact CB-CZ 3.32Å; F462-F595 HydrophobicContact CG-CZ 4.31Å |
| 463 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M391 I395 C460 D465 V466 F467 | M391-A463 HydrophobicContact CE-CB 3.98Å; M391-A463 HydrophobicContact SD-CB 3.64Å; I395-A463 HydrophobicContact CD1-CB 4.14Å; I395-A463 HydrophobicContact CG2-CB 4.07Å; C460-A463 HydrophobicContact CB-CB 4.05Å; C460-A463 WeakPolarHBondContact O-CB 3.49Å; C460-A463 PolarHBondContact O-N 3.22Å; A463-D465 VanDerWaalsContact C-N 3.26Å; A463-D465 PolarHBondContact O-N 3.24Å; A463-V466 PolarHBondContact O-N 3.06Å; A463-F467 VanDerWaalsContact O-CD2 3.28Å; A463-F467 WeakPolarHBondContact O-CD2 3.39Å; A463-F467 PolarHBondContact O-N 2.69Å |
| 464 | P | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 12.7 Ų | 12.7 | 6% | 0.058 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.1 | -39.8 | 174.7 | -26.2 | 36.4 | 0 | 0 | 0 | 112.7 | V466 F467 N468 C469 Q470 | P464-V466 VanDerWaalsContact C-N 3.34Å; P464-V466 PolarHBondContact O-N 2.98Å; P464-F467 PolarHBondContact O-N 3.44Å; P464-N468 PolarHBondContact O-N 3.23Å; P464-C469 WeakPolarHBondContact O-CA 3.48Å; P464-C469 PolarHBondContact O-N 3.46Å; P464-Q470 HydrophobicContact CB-CB 4.19Å |
| 465 | D | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 178.4 | -59.7 | -109.5 | 0 | 0 | 0 | 112.5 | R418 K426 F462 A463 F467 N468 H596 | R418-D465 IonicContact CZ-OD1 3.03Å; R418-D465 IonicContact NE-OD1 3.79Å; R418-D465 PolarHBondContact NE-OD1 2.97Å; R418-D465 IonicContact NH2-OD1 2.84Å; R418-D465 PolarHBondContact NH2-OD1 3.2Å; K426-D465 WeakPolarHBondContact CE-O 3.38Å; F462-D465 WeakPolarHBondContact O-CB 3.49Å; F462-D465 PolarHBondContact O-N 3.11Å; A463-D465 VanDerWaalsContact C-N 3.26Å; A463-D465 PolarHBondContact O-N 3.24Å; D465-F467 PolarHBondContact O-N 3.45Å; D465-N468 PolarHBondContact O-N 3.35Å; D465-N468 VanDerWaalsContact O-N 3.12Å; D465-H596 IonicContact OD2-CD2 3.75Å |
| 466 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.4 | -32.3 | -179.2 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | F390 I395 L425 A429 W435 F462 A463 P464 | F390-V466 HydrophobicContact CE1-CG1 3.78Å; F390-V466 HydrophobicContact CZ-CG1 4.34Å; I395-V466 HydrophobicContact CD1-CB 4.17Å; I395-V466 HydrophobicContact CD1-CG1 4Å; I395-V466 HydrophobicContact CD1-CG2 4.45Å; I395-V466 HydrophobicContact CG1-CG1 4.37Å; I395-V466 HydrophobicContact CG1-CG2 4.49Å; L425-V466 HydrophobicContact CB-CG1 3.84Å; L425-V466 HydrophobicContact CB-CG2 3.83Å; L425-V466 HydrophobicContact CD1-CG2 4.1Å; A429-V466 HydrophobicContact CB-CG1 4.03Å; A429-V466 WeakPolarHBondContact CB-O 3.48Å; W435-V466 VanDerWaalsContact CZ3-O 3.22Å; W435-V466 WeakPolarHBondContact CZ3-O 3.5Å; F462-V466 HydrophobicContact CD2-CG2 4.16Å; F462-V466 PolarHBondContact O-N 2.82Å; A463-V466 PolarHBondContact O-N 3.06Å; P464-V466 VanDerWaalsContact C-N 3.34Å; P464-V466 PolarHBondContact O-N 2.98Å |
| 467 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 10.2 | 178.7 | -53.9 | -57 | 0 | 0 | 0 | 113.6 | V387 F390 M391 I395 A429 L434 N436 L437 T457 A463 P464 D465 C469 | V387-F467 HydrophobicContact CG1-CE2 4.06Å; V387-F467 HydrophobicContact CG1-CZ 4.18Å; F390-F467 HydrophobicContact CB-CZ 4.41Å; F390-F467 AromaticContact CD1-CE1 3.75Å; F390-F467 HydrophobicContact CD1-CE1 3.75Å; F390-F467 AromaticContact CD1-CZ 3.69Å; F390-F467 HydrophobicContact CD1-CZ 3.69Å; F390-F467 HydrophobicContact CE1-CE1 4.11Å; F390-F467 HydrophobicContact CE1-CZ 4.34Å; F390-F467 HydrophobicContact CG-CE1 4.14Å; F390-F467 HydrophobicContact CG-CZ 4.25Å; M391-F467 HydrophobicContact SD-CE2 4.21Å; I395-F467 HydrophobicContact CD1-CE1 4.42Å; I395-F467 HydrophobicContact CD1-CE2 3.67Å; I395-F467 HydrophobicContact CD1-CZ 3.55Å; A429-F467 HydrophobicContact CB-CD1 3.9Å; A429-F467 HydrophobicContact CB-CE1 4.12Å; L434-F467 HydrophobicContact CB-CD1 3.81Å; L434-F467 HydrophobicContact CB-CE1 3.89Å; L434-F467 HydrophobicContact CD1-CE1 4.02Å; L434-F467 VanDerWaalsContact O-CD1 3.26Å; L434-F467 WeakPolarHBondContact O-CD1 3.34Å; N436-F467 PolarHBondContact N-O 2.95Å; N436-F467 VanDerWaalsContact N-O 3.1Å; L437-F467 HydrophobicContact CD1-CB 4.5Å; T457-F467 HydrophobicContact CG2-CD2 3.72Å; T457-F467 HydrophobicContact CG2-CE2 4.01Å; A463-F467 VanDerWaalsContact O-CD2 3.28Å; A463-F467 WeakPolarHBondContact O-CD2 3.39Å; A463-F467 PolarHBondContact O-N 2.69Å; P464-F467 PolarHBondContact O-N 3.44Å; D465-F467 PolarHBondContact O-N 3.45Å; F467-C469 VanDerWaalsContact C-N 3.31Å; F467-C469 PolarHBondContact O-N 3.34Å; F467-C469 PolarHBondContact O-SG 2.9Å |
| 468 | N | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 43.1 | -173.8 | -152.8 | 39.8 | 0 | 0 | 0 | 114.1 | W435 N436 F438 P464 D465 L496 | W435-N468 HydrophobicContact CD2-CB 3.81Å; W435-N468 VanDerWaalsContact CE2-CB 3.49Å; W435-N468 HydrophobicContact CE3-CB 4.01Å; W435-N468 HydrophobicContact CH2-CB 3.66Å; W435-N468 HydrophobicContact CZ2-CB 3.42Å; W435-N468 VanDerWaalsContact CZ2-CB 3.42Å; W435-N468 HydrophobicContact CZ3-CB 3.95Å; N436-N468 WeakPolarHBondContact OD1-CB 3.44Å; N436-N468 PolarHBondContact OD1-ND2 3.35Å; F438-N468 WeakPolarHBondContact CE1-O 3.45Å; P464-N468 PolarHBondContact O-N 3.23Å; D465-N468 PolarHBondContact O-N 3.35Å; D465-N468 VanDerWaalsContact O-N 3.12Å; N468-L496 PolarHBondContact ND2-O 3.13Å |
| 469 | C | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.007 | 6% | 0.061 | C | C | . | . | trans | -118 | 13 | -174.9 | -73.7 | 0 | 0 | 0 | 0 | 112.7 | Y450 P464 F467 T474 R639 | Y450-C469 WeakPolarHBondContact OH-CB 3.29Å; P464-C469 WeakPolarHBondContact O-CA 3.48Å; P464-C469 PolarHBondContact O-N 3.46Å; F467-C469 VanDerWaalsContact C-N 3.31Å; F467-C469 PolarHBondContact O-N 3.34Å; F467-C469 PolarHBondContact O-SG 2.9Å; C469-T474 WeakPolarHBondContact O-CG2 3.26Å; C469-R639 PolarHBondContact O-NH1 3.05Å | ||
| 470 | Q | 98.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 8.2 Ų | 8.2 | 4% | 0.037 | 5% | 0.05 | C | C | . | . | trans | -77.6 | 145.2 | -179.1 | 75.4 | -69.9 | -12.8 | 0 | 0 | 113.2 | P464 D473 T474 | P464-Q470 HydrophobicContact CB-CB 4.19Å; Q470-D473 PolarHBondContact NE2-OD2 2.91Å; Q470-D473 PolarHBondContact O-N 2.89Å; Q470-T474 WeakPolarHBondContact O-CG2 3.04Å; Q470-T474 PolarHBondContact O-N 3.11Å; Q470-T474 VanDerWaalsContact O-N 3.13Å; Q470-T474 PolarHBondContact O-OG1 3.5Å | ||
| 471 | A | 97.4 | Very high | 97.5 | Very high | 39 Ų | 39 | 11 Ų | 11 | 32% | 0.322 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 150.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 472 | P | 97.8 | Very high | 97.2 | Very high | 22 Ų | 22 | 13.3 Ų | 13.3 | 14% | 0.143 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.5 | -1.2 | 3.1 | 36.7 | -37.6 | 0 | 0 | 0 | 114.4 | T474 G475 N476 S503 R628 | P472-T474 PolarHBondContact O-N 3.31Å; P472-G475 PolarHBondContact O-N 3.42Å; P472-N476 PolarHBondContact O-N 2.8Å; P472-N476 VanDerWaalsContact O-N 3.12Å; P472-S503 WeakPolarHBondContact CG-O 3.42Å; P472-R628 PolarHBondContact O-NH2 3.01Å |
| 473 | D | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 3% | 0.027 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | -171.6 | -67.2 | -52 | 0 | 0 | 0 | 113.2 | Q470 G475 N476 M477 T502 S503 | Q470-D473 PolarHBondContact NE2-OD2 2.91Å; Q470-D473 PolarHBondContact O-N 2.89Å; D473-G475 PolarHBondContact O-N 3.03Å; D473-N476 PolarHBondContact O-N 3.44Å; D473-N476 VanDerWaalsContact O-N 3.14Å; D473-M477 HydrophobicContact CB-CE 4.18Å; D473-M477 WeakPolarHBondContact O-CB 3.32Å; D473-M477 WeakPolarHBondContact O-CG 3.48Å; D473-M477 PolarHBondContact O-N 3.32Å; D473-T502 WeakPolarHBondContact OD1-CA 3.42Å; D473-S503 PolarHBondContact OD1-N 2.79Å; D473-S503 PolarHBondContact OD1-OG 2.89Å |
| 474 | T | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.018 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 177.6 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | F438 C469 Q470 P472 N476 M477 E478 | F438-T474 HydrophobicContact CB-CG2 4.34Å; F438-T474 HydrophobicContact CD1-CG2 3.53Å; F438-T474 HydrophobicContact CD2-CG2 3.7Å; F438-T474 HydrophobicContact CE1-CG2 3.66Å; F438-T474 HydrophobicContact CE2-CG2 3.81Å; F438-T474 WeakPolarHBondContact CE2-O 3.47Å; F438-T474 HydrophobicContact CG-CG2 3.57Å; F438-T474 HydrophobicContact CZ-CG2 3.81Å; C469-T474 WeakPolarHBondContact O-CG2 3.26Å; Q470-T474 WeakPolarHBondContact O-CG2 3.04Å; Q470-T474 PolarHBondContact O-N 3.11Å; Q470-T474 VanDerWaalsContact O-N 3.13Å; Q470-T474 PolarHBondContact O-OG1 3.5Å; P472-T474 PolarHBondContact O-N 3.31Å; T474-N476 VanDerWaalsContact C-N 3.35Å; T474-N476 PolarHBondContact O-N 3.44Å; T474-M477 HydrophobicContact CG2-CE 4.4Å; T474-M477 PolarHBondContact O-N 3.14Å; T474-E478 PolarHBondContact O-N 3.33Å |
| 475 | G | 94.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 6% | 0.062 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P472 D473 E478 V479 | P472-G475 PolarHBondContact O-N 3.42Å; D473-G475 PolarHBondContact O-N 3.03Å; G475-E478 PolarHBondContact O-N 3.27Å; G475-V479 WeakPolarHBondContact O-CG2 3.47Å; G475-V479 PolarHBondContact O-N 2.86Å; G475-V479 VanDerWaalsContact O-N 3.11Å |
| 476 | N | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 175 | -78.1 | -23.3 | 0 | 0 | 0 | 111.9 | P472 D473 T474 V479 L480 S503 C504 I552 R628 | P472-N476 PolarHBondContact O-N 2.8Å; P472-N476 VanDerWaalsContact O-N 3.12Å; D473-N476 PolarHBondContact O-N 3.44Å; D473-N476 VanDerWaalsContact O-N 3.14Å; T474-N476 VanDerWaalsContact C-N 3.35Å; T474-N476 PolarHBondContact O-N 3.44Å; N476-V479 PolarHBondContact O-N 2.69Å; N476-L480 PolarHBondContact O-N 2.87Å; N476-L480 VanDerWaalsContact O-N 3.15Å; N476-S503 WeakPolarHBondContact CB-OG 3.24Å; N476-S503 VanDerWaalsContact ND2-CB 3.27Å; N476-S503 WeakPolarHBondContact ND2-CB 3.4Å; N476-S503 PolarHBondContact ND2-OG 2.89Å; N476-C504 PolarHBondContact ND2-O 3.36Å; N476-I552 HydrophobicContact CB-CD1 3.92Å; N476-I552 WeakPolarHBondContact OD1-CD1 3.45Å; N476-R628 PolarHBondContact OD1-NH1 3.41Å; N476-R628 PolarHBondContact OD1-NH2 3.08Å |
| 477 | M | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 175.4 | -74.7 | -170.7 | -85.5 | 0 | 0 | 111.7 | F438 D473 T474 V479 L480 H481 L493 L496 L497 | F438-M477 HydrophobicContact CE1-CE 3.58Å; F438-M477 HydrophobicContact CE1-SD 4.33Å; F438-M477 HydrophobicContact CE2-CB 4.44Å; F438-M477 HydrophobicContact CZ-CB 3.95Å; F438-M477 HydrophobicContact CZ-CE 3.48Å; F438-M477 VanDerWaalsContact CZ-CE 3.48Å; F438-M477 HydrophobicContact CZ-SD 3.97Å; D473-M477 HydrophobicContact CB-CE 4.18Å; D473-M477 WeakPolarHBondContact O-CB 3.32Å; D473-M477 WeakPolarHBondContact O-CG 3.48Å; D473-M477 PolarHBondContact O-N 3.32Å; T474-M477 HydrophobicContact CG2-CE 4.4Å; T474-M477 PolarHBondContact O-N 3.14Å; M477-V479 PolarHBondContact O-N 2.84Å; M477-L480 PolarHBondContact O-N 2.98Å; M477-H481 VanDerWaalsContact O-CB 3.25Å; M477-H481 WeakPolarHBondContact O-CB 3.44Å; M477-H481 PolarHBondContact O-N 2.7Å; M477-L493 HydrophobicContact CB-CD1 3.86Å; M477-L493 HydrophobicContact CG-CD1 4Å; M477-L493 WeakPolarHBondContact O-CD1 3.32Å; M477-L496 HydrophobicContact CG-CB 3.63Å; M477-L496 HydrophobicContact CG-CD1 4.08Å; M477-L496 HydrophobicContact CG-CG 4.41Å; M477-L496 HydrophobicContact SD-CB 3.84Å; M477-L497 HydrophobicContact SD-CD2 3.72Å; M477-L497 HydrophobicContact SD-CG 4.09Å |
| 478 | E | 94.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 175.3 | -80 | 165.9 | -155.6 | 0 | 0 | 112.9 | F438 L439 T474 G475 L480 H481 L482 P631 H635 | F438-E478 HydrophobicContact CE2-CG 4.11Å; L439-E478 HydrophobicContact CD1-CG 3.94Å; T474-E478 PolarHBondContact O-N 3.33Å; G475-E478 PolarHBondContact O-N 3.27Å; E478-L480 PolarHBondContact O-N 2.77Å; E478-H481 PolarHBondContact O-N 2.82Å; E478-L482 WeakPolarHBondContact O-CB 3.31Å; E478-L482 WeakPolarHBondContact O-CG 3.3Å; E478-L482 PolarHBondContact O-N 3.01Å; E478-P631 WeakPolarHBondContact OE2-CB 3.38Å; E478-P631 VanDerWaalsContact OE2-CG 3.24Å; E478-P631 WeakPolarHBondContact OE2-CG 3.4Å; E478-H635 IonicContact OE1-CE1 3.76Å; E478-H635 PolarHBondContact OE1-CE1 2.77Å; E478-H635 VanDerWaalsContact OE1-CE1 3.32Å |
| 479 | V | 95.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.1 | -49.7 | 175.1 | 167.3 | 0 | 0 | 0 | 0 | 110.7 | G475 N476 M477 H481 Y483 I552 I615 I624 R628 | G475-V479 WeakPolarHBondContact O-CG2 3.47Å; G475-V479 PolarHBondContact O-N 2.86Å; G475-V479 VanDerWaalsContact O-N 3.11Å; N476-V479 PolarHBondContact O-N 2.69Å; M477-V479 PolarHBondContact O-N 2.84Å; V479-H481 VanDerWaalsContact C-N 3.34Å; V479-Y483 HydrophobicContact CG1-CD2 4.38Å; V479-Y483 WeakPolarHBondContact O-CB 3.45Å; V479-Y483 WeakPolarHBondContact O-CD2 3.42Å; V479-Y483 PolarHBondContact O-N 2.74Å; V479-I552 HydrophobicContact CB-CD1 4.09Å; V479-I552 HydrophobicContact CG1-CD1 3.92Å; V479-I615 HydrophobicContact CG1-CD1 3.89Å; V479-I615 HydrophobicContact CG1-CG2 4.12Å; V479-I624 HydrophobicContact CB-CG2 4.47Å; V479-I624 HydrophobicContact CG1-CG2 3.67Å; V479-I624 HydrophobicContact CG2-CG2 4.01Å; V479-R628 HydrophobicContact CG2-CB 3.56Å; V479-R628 HydrophobicContact CG2-CG 3.74Å |
| 480 | L | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.5 | -36.2 | 180 | -70.1 | 169.3 | 0 | 0 | 0 | 112.2 | N476 M477 E478 G484 Q488 K489 W492 L493 L496 L572 | N476-L480 PolarHBondContact O-N 2.87Å; N476-L480 VanDerWaalsContact O-N 3.15Å; M477-L480 PolarHBondContact O-N 2.98Å; E478-L480 PolarHBondContact O-N 2.77Å; L480-G484 VanDerWaalsContact O-CA 3.27Å; L480-G484 WeakPolarHBondContact O-CA 3.21Å; L480-G484 PolarHBondContact O-N 2.84Å; L480-Q488 HydrophobicContact CD2-CB 4.43Å; L480-K489 WeakPolarHBondContact O-CE 3.49Å; L480-W492 HydrophobicContact CD1-CB 3.83Å; L480-L493 HydrophobicContact CB-CB 4.02Å; L480-L493 HydrophobicContact CB-CD1 4.26Å; L480-L493 HydrophobicContact CB-CG 4.49Å; L480-L493 HydrophobicContact CD1-CB 4.26Å; L480-L496 HydrophobicContact CD1-CD1 3.93Å; L480-L572 HydrophobicContact CD2-CD1 3.94Å; L480-L572 HydrophobicContact CD2-CD2 4.02Å |
| 481 | H | 95 | Very high | 96.7 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 30% | 0.296 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.9 | -46.6 | 177.5 | 178.2 | 73 | 0 | 0 | 0 | 111.8 | A441 M477 E478 V479 L493 | A441-H481 VanDerWaalsContact CB-CE1 3.46Å; A441-H481 WeakPolarHBondContact CB-CE1 3.36Å; A441-H481 WeakPolarHBondContact CB-NE2 3.28Å; M477-H481 VanDerWaalsContact O-CB 3.25Å; M477-H481 WeakPolarHBondContact O-CB 3.44Å; M477-H481 PolarHBondContact O-N 2.7Å; E478-H481 PolarHBondContact O-N 2.82Å; V479-H481 VanDerWaalsContact C-N 3.34Å; H481-L493 HydrophobicContact CB-CD2 4.15Å |
| 482 | L | 90.1 | Very high | 96.7 | Very high | 102 Ų | 102 | 43.8 Ų | 43.8 | 53% | 0.534 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -81.3 | -36 | -176.4 | -67.2 | 173.1 | 0 | 0 | 0 | 113.5 | E478 | E478-L482 WeakPolarHBondContact O-CB 3.31Å; E478-L482 WeakPolarHBondContact O-CG 3.3Å; E478-L482 PolarHBondContact O-N 3.01Å |
| 483 | Y | 95.2 | Very high | 96.8 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 18% | 0.184 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -126.7 | -9.1 | -165.1 | -51.2 | -63.2 | 0 | 0 | 0 | 114.6 | V479 L616 I624 | V479-Y483 HydrophobicContact CG1-CD2 4.38Å; V479-Y483 WeakPolarHBondContact O-CB 3.45Å; V479-Y483 WeakPolarHBondContact O-CD2 3.42Å; V479-Y483 PolarHBondContact O-N 2.74Å; Y483-L616 HydrophobicContact CD1-CD2 3.94Å; Y483-L616 HydrophobicContact CE1-CD2 4.47Å; Y483-I624 HydrophobicContact CD2-CB 4.39Å; Y483-I624 HydrophobicContact CD2-CG1 4.15Å; Y483-I624 HydrophobicContact CD2-CG2 3.94Å; Y483-I624 HydrophobicContact CE2-CB 4.46Å; Y483-I624 HydrophobicContact CE2-CG1 4.47Å; Y483-I624 HydrophobicContact CE2-CG2 4.25Å; Y483-I624 HydrophobicContact CG-CG1 4.23Å |
| 484 | G | 96.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | trans | -70.8 | 144.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L480 Q488 K489 | L480-G484 VanDerWaalsContact O-CA 3.27Å; L480-G484 WeakPolarHBondContact O-CA 3.21Å; L480-G484 PolarHBondContact O-N 2.84Å; G484-Q488 VanDerWaalsContact CA-OE1 3.27Å; G484-K489 WeakPolarHBondContact O-CE 3.35Å | ||
| 485 | S | 97.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | trans | -66.6 | 166.3 | 164.2 | 86.1 | 0 | 0 | 0 | 0 | 110.7 | E487 Q488 K489 | S485-E487 VanDerWaalsContact C-N 3.26Å; S485-E487 WeakPolarHBondContact CB-OE2 3.26Å; S485-E487 PolarHBondContact O-N 3.13Å; S485-E487 PolarHBondContact OG-N 2.97Å; S485-E487 PolarHBondContact OG-OE2 3.39Å; S485-Q488 PolarHBondContact O-N 3.11Å; S485-Q488 WeakPolarHBondContact OG-CG 3.23Å; S485-Q488 PolarHBondContact OG-N 3.48Å; S485-K489 WeakPolarHBondContact O-CG 3.5Å; S485-K489 PolarHBondContact O-N 3.09Å | ||
| 486 | E | 97.3 | Very high | 97 | Very high | 128 Ų | 128 | 48.6 Ų | 48.6 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62 | -36.4 | 178.5 | -64.6 | -56.7 | 114 | 0 | 0 | 112 | K489 K490 | E486-K489 PolarHBondContact O-N 3.33Å; E486-K489 IonicContact OE1-NZ 2.72Å; E486-K489 PolarHBondContact OE1-NZ 3.21Å; E486-K490 WeakPolarHBondContact O-CB 3.49Å; E486-K490 PolarHBondContact O-N 2.85Å |
| 487 | E | 97 | Very high | 97 | Very high | 134 Ų | 134 | 50.1 Ų | 50.1 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.7 | -44.4 | 175 | -55.9 | 71.5 | -153.2 | 0 | 0 | 111.1 | S485 K490 Q491 | S485-E487 VanDerWaalsContact C-N 3.26Å; S485-E487 WeakPolarHBondContact CB-OE2 3.26Å; S485-E487 PolarHBondContact O-N 3.13Å; S485-E487 PolarHBondContact OG-N 2.97Å; S485-E487 PolarHBondContact OG-OE2 3.39Å; E487-K490 PolarHBondContact O-N 3.34Å; E487-Q491 VanDerWaalsContact O-CB 3.28Å; E487-Q491 WeakPolarHBondContact O-CB 3.36Å; E487-Q491 PolarHBondContact O-N 2.91Å |
| 488 | Q | 98.4 | Very high | 97 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -41 | 177.1 | -67.6 | 173.1 | -11.1 | 0 | 0 | 111.6 | L480 G484 S485 Q491 W492 L572 T612 L614 | L480-Q488 HydrophobicContact CD2-CB 4.43Å; G484-Q488 VanDerWaalsContact CA-OE1 3.27Å; S485-Q488 PolarHBondContact O-N 3.11Å; S485-Q488 WeakPolarHBondContact OG-CG 3.23Å; S485-Q488 PolarHBondContact OG-N 3.48Å; Q488-Q491 PolarHBondContact O-N 3.31Å; Q488-W492 WeakPolarHBondContact O-CB 3.22Å; Q488-W492 PolarHBondContact O-N 3.14Å; Q488-L572 HydrophobicContact CB-CD1 4.02Å; Q488-L572 HydrophobicContact CG-CD1 3.75Å; Q488-T612 PolarHBondContact NE2-O 3.11Å; Q488-L614 PolarHBondContact NE2-O 3.3Å |
| 489 | K | 97.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 23% | 0.226 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -62.8 | -49.5 | 176.2 | -72.8 | 173.7 | -170.4 | 161.8 | 0 | 110.9 | L480 G484 S485 E486 Q491 W492 L493 E494 | L480-K489 WeakPolarHBondContact O-CE 3.49Å; G484-K489 WeakPolarHBondContact O-CE 3.35Å; S485-K489 WeakPolarHBondContact O-CG 3.5Å; S485-K489 PolarHBondContact O-N 3.09Å; E486-K489 PolarHBondContact O-N 3.33Å; E486-K489 IonicContact OE1-NZ 2.72Å; E486-K489 PolarHBondContact OE1-NZ 3.21Å; K489-Q491 VanDerWaalsContact C-N 3.32Å; K489-Q491 PolarHBondContact O-N 3.11Å; K489-W492 PolarHBondContact O-N 3.03Å; K489-L493 HydrophobicContact CB-CB 4.2Å; K489-L493 HydrophobicContact CB-CD2 4.27Å; K489-L493 HydrophobicContact CD-CD2 4.5Å; K489-L493 HydrophobicContact CG-CB 4.46Å; K489-L493 HydrophobicContact CG-CD2 3.96Å; K489-L493 WeakPolarHBondContact O-CA 3.39Å; K489-L493 VanDerWaalsContact O-CB 3.26Å; K489-L493 WeakPolarHBondContact O-CB 3.48Å; K489-L493 PolarHBondContact O-N 2.83Å; K489-E494 PolarHBondContact O-N 2.83Å |
| 490 | K | 97.7 | Very high | 97.3 | Very high | 145 Ų | 145 | 59 Ų | 59 | 63% | 0.63 | 29% | 0.289 | S | S | * | . | I | π-helix | trans | -60.1 | -42.8 | 178.5 | -172.3 | 176.5 | -178.2 | 178.9 | 0 | 112.1 | E486 E487 | E486-K490 WeakPolarHBondContact O-CB 3.49Å; E486-K490 PolarHBondContact O-N 2.85Å; E487-K490 PolarHBondContact O-N 3.34Å |
| 491 | Q | 98.4 | Very high | 97.4 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -75.3 | -36.2 | -176.5 | -170.7 | 175.9 | -5.8 | 0 | 0 | 113.3 | E487 Q488 K489 P495 | E487-Q491 VanDerWaalsContact O-CB 3.28Å; E487-Q491 WeakPolarHBondContact O-CB 3.36Å; E487-Q491 PolarHBondContact O-N 2.91Å; Q488-Q491 PolarHBondContact O-N 3.31Å; K489-Q491 VanDerWaalsContact C-N 3.32Å; K489-Q491 PolarHBondContact O-N 3.11Å; Q491-P495 WeakPolarHBondContact O-CG 3.13Å |
| 492 | W | 98.8 | Very high | 97.5 | Very high | 26 Ų | 26 | 57.7 Ų | 57.7 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -123.6 | -41.1 | -168.7 | -54.9 | 111.7 | 0 | 0 | 0 | 114.5 | L480 Q488 K489 P495 L496 I501 I550 P574 | L480-W492 HydrophobicContact CD1-CB 3.83Å; Q488-W492 WeakPolarHBondContact O-CB 3.22Å; Q488-W492 PolarHBondContact O-N 3.14Å; K489-W492 PolarHBondContact O-N 3.03Å; W492-P495 WeakPolarHBondContact O-CD 3.42Å; W492-L496 WeakPolarHBondContact O-CB 3.34Å; W492-L496 WeakPolarHBondContact O-CD1 3.4Å; W492-L496 VanDerWaalsContact O-CG 3.25Å; W492-L496 WeakPolarHBondContact O-CG 3.16Å; W492-L496 PolarHBondContact O-N 2.92Å; W492-I501 HydrophobicContact CE3-CD1 3.95Å; W492-I501 HydrophobicContact CZ3-CD1 4.4Å; W492-I550 HydrophobicContact CD2-CB 4.22Å; W492-I550 HydrophobicContact CD2-CD1 3.83Å; W492-I550 HydrophobicContact CD2-CG1 3.79Å; W492-I550 HydrophobicContact CE3-CB 3.68Å; W492-I550 HydrophobicContact CE3-CD1 4Å; W492-I550 HydrophobicContact CE3-CG1 3.79Å; W492-I550 HydrophobicContact CE3-CG2 4.13Å; W492-I550 HydrophobicContact CG-CG1 4.22Å; W492-I550 HydrophobicContact CH2-CD1 3.92Å; W492-I550 HydrophobicContact CZ2-CD1 3.75Å; W492-I550 HydrophobicContact CZ3-CB 3.88Å; W492-I550 HydrophobicContact CZ3-CD1 4.04Å; W492-I550 HydrophobicContact CZ3-CG1 4.2Å; W492-P574 HydrophobicContact CH2-CB 4.18Å; W492-P574 HydrophobicContact CH2-CG 3.97Å; W492-P574 HydrophobicContact CZ2-CG 3.85Å |
| 493 | L | 98.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -69 | -44.9 | -179.6 | 178.8 | 60.6 | 0 | 0 | 0 | 111.3 | M477 L480 H481 K489 L496 L497 | M477-L493 HydrophobicContact CB-CD1 3.86Å; M477-L493 HydrophobicContact CG-CD1 4Å; M477-L493 WeakPolarHBondContact O-CD1 3.32Å; L480-L493 HydrophobicContact CB-CB 4.02Å; L480-L493 HydrophobicContact CB-CD1 4.26Å; L480-L493 HydrophobicContact CB-CG 4.49Å; L480-L493 HydrophobicContact CD1-CB 4.26Å; H481-L493 HydrophobicContact CB-CD2 4.15Å; K489-L493 HydrophobicContact CB-CB 4.2Å; K489-L493 HydrophobicContact CB-CD2 4.27Å; K489-L493 HydrophobicContact CD-CD2 4.5Å; K489-L493 HydrophobicContact CG-CB 4.46Å; K489-L493 HydrophobicContact CG-CD2 3.96Å; K489-L493 WeakPolarHBondContact O-CA 3.39Å; K489-L493 VanDerWaalsContact O-CB 3.26Å; K489-L493 WeakPolarHBondContact O-CB 3.48Å; K489-L493 PolarHBondContact O-N 2.83Å; L493-L496 PolarHBondContact O-N 2.73Å; L493-L497 HydrophobicContact CD1-CD1 3.94Å; L493-L497 HydrophobicContact CD1-CD2 4.47Å; L493-L497 HydrophobicContact CD1-CG 3.89Å; L493-L497 HydrophobicContact CD2-CD1 4.35Å; L493-L497 HydrophobicContact CG-CD1 3.75Å; L493-L497 HydrophobicContact CG-CG 4.17Å; L493-L497 WeakPolarHBondContact O-CB 3.46Å; L493-L497 WeakPolarHBondContact O-CG 3.07Å; L493-L497 PolarHBondContact O-N 2.91Å |
| 494 | E | 98.4 | Very high | 98.1 | Very high | 96 Ų | 96 | 50.6 Ų | 50.6 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 179.8 | -70 | 176.6 | -164.9 | 0 | 0 | 112.5 | K489 L496 L497 Q498 | K489-E494 PolarHBondContact O-N 2.83Å; E494-L496 VanDerWaalsContact C-N 3.31Å; E494-L496 PolarHBondContact O-N 2.81Å; E494-L497 PolarHBondContact O-N 2.8Å; E494-Q498 VanDerWaalsContact O-CG 3.29Å; E494-Q498 WeakPolarHBondContact O-CG 3.46Å; E494-Q498 PolarHBondContact O-N 2.82Å |
| 495 | P | 98.7 | Very high | 98.2 | Very high | 28 Ų | 28 | 51.5 Ų | 51.5 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -32.5 | 176.4 | -27 | 38.3 | 0 | 0 | 0 | 114.5 | Q491 W492 Q498 G499 N500 I501 | Q491-P495 WeakPolarHBondContact O-CG 3.13Å; W492-P495 WeakPolarHBondContact O-CD 3.42Å; P495-Q498 PolarHBondContact O-N 3.22Å; P495-G499 PolarHBondContact O-N 3.16Å; P495-N500 HydrophobicContact CB-CB 4.5Å; P495-N500 PolarHBondContact O-N 2.88Å; P495-I501 HydrophobicContact CB-CD1 3.8Å; P495-I501 HydrophobicContact CB-CG1 3.79Å; P495-I501 HydrophobicContact CB-CG2 4.43Å |
| 496 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.4 | -44.9 | 174.1 | -75 | 168 | 0 | 0 | 0 | 111.3 | N468 M477 L480 W492 L493 E494 Q498 G499 I501 | N468-L496 PolarHBondContact ND2-O 3.13Å; M477-L496 HydrophobicContact CG-CB 3.63Å; M477-L496 HydrophobicContact CG-CD1 4.08Å; M477-L496 HydrophobicContact CG-CG 4.41Å; M477-L496 HydrophobicContact SD-CB 3.84Å; L480-L496 HydrophobicContact CD1-CD1 3.93Å; W492-L496 WeakPolarHBondContact O-CB 3.34Å; W492-L496 WeakPolarHBondContact O-CD1 3.4Å; W492-L496 VanDerWaalsContact O-CG 3.25Å; W492-L496 WeakPolarHBondContact O-CG 3.16Å; W492-L496 PolarHBondContact O-N 2.92Å; L493-L496 PolarHBondContact O-N 2.73Å; E494-L496 VanDerWaalsContact C-N 3.31Å; E494-L496 PolarHBondContact O-N 2.81Å; L496-Q498 PolarHBondContact O-N 3.49Å; L496-G499 PolarHBondContact O-N 3.13Å; L496-I501 HydrophobicContact CD2-CG1 3.94Å; L496-I501 HydrophobicContact CG-CD1 4.3Å; L496-I501 HydrophobicContact CG-CG1 4.03Å |
| 497 | L | 98.2 | Very high | 98.3 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -26.2 | 175.7 | -74.1 | 172.9 | 0 | 0 | 0 | 112.3 | W435 N436 L439 M477 L493 E494 | W435-L497 PolarHBondContact NE1-O 3.34Å; N436-L497 HydrophobicContact CB-CD2 4.34Å; N436-L497 WeakPolarHBondContact ND2-CD2 3.45Å; N436-L497 PolarHBondContact ND2-O 3.43Å; L439-L497 HydrophobicContact CD2-CD2 4.04Å; M477-L497 HydrophobicContact SD-CD2 3.72Å; M477-L497 HydrophobicContact SD-CG 4.09Å; L493-L497 HydrophobicContact CD1-CD1 3.94Å; L493-L497 HydrophobicContact CD1-CD2 4.47Å; L493-L497 HydrophobicContact CD1-CG 3.89Å; L493-L497 HydrophobicContact CD2-CD1 4.35Å; L493-L497 HydrophobicContact CG-CD1 3.75Å; L493-L497 HydrophobicContact CG-CG 4.17Å; L493-L497 WeakPolarHBondContact O-CB 3.46Å; L493-L497 WeakPolarHBondContact O-CG 3.07Å; L493-L497 PolarHBondContact O-N 2.91Å; E494-L497 PolarHBondContact O-N 2.8Å |
| 498 | Q | 98 | Very high | 98.4 | Very high | 97 Ų | 97 | 40.8 Ų | 40.8 | 45% | 0.453 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -83 | -15.8 | 174.1 | -69.5 | 170.5 | 7.2 | 0 | 0 | 113.3 | K430 E494 P495 L496 N500 | K430-Q498 WeakPolarHBondContact CE-O 3.39Å; K430-Q498 PolarHBondContact NZ-O 2.95Å; E494-Q498 VanDerWaalsContact O-CG 3.29Å; E494-Q498 WeakPolarHBondContact O-CG 3.46Å; E494-Q498 PolarHBondContact O-N 2.82Å; P495-Q498 PolarHBondContact O-N 3.22Å; L496-Q498 PolarHBondContact O-N 3.49Å; Q498-N500 VanDerWaalsContact C-N 3.33Å; Q498-N500 PolarHBondContact OE1-ND2 2.78Å |
| 499 | G | 97.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 12% | 0.124 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 19.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P495 L496 | P495-G499 PolarHBondContact O-N 3.16Å; L496-G499 PolarHBondContact O-N 3.13Å |
| 500 | N | 97.9 | Very high | 98.4 | Very high | 90 Ų | 90 | 40.1 Ų | 40.1 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -79 | -38 | -178 | -70.7 | -16.4 | 0 | 0 | 0 | 112.2 | P495 Q498 | P495-N500 HydrophobicContact CB-CB 4.5Å; P495-N500 PolarHBondContact O-N 2.88Å; Q498-N500 VanDerWaalsContact C-N 3.33Å; Q498-N500 PolarHBondContact OE1-ND2 2.78Å |
| 501 | I | 98.6 | Very high | 98.5 | Very high | 28 Ų | 28 | 38 Ų | 38 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -120.1 | 163.7 | 173 | 69.4 | 178.4 | 0 | 0 | 0 | 109.4 | W492 P495 L496 K547 K549 I550 | W492-I501 HydrophobicContact CE3-CD1 3.95Å; W492-I501 HydrophobicContact CZ3-CD1 4.4Å; P495-I501 HydrophobicContact CB-CD1 3.8Å; P495-I501 HydrophobicContact CB-CG1 3.79Å; P495-I501 HydrophobicContact CB-CG2 4.43Å; L496-I501 HydrophobicContact CD2-CG1 3.94Å; L496-I501 HydrophobicContact CG-CD1 4.3Å; L496-I501 HydrophobicContact CG-CG1 4.03Å; I501-K547 CarbonylContact C-O 3.37Å; I501-K547 WeakPolarHBondContact CA-O 3.38Å; I501-K549 HydrophobicContact CB-CB 4.22Å; I501-K549 HydrophobicContact CB-CG 4.12Å; I501-K549 HydrophobicContact CD1-CB 4.45Å; I501-K549 HydrophobicContact CG2-CB 4.13Å; I501-K549 HydrophobicContact CG2-CG 3.74Å; I501-I550 HydrophobicContact CD1-CG2 4.23Å |
| 502 | T | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 176.3 | 164.3 | 62.6 | 0 | 0 | 0 | 0 | 109.3 | D473 K547 C548 K549 | D473-T502 WeakPolarHBondContact OD1-CA 3.42Å; T502-K547 HydrophobicContact CG2-CB 4.36Å; T502-K547 PolarHBondContact N-O 2.71Å; T502-K547 VanDerWaalsContact OG1-C 3.31Å; T502-C548 WeakPolarHBondContact O-CA 3.48Å; T502-C548 WeakPolarHBondContact OG1-CA 3.15Å; T502-C548 PolarHBondContact OG1-N 2.97Å; T502-C548 VanDerWaalsContact OG1-N 3.11Å; T502-K549 PolarHBondContact O-N 2.97Å |
| 503 | S | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 162.1 | -174.2 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | P472 D473 N476 I550 | P472-S503 WeakPolarHBondContact CG-O 3.42Å; D473-S503 PolarHBondContact OD1-N 2.79Å; D473-S503 PolarHBondContact OD1-OG 2.89Å; N476-S503 WeakPolarHBondContact CB-OG 3.24Å; N476-S503 VanDerWaalsContact ND2-CB 3.27Å; N476-S503 WeakPolarHBondContact ND2-CB 3.4Å; N476-S503 PolarHBondContact ND2-OG 2.89Å; S503-I550 WeakPolarHBondContact CA-O 3.4Å; S503-I550 WeakPolarHBondContact CB-O 3.38Å |
| 504 | C | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 162.6 | 170.8 | 67.4 | 0 | 0 | 0 | 0 | 110.7 | N476 S541 A543 I550 I552 | N476-C504 PolarHBondContact ND2-O 3.36Å; C504-S541 VanDerWaalsContact CB-O 3.26Å; C504-S541 WeakPolarHBondContact CB-O 3.3Å; C504-A543 HydrophobicContact CB-CB 4.3Å; C504-I550 PolarHBondContact N-O 3.43Å; C504-I550 VanDerWaalsContact N-O 3.11Å; C504-I552 PolarHBondContact O-N 3.12Å |
| 505 | F | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.4 | 175.4 | -178.5 | -128.5 | 0 | 0 | 0 | 110.4 | M507 I552 M570 R628 | F505-M507 HydrophobicContact CD1-CB 4.17Å; F505-M507 HydrophobicContact CE1-CB 3.57Å; F505-M507 HydrophobicContact CE1-CG 4.36Å; F505-M507 HydrophobicContact CE1-SD 3.94Å; F505-M507 HydrophobicContact CE2-CB 4.48Å; F505-M507 HydrophobicContact CZ-CB 3.77Å; F505-M507 HydrophobicContact CZ-CG 4.42Å; F505-M507 HydrophobicContact CZ-SD 4.05Å; F505-I552 HydrophobicContact CD2-CB 4.05Å; F505-I552 HydrophobicContact CD2-CG2 3.98Å; F505-I552 VanDerWaalsContact CD2-O 3.27Å; F505-I552 WeakPolarHBondContact CD2-O 3.36Å; F505-I552 HydrophobicContact CE2-CG2 4.05Å; F505-M570 HydrophobicContact CE2-CE 3.76Å; F505-M570 HydrophobicContact CE2-SD 3.72Å; F505-M570 HydrophobicContact CZ-CE 4Å; F505-M570 HydrophobicContact CZ-SD 4.47Å; F505-R628 VanDerWaalsContact CB-NH2 3.27Å; F505-R628 VanDerWaalsContact CE2-NH1 3.34Å |
| 506 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 88 | -172.4 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | K537 S540 I552 V553 L554 F604 | C506-K537 HydrophobicContact CB-CB 4.03Å; C506-K537 HydrophobicContact CB-CD 4.43Å; C506-K537 HydrophobicContact CB-CG 3.9Å; C506-S540 PolarHBondContact SG-OG 2.88Å; C506-I552 PolarHBondContact N-O 2.77Å; C506-V553 HydrophobicContact CB-CB 4.44Å; C506-V553 HydrophobicContact CB-CG1 4.3Å; C506-V553 HydrophobicContact CB-CG2 4.08Å; C506-L554 PolarHBondContact O-N 3.1Å; C506-F604 HydrophobicContact CB-CE2 4.41Å; C506-F604 HydrophobicContact CB-CZ 4.35Å |
| 507 | M | 98.3 | Very high | 97.7 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | trans | -113.6 | -52.8 | 178 | 177.5 | 172.3 | 176.6 | 0 | 0 | 111.8 | F505 A517 I520 K537 L554 | F505-M507 HydrophobicContact CD1-CB 4.17Å; F505-M507 HydrophobicContact CE1-CB 3.57Å; F505-M507 HydrophobicContact CE1-CG 4.36Å; F505-M507 HydrophobicContact CE1-SD 3.94Å; F505-M507 HydrophobicContact CE2-CB 4.48Å; F505-M507 HydrophobicContact CZ-CB 3.77Å; F505-M507 HydrophobicContact CZ-CG 4.42Å; F505-M507 HydrophobicContact CZ-SD 4.05Å; M507-A517 HydrophobicContact CE-CB 3.49Å; M507-A517 VanDerWaalsContact CE-CB 3.49Å; M507-I520 VanDerWaalsContact O-CD1 3.31Å; M507-I520 WeakPolarHBondContact O-CD1 3.24Å; M507-K537 PolarHBondContact O-NZ 2.99Å; M507-L554 HydrophobicContact CB-CB 4.38Å; M507-L554 HydrophobicContact CE-CD2 4.01Å; M507-L554 HydrophobicContact CG-CB 4.31Å; M507-L554 HydrophobicContact CG-CD2 3.8Å; M507-L554 HydrophobicContact SD-CD2 4.28Å | ||
| 508 | T | 98.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | trans | -67.4 | 139.1 | -174 | -42.1 | 0 | 0 | 0 | 0 | 111.8 | K537 W538 | T508-K537 CarbonylContact O-C 3.49Å; T508-K537 VanDerWaalsContact O-CA 3.31Å; T508-K537 WeakPolarHBondContact O-CA 3.47Å; T508-K537 WeakPolarHBondContact O-CD 3.36Å; T508-W538 WeakPolarHBondContact CB-O 3.11Å; T508-W538 VanDerWaalsContact CG2-NE1 3.35Å; T508-W538 PolarHBondContact O-N 2.88Å | ||
| 509 | E | 98.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | trans | -116.5 | 143.8 | 178.3 | -65.3 | -178.8 | 179.3 | 0 | 0 | 110 | V512 S514 I520 E521 C522 K536 K537 W538 | E509-V512 HydrophobicContact CB-CG2 3.62Å; E509-V512 HydrophobicContact CG-CG2 4.4Å; E509-V512 WeakPolarHBondContact OE2-CG2 3.34Å; E509-S514 PolarHBondContact N-OG 3.13Å; E509-S514 PolarHBondContact O-OG 2.7Å; E509-I520 HydrophobicContact CB-CD1 4.4Å; E509-I520 HydrophobicContact CG-CD1 3.92Å; E509-I520 WeakPolarHBondContact OE1-CG2 3.49Å; E509-E521 PolarHBondContact OE1-N 2.89Å; E509-E521 VanDerWaalsContact OE2-CG 3.3Å; E509-E521 WeakPolarHBondContact OE2-CG 3.35Å; E509-E521 PolarHBondContact OE2-N 2.67Å; E509-C522 WeakPolarHBondContact OE1-CA 3.4Å; E509-C522 WeakPolarHBondContact OE1-CB 3.47Å; E509-C522 PolarHBondContact OE1-N 3.01Å; E509-K536 WeakPolarHBondContact CG-O 3.46Å; E509-K537 HydrophobicContact CG-CD 3.83Å; E509-K537 IonicContact OE1-NZ 2.9Å; E509-K537 PolarHBondContact OE1-NZ 3.3Å; E509-W538 PolarHBondContact O-NE1 3.3Å | ||
| 510 | P | 98.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 35.5 Ų | 35.5 | 26% | 0.26 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -73.4 | -33.1 | -178.4 | 27.8 | -33.7 | 0 | 0 | 0 | 112.9 | K536 W538 | P510-K536 HydrophobicContact CG-CB 3.94Å; P510-K536 HydrophobicContact CG-CD 4.23Å; P510-W538 HydrophobicContact CB-CD2 4.1Å; P510-W538 HydrophobicContact CB-CG 4.11Å; P510-W538 VanDerWaalsContact N-CD1 3.34Å |
| 511 | D | 98.4 | Very high | 97.4 | Very high | 102 Ų | 102 | 36.5 Ų | 36.5 | 55% | 0.545 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -91.1 | -4.9 | -167.6 | -60.9 | -37.9 | 0 | 0 | 0 | 113 | K536 | D511-K536 IonicContact OD2-NZ 3.38Å; D511-K536 PolarHBondContact OD2-NZ 3.11Å |
| 512 | V | 98.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -134.8 | 152.1 | 179.4 | -62.4 | 0 | 0 | 0 | 0 | 113 | E509 S514 N519 E521 | E509-V512 HydrophobicContact CB-CG2 3.62Å; E509-V512 HydrophobicContact CG-CG2 4.4Å; E509-V512 WeakPolarHBondContact OE2-CG2 3.34Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 3.36Å; V512-S514 PolarHBondContact O-OG 2.96Å; V512-N519 HydrophobicContact CB-CB 4.21Å; V512-N519 HydrophobicContact CG2-CB 4.41Å; V512-E521 HydrophobicContact CG1-CG 4.12Å |
| 513 | A | 97.9 | Very high | 97.4 | Very high | 64 Ų | 64 | 36.3 Ų | 36.3 | 53% | 0.529 | 22% | 0.217 | S | C | . | . | trans | -68.9 | 84.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S515 D516 N519 | A513-S515 PolarHBondContact O-N 2.97Å; A513-S515 VanDerWaalsContact O-N 3.13Å; A513-D516 PolarHBondContact O-N 3.48Å; A513-N519 PolarHBondContact O-ND2 3.27Å | ||
| 514 | S | 97.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -4.9 | -170.8 | -63.7 | 0 | 0 | 0 | 0 | 115.1 | E509 V512 D516 | E509-S514 PolarHBondContact N-OG 3.13Å; E509-S514 PolarHBondContact O-OG 2.7Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 3.36Å; V512-S514 PolarHBondContact O-OG 2.96Å; S514-D516 VanDerWaalsContact C-N 3.25Å |
| 515 | S | 94.1 | Very high | 97.3 | Very high | 74 Ų | 74 | 42.1 Ų | 42.1 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.2 | 171.9 | 55.3 | 0 | 0 | 0 | 0 | 112 | A513 | A513-S515 PolarHBondContact O-N 2.97Å; A513-S515 VanDerWaalsContact O-N 3.13Å |
| 516 | D | 94.7 | Very high | 97.3 | Very high | 67 Ų | 67 | 47 Ų | 47 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -92.6 | 103.8 | 161.3 | 178.4 | -3.5 | 0 | 0 | 0 | 108.1 | A513 S514 T518 N519 | A513-D516 PolarHBondContact O-N 3.48Å; S514-D516 VanDerWaalsContact C-N 3.25Å; D516-T518 PolarHBondContact O-N 3.01Å; D516-T518 WeakPolarHBondContact OD1-CB 3.35Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.45Å; D516-T518 PolarHBondContact OD1-N 3.24Å; D516-T518 PolarHBondContact OD1-OG1 3.32Å; D516-T518 PolarHBondContact OD2-OG1 3.48Å; D516-T518 VanDerWaalsContact OD2-OG1 3.13Å; D516-N519 WeakPolarHBondContact O-CB 3.37Å; D516-N519 PolarHBondContact O-N 2.97Å |
| 517 | A | 92 | Very high | 97.1 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -62 | -14.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M507 N519 I520 F622 | M507-A517 HydrophobicContact CE-CB 3.49Å; M507-A517 VanDerWaalsContact CE-CB 3.49Å; A517-N519 PolarHBondContact O-N 2.9Å; A517-I520 WeakPolarHBondContact O-CB 3.4Å; A517-I520 VanDerWaalsContact O-CG1 3.3Å; A517-I520 WeakPolarHBondContact O-CG1 3.44Å; A517-I520 PolarHBondContact O-N 3.23Å; A517-F622 HydrophobicContact CB-CD1 4.12Å; A517-F622 HydrophobicContact CB-CE1 3.47Å; A517-F622 VanDerWaalsContact CB-CE1 3.47Å; A517-F622 HydrophobicContact CB-CZ 4.04Å; A517-F622 WeakPolarHBondContact O-CE1 3.4Å; A517-F622 WeakPolarHBondContact O-CZ 3.3Å |
| 518 | T | 93.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -73.3 | -16.4 | 175.4 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | D516 I520 R564 F622 | D516-T518 PolarHBondContact O-N 3.01Å; D516-T518 WeakPolarHBondContact OD1-CB 3.35Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.45Å; D516-T518 PolarHBondContact OD1-N 3.24Å; D516-T518 PolarHBondContact OD1-OG1 3.32Å; D516-T518 PolarHBondContact OD2-OG1 3.48Å; D516-T518 VanDerWaalsContact OD2-OG1 3.13Å; T518-I520 VanDerWaalsContact C-N 3.32Å; T518-R564 PolarHBondContact OG1-NH2 3.37Å; T518-F622 HydrophobicContact CG2-CE2 3.86Å; T518-F622 HydrophobicContact CG2-CZ 3.92Å |
| 519 | N | 96.6 | Very high | 96.8 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -80.2 | -13.1 | 177.2 | -68.1 | -26.1 | 0 | 0 | 0 | 113.6 | V512 A513 D516 A517 E521 | V512-N519 HydrophobicContact CB-CB 4.21Å; V512-N519 HydrophobicContact CG2-CB 4.41Å; A513-N519 PolarHBondContact O-ND2 3.27Å; D516-N519 WeakPolarHBondContact O-CB 3.37Å; D516-N519 PolarHBondContact O-N 2.97Å; A517-N519 PolarHBondContact O-N 2.9Å; N519-E521 PolarHBondContact O-N 3.18Å |
| 520 | I | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | trans | -56.8 | 122.1 | 179.4 | -64.5 | -54.6 | 0 | 0 | 0 | 109.8 | M507 E509 A517 T518 L554 H568 | M507-I520 VanDerWaalsContact O-CD1 3.31Å; M507-I520 WeakPolarHBondContact O-CD1 3.24Å; E509-I520 HydrophobicContact CB-CD1 4.4Å; E509-I520 HydrophobicContact CG-CD1 3.92Å; E509-I520 WeakPolarHBondContact OE1-CG2 3.49Å; A517-I520 WeakPolarHBondContact O-CB 3.4Å; A517-I520 VanDerWaalsContact O-CG1 3.3Å; A517-I520 WeakPolarHBondContact O-CG1 3.44Å; A517-I520 PolarHBondContact O-N 3.23Å; T518-I520 VanDerWaalsContact C-N 3.32Å; I520-L554 HydrophobicContact CB-CD2 4.39Å; I520-L554 HydrophobicContact CG1-CD2 4.07Å; I520-L554 HydrophobicContact CG2-CD2 4.05Å; I520-H568 PolarHBondContact O-NE2 3.02Å | ||
| 521 | E | 97.8 | Very high | 96.8 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | trans | -118.1 | -8.3 | -172 | 62.1 | 173.5 | -161.5 | 0 | 0 | 114.6 | E509 V512 N519 S523 | E509-E521 PolarHBondContact OE1-N 2.89Å; E509-E521 VanDerWaalsContact OE2-CG 3.3Å; E509-E521 WeakPolarHBondContact OE2-CG 3.35Å; E509-E521 PolarHBondContact OE2-N 2.67Å; V512-E521 HydrophobicContact CG1-CG 4.12Å; N519-E521 PolarHBondContact O-N 3.18Å; E521-S523 PolarHBondContact O-N 3.45Å | ||
| 522 | C | 98.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | trans | -49.1 | 114.6 | 171.3 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | E509 N534 G555 R556 | E509-C522 WeakPolarHBondContact OE1-CA 3.4Å; E509-C522 WeakPolarHBondContact OE1-CB 3.47Å; E509-C522 PolarHBondContact OE1-N 3.01Å; C522-N534 CarbonylContact C-O 3.51Å; C522-G555 CarbonylContact O-C 3.57Å; C522-G555 WeakPolarHBondContact O-CA 3.47Å; C522-R556 PolarHBondContact O-N 3.25Å | ||
| 523 | S | 98.5 | Very high | 96.8 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 22% | 0.217 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.1 | -167.8 | 174 | 0 | 0 | 0 | 0 | 110.7 | E521 Q525 I533 N534 | E521-S523 PolarHBondContact O-N 3.45Å; S523-Q525 WeakPolarHBondContact OG-CG 3.35Å; S523-Q525 PolarHBondContact OG-NE2 3.4Å; S523-I533 WeakPolarHBondContact O-CA 3.43Å; S523-N534 PolarHBondContact N-O 2.96Å; S523-N534 PolarHBondContact O-N 3.34Å |
| 524 | I | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 107.8 | 169.1 | -58.9 | 176.7 | 0 | 0 | 0 | 107 | Y531 I533 R556 T557 I571 | I524-Y531 HydrophobicContact CG2-CD1 3.53Å; I524-Y531 HydrophobicContact CG2-CE1 4.19Å; I524-Y531 HydrophobicContact CG2-CG 4.01Å; I524-I533 HydrophobicContact CG1-CG1 4.38Å; I524-I533 HydrophobicContact CG1-CG2 4.39Å; I524-R556 PolarHBondContact N-O 3.24Å; I524-T557 HydrophobicContact CB-CG2 3.72Å; I524-T557 HydrophobicContact CG2-CG2 3.72Å; I524-I571 HydrophobicContact CD1-CG2 3.84Å; I524-I571 HydrophobicContact CG2-CD1 4.49Å |
| 525 | Q | 98.1 | Very high | 96.9 | Very high | 119 Ų | 119 | 51.8 Ų | 51.8 | 56% | 0.556 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.1 | -179.2 | -70.4 | 173.4 | 9.4 | 0 | 0 | 110 | S523 Y531 V532 | S523-Q525 WeakPolarHBondContact OG-CG 3.35Å; S523-Q525 PolarHBondContact OG-NE2 3.4Å; Q525-Y531 CarbonylContact O-C 3.44Å; Q525-Y531 VanDerWaalsContact O-CA 3.29Å; Q525-Y531 WeakPolarHBondContact O-CA 3.33Å; Q525-V532 PolarHBondContact N-O 3.14Å; Q525-V532 PolarHBondContact O-N 2.99Å |
| 526 | R | 97.2 | Very high | 97.1 | Very high | 130 Ų | 130 | 52.4 Ų | 52.4 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.8 | 174.4 | -174.4 | 67.7 | -178.7 | -100.1 | -3.6 | 109.6 | E528 S530 Y531 E618 | R526-E528 VanDerWaalsContact CZ-O 3.29Å; R526-E528 PolarHBondContact NE-O 2.93Å; R526-E528 PolarHBondContact NH2-O 3.21Å; R526-S530 WeakPolarHBondContact CD-O 3.46Å; R526-Y531 HydrophobicContact CB-CD1 4.12Å; R526-Y531 HydrophobicContact CB-CE1 3.78Å; R526-Y531 VanDerWaalsContact CD-CZ 3.42Å; R526-Y531 HydrophobicContact CG-CE1 4.17Å; R526-Y531 PolarHBondContact NH1-OH 2.88Å; R526-Y531 VanDerWaalsContact NH1-OH 3.15Å; R526-E618 IonicContact NH1-OE1 2.71Å |
| 527 | D | 94.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 92.8 | 174.5 | -174.2 | 18 | 0 | 0 | 0 | 108 | D529 S530 V532 R608 | D527-D529 PolarHBondContact O-N 3.44Å; D527-S530 CarbonylContact C-O 3.55Å; D527-S530 PolarHBondContact N-O 3.45Å; D527-S530 PolarHBondContact O-N 3.39Å; D527-S530 VanDerWaalsContact O-O 3.09Å; D527-S530 PolarHBondContact O-OG 3.32Å; D527-V532 HydrophobicContact CB-CG2 4.37Å; D527-R608 IonicContact OD2-CZ 2.71Å; D527-R608 IonicContact OD2-NH1 3.67Å; D527-R608 PolarHBondContact OD2-NH1 3.18Å; D527-R608 IonicContact OD2-NH2 3.34Å; D527-R608 PolarHBondContact OD2-NH2 3.32Å |
| 528 | E | 94.2 | Very high | 97.6 | Very high | 170 Ų | 170 | 51.4 Ų | 51.4 | 79% | 0.794 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | -99.6 | -175.4 | -61 | -174.1 | 170.3 | 0 | 0 | 114.5 | R526 | R526-E528 VanDerWaalsContact CZ-O 3.29Å; R526-E528 PolarHBondContact NE-O 2.93Å; R526-E528 PolarHBondContact NH2-O 3.21Å |
| 529 | D | 95.9 | Very high | 97.9 | Very high | 121 Ų | 121 | 54.5 Ų | 54.5 | 65% | 0.647 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.5 | -176 | 73.7 | -20.4 | 0 | 0 | 0 | 113.6 | D527 A611 | D527-D529 PolarHBondContact O-N 3.44Å; D529-A611 WeakPolarHBondContact O-CB 3.39Å; D529-A611 PolarHBondContact O-N 3.46Å |
| 530 | S | 98.1 | Very high | 98 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 170.1 | -175.1 | 54.4 | 0 | 0 | 0 | 0 | 113 | R526 D527 R608 V609 | R526-S530 WeakPolarHBondContact CD-O 3.46Å; D527-S530 CarbonylContact C-O 3.55Å; D527-S530 PolarHBondContact N-O 3.45Å; D527-S530 PolarHBondContact O-N 3.39Å; D527-S530 VanDerWaalsContact O-O 3.09Å; D527-S530 PolarHBondContact O-OG 3.32Å; S530-R608 PolarHBondContact OG-NH1 3.4Å; S530-V609 CarbonylContact C-O 3.47Å; S530-V609 VanDerWaalsContact CA-O 3.26Å; S530-V609 WeakPolarHBondContact CA-O 3.36Å; S530-V609 WeakPolarHBondContact CB-O 3.48Å |
| 531 | Y | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.6 | 170.1 | -72.3 | -80.2 | 0 | 0 | 0 | 110.4 | I524 Q525 R526 I571 R608 V609 A611 L614 E618 | I524-Y531 HydrophobicContact CG2-CD1 3.53Å; I524-Y531 HydrophobicContact CG2-CE1 4.19Å; I524-Y531 HydrophobicContact CG2-CG 4.01Å; Q525-Y531 CarbonylContact O-C 3.44Å; Q525-Y531 VanDerWaalsContact O-CA 3.29Å; Q525-Y531 WeakPolarHBondContact O-CA 3.33Å; R526-Y531 HydrophobicContact CB-CD1 4.12Å; R526-Y531 HydrophobicContact CB-CE1 3.78Å; R526-Y531 VanDerWaalsContact CD-CZ 3.42Å; R526-Y531 HydrophobicContact CG-CE1 4.17Å; R526-Y531 PolarHBondContact NH1-OH 2.88Å; R526-Y531 VanDerWaalsContact NH1-OH 3.15Å; Y531-I571 HydrophobicContact CD2-CD1 3.56Å; Y531-I571 HydrophobicContact CE2-CD1 4.34Å; Y531-I571 HydrophobicContact CG-CD1 3.78Å; Y531-R608 VanDerWaalsContact O-CA 3.3Å; Y531-R608 WeakPolarHBondContact O-CA 3.45Å; Y531-V609 PolarHBondContact N-O 3.35Å; Y531-V609 PolarHBondContact O-N 3.04Å; Y531-A611 HydrophobicContact CD2-CB 4.37Å; Y531-A611 HydrophobicContact CE2-CB 4.03Å; Y531-L614 HydrophobicContact CE2-CB 4Å; Y531-L614 HydrophobicContact CE2-CD1 4.16Å; Y531-L614 HydrophobicContact CE2-CD2 4.38Å; Y531-L614 HydrophobicContact CE2-CG 4.43Å; Y531-E618 WeakPolarHBondContact OH-CG 3.34Å; Y531-E618 PolarHBondContact OH-OE1 3.33Å |
| 532 | V | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.6 | 170 | -174.4 | 0 | 0 | 0 | 0 | 109 | Q525 D527 V607 | Q525-V532 PolarHBondContact N-O 3.14Å; Q525-V532 PolarHBondContact O-N 2.99Å; D527-V532 HydrophobicContact CB-CG2 4.37Å; V532-V607 CarbonylContact C-O 3.54Å; V532-V607 WeakPolarHBondContact CA-O 3.25Å |
| 533 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.8 | -175.4 | -50.7 | 170.6 | 0 | 0 | 0 | 109.3 | S523 I524 I571 V573 F604 V607 V609 | S523-I533 WeakPolarHBondContact O-CA 3.43Å; I524-I533 HydrophobicContact CG1-CG1 4.38Å; I524-I533 HydrophobicContact CG1-CG2 4.39Å; I533-I571 HydrophobicContact CD1-CD1 4.32Å; I533-I571 HydrophobicContact CD1-CG2 3.68Å; I533-V573 HydrophobicContact CD1-CG2 3.41Å; I533-V573 VanDerWaalsContact CD1-CG2 3.41Å; I533-F604 HydrophobicContact CG2-CB 3.98Å; I533-F604 HydrophobicContact CG2-CD1 4.34Å; I533-F604 HydrophobicContact CG2-CG 4.17Å; I533-V607 HydrophobicContact CB-CB 4.26Å; I533-V607 PolarHBondContact N-O 3.04Å; I533-V607 PolarHBondContact O-N 3.36Å; I533-V607 VanDerWaalsContact O-N 3.09Å; I533-V609 HydrophobicContact CD1-CG2 4.04Å |
| 534 | N | 98.8 | Very high | 98 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 124.5 | 178.3 | -75.7 | -72.1 | 0 | 0 | 0 | 112 | C522 S523 F604 Q606 | C522-N534 CarbonylContact C-O 3.51Å; S523-N534 PolarHBondContact N-O 2.96Å; S523-N534 PolarHBondContact O-N 3.34Å; N534-F604 CarbonylContact C-O 3.59Å; N534-F604 VanDerWaalsContact CA-O 3.27Å; N534-F604 WeakPolarHBondContact CA-O 3.24Å; N534-Q606 PolarHBondContact ND2-OE1 3.17Å; N534-Q606 PolarHBondContact OD1-N 3.2Å; N534-Q606 PolarHBondContact OD1-OE1 3.46Å |
| 535 | G | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 48 Ų | 48 | 25% | 0.247 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159 | -179.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | F604 | G535-F604 PolarHBondContact N-O 3.01Å; G535-F604 PolarHBondContact O-N 3.31Å |
| 536 | K | 98.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 46.6 Ų | 46.6 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.7 | 178.3 | -53.9 | -178.7 | -163.4 | 152.4 | 0 | 109.9 | E509 P510 D511 | E509-K536 WeakPolarHBondContact CG-O 3.46Å; P510-K536 HydrophobicContact CG-CB 3.94Å; P510-K536 HydrophobicContact CG-CD 4.23Å; D511-K536 IonicContact OD2-NZ 3.38Å; D511-K536 PolarHBondContact OD2-NZ 3.11Å |
| 537 | K | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.8 | 171.6 | -64.9 | -68.3 | -173.4 | -168.8 | 0 | 109.2 | C506 M507 T508 E509 L554 E601 I602 F604 | C506-K537 HydrophobicContact CB-CB 4.03Å; C506-K537 HydrophobicContact CB-CD 4.43Å; C506-K537 HydrophobicContact CB-CG 3.9Å; M507-K537 PolarHBondContact O-NZ 2.99Å; T508-K537 CarbonylContact O-C 3.49Å; T508-K537 VanDerWaalsContact O-CA 3.31Å; T508-K537 WeakPolarHBondContact O-CA 3.47Å; T508-K537 WeakPolarHBondContact O-CD 3.36Å; E509-K537 HydrophobicContact CG-CD 3.83Å; E509-K537 IonicContact OE1-NZ 2.9Å; E509-K537 PolarHBondContact OE1-NZ 3.3Å; K537-L554 WeakPolarHBondContact CE-O 3.44Å; K537-L554 PolarHBondContact NZ-O 2.98Å; K537-E601 CarbonylContact O-C 3.6Å; K537-E601 WeakPolarHBondContact O-CA 3.45Å; K537-I602 PolarHBondContact N-O 3.49Å; K537-I602 PolarHBondContact O-N 3.24Å; K537-I602 VanDerWaalsContact O-O 3.13Å; K537-F604 HydrophobicContact CB-CE2 4.09Å; K537-F604 HydrophobicContact CG-CD2 4.17Å; K537-F604 HydrophobicContact CG-CE2 3.71Å |
| 538 | W | 98.8 | Very high | 98.1 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 27% | 0.265 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 166.8 | 176 | 78.5 | -40.7 | 0 | 0 | 0 | 111.4 | T508 E509 P510 S540 L586 F600 E601 | T508-W538 WeakPolarHBondContact CB-O 3.11Å; T508-W538 VanDerWaalsContact CG2-NE1 3.35Å; T508-W538 PolarHBondContact O-N 2.88Å; E509-W538 PolarHBondContact O-NE1 3.3Å; P510-W538 HydrophobicContact CB-CD2 4.1Å; P510-W538 HydrophobicContact CB-CG 4.11Å; P510-W538 VanDerWaalsContact N-CD1 3.34Å; W538-S540 PolarHBondContact O-N 2.87Å; W538-L586 HydrophobicContact CB-CD1 4.18Å; W538-L586 HydrophobicContact CD2-CD1 4.36Å; W538-L586 HydrophobicContact CE3-CD1 3.73Å; W538-L586 HydrophobicContact CE3-CD2 4.26Å; W538-F600 CarbonylContact C-O 3.51Å; W538-F600 WeakPolarHBondContact CA-O 3.46Å; W538-E601 HydrophobicContact CB-CB 4.24Å; W538-E601 HydrophobicContact CB-CG 4.22Å |
| 539 | W | 98.7 | Very high | 98.3 | Very high | 85 Ų | 85 | 38.1 Ų | 38.1 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.8 | 29.8 | -168.7 | -60.1 | 103.7 | 0 | 0 | 0 | 113.7 | S541 L586 V588 H599 F600 | W539-S541 PolarHBondContact O-N 3.29Å; W539-L586 HydrophobicContact CD2-CD1 3.6Å; W539-L586 HydrophobicContact CE3-CB 4.22Å; W539-L586 HydrophobicContact CE3-CD1 3.89Å; W539-L586 HydrophobicContact CG-CD1 3.95Å; W539-L586 HydrophobicContact CH2-CB 3.87Å; W539-L586 HydrophobicContact CH2-CD1 4.36Å; W539-L586 HydrophobicContact CZ2-CB 4.32Å; W539-L586 HydrophobicContact CZ2-CD1 4.12Å; W539-L586 HydrophobicContact CZ3-CB 3.8Å; W539-L586 HydrophobicContact CZ3-CD1 4.25Å; W539-V588 HydrophobicContact CH2-CG2 4.06Å; W539-V588 HydrophobicContact CZ3-CG2 3.8Å; W539-H599 HydrophobicContact CE3-CB 3.73Å; W539-H599 AromaticContact CE3-CG 3.99Å; W539-H599 HydrophobicContact CZ3-CB 4.08Å; W539-F600 PolarHBondContact N-O 3.16Å; W539-F600 VanDerWaalsContact N-O 3.15Å |
| 540 | S | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 89.2 | 174.4 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | C506 W538 A543 F600 | C506-S540 PolarHBondContact SG-OG 2.88Å; W538-S540 PolarHBondContact O-N 2.87Å; S540-A543 WeakPolarHBondContact O-CB 2.94Å; S540-F600 PolarHBondContact N-O 3.12Å; S540-F600 VanDerWaalsContact N-O 3.08Å; S540-F600 PolarHBondContact O-N 3.39Å |
| 541 | S | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 32 Ų | 32 | 28% | 0.28 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 137.8 | -177.9 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | C504 W539 A543 G598 H599 | C504-S541 VanDerWaalsContact CB-O 3.26Å; C504-S541 WeakPolarHBondContact CB-O 3.3Å; W539-S541 PolarHBondContact O-N 3.29Å; S541-A543 VanDerWaalsContact C-N 3.32Å; S541-A543 PolarHBondContact O-N 3.24Å; S541-G598 CarbonylContact C-O 3.58Å; S541-G598 WeakPolarHBondContact CA-O 3.48Å; S541-H599 PolarHBondContact OG-CE1 3.3Å; S541-H599 PolarHBondContact OG-ND1 3.21Å |
| 542 | G | 98 | Very high | 98.5 | Very high | 6 Ų | 6 | 32 Ų | 32 | 6% | 0.062 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -5.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | G544 N545 C548 H596 G597 G598 | G542-G544 VanDerWaalsContact C-N 3.27Å; G542-G544 PolarHBondContact O-N 3.45Å; G542-N545 VanDerWaalsContact O-CB 3.28Å; G542-N545 WeakPolarHBondContact O-CB 3.21Å; G542-N545 PolarHBondContact O-N 3.02Å; G542-C548 WeakPolarHBondContact O-CB 3.15Å; G542-H596 WeakPolarHBondContact CA-O 3.42Å; G542-G597 CarbonylContact C-O 3.57Å; G542-G598 PolarHBondContact N-O 2.97Å |
| 543 | A | 98.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -25.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C504 S540 S541 N545 M575 F600 I602 | C504-A543 HydrophobicContact CB-CB 4.3Å; S540-A543 WeakPolarHBondContact O-CB 2.94Å; S541-A543 VanDerWaalsContact C-N 3.32Å; S541-A543 PolarHBondContact O-N 3.24Å; A543-N545 PolarHBondContact O-N 3.25Å; A543-M575 HydrophobicContact CB-CE 4.46Å; A543-F600 HydrophobicContact CB-CB 4.13Å; A543-F600 HydrophobicContact CB-CD2 4.14Å; A543-F600 HydrophobicContact CB-CG 4.35Å; A543-I602 HydrophobicContact CB-CD1 3.79Å |
| 544 | G | 97.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W416 G542 P546 G597 F600 | W416-G544 VanDerWaalsContact CB-C 3.42Å; W416-G544 WeakPolarHBondContact CB-O 3.47Å; G542-G544 VanDerWaalsContact C-N 3.27Å; G542-G544 PolarHBondContact O-N 3.45Å; G544-P546 WeakPolarHBondContact O-CD 3.33Å; G544-G597 WeakPolarHBondContact CA-O 3.42Å; G544-G597 PolarHBondContact N-O 2.71Å; G544-F600 VanDerWaalsContact N-CE2 3.33Å |
| 545 | N | 97.7 | Very high | 98.5 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 5% | 0.048 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -65.4 | 127.8 | -179.2 | -164.9 | -52.2 | 0 | 0 | 0 | 110.4 | W416 R418 G542 A543 K547 C548 | W416-N545 PolarHBondContact O-ND2 2.91Å; R418-N545 PolarHBondContact NH1-ND2 3.46Å; G542-N545 VanDerWaalsContact O-CB 3.28Å; G542-N545 WeakPolarHBondContact O-CB 3.21Å; G542-N545 PolarHBondContact O-N 3.02Å; A543-N545 PolarHBondContact O-N 3.25Å; N545-K547 PolarHBondContact O-N 3.02Å; N545-K547 WeakPolarHBondContact OD1-CB 3.45Å; N545-K547 PolarHBondContact OD1-N 3.15Å; N545-C548 HydrophobicContact CB-CB 4.42Å; N545-C548 WeakPolarHBondContact O-CB 3.49Å; N545-C548 PolarHBondContact O-N 3.41Å |
| 546 | P | 97.3 | Very high | 98.4 | Very high | 89 Ų | 89 | 33.3 Ų | 33.3 | 58% | 0.578 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.8 | 177.9 | -26.1 | 35.1 | 0 | 0 | 0 | 114.3 | G544 C548 K549 | G544-P546 WeakPolarHBondContact O-CD 3.33Å; P546-C548 VanDerWaalsContact C-N 3.31Å; P546-K549 VanDerWaalsContact O-CE 3.23Å; P546-K549 WeakPolarHBondContact O-CE 3.4Å; P546-K549 PolarHBondContact O-NZ 3.48Å |
| 547 | K | 98.3 | Very high | 98.3 | Very high | 78 Ų | 78 | 29.6 Ų | 29.6 | 34% | 0.339 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8.8 | 174 | -65.2 | -174.7 | 178.7 | 178.7 | 0 | 112.9 | D423 I501 T502 N545 K549 | D423-K547 IonicContact OD1-NZ 2.75Å; D423-K547 IonicContact OD2-NZ 3.94Å; I501-K547 CarbonylContact C-O 3.37Å; I501-K547 WeakPolarHBondContact CA-O 3.38Å; T502-K547 HydrophobicContact CG2-CB 4.36Å; T502-K547 PolarHBondContact N-O 2.71Å; T502-K547 VanDerWaalsContact OG1-C 3.31Å; N545-K547 PolarHBondContact O-N 3.02Å; N545-K547 WeakPolarHBondContact OD1-CB 3.45Å; N545-K547 PolarHBondContact OD1-N 3.15Å; K547-K549 WeakPolarHBondContact O-CG 3.31Å; K547-K549 PolarHBondContact O-N 3.31Å |
| 548 | C | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.054 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 98.9 | 176 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | T502 G542 N545 P546 M575 | T502-C548 WeakPolarHBondContact O-CA 3.48Å; T502-C548 WeakPolarHBondContact OG1-CA 3.15Å; T502-C548 PolarHBondContact OG1-N 2.97Å; T502-C548 VanDerWaalsContact OG1-N 3.11Å; G542-C548 WeakPolarHBondContact O-CB 3.15Å; N545-C548 HydrophobicContact CB-CB 4.42Å; N545-C548 WeakPolarHBondContact O-CB 3.49Å; N545-C548 PolarHBondContact O-N 3.41Å; P546-C548 VanDerWaalsContact C-N 3.31Å; C548-M575 WeakPolarHBondContact O-CG 3.49Å |
| 549 | K | 98.8 | Very high | 97.2 | Very high | 105 Ų | 105 | 36 Ų | 36 | 46% | 0.457 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -15 | -174.6 | -61.9 | -45.2 | -171.3 | -169.8 | 0 | 114 | I501 T502 P546 K547 P574 M575 | I501-K549 HydrophobicContact CB-CB 4.22Å; I501-K549 HydrophobicContact CB-CG 4.12Å; I501-K549 HydrophobicContact CD1-CB 4.45Å; I501-K549 HydrophobicContact CG2-CB 4.13Å; I501-K549 HydrophobicContact CG2-CG 3.74Å; T502-K549 PolarHBondContact O-N 2.97Å; P546-K549 VanDerWaalsContact O-CE 3.23Å; P546-K549 WeakPolarHBondContact O-CE 3.4Å; P546-K549 PolarHBondContact O-NZ 3.48Å; K547-K549 WeakPolarHBondContact O-CG 3.31Å; K547-K549 PolarHBondContact O-N 3.31Å; K549-P574 WeakPolarHBondContact O-CA 3.49Å; K549-M575 PolarHBondContact O-N 3.28Å |
| 550 | I | 98.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.7 | -173.8 | -169.6 | 59.9 | 0 | 0 | 0 | 111.4 | W492 I501 S503 C504 L572 P574 | W492-I550 HydrophobicContact CD2-CB 4.22Å; W492-I550 HydrophobicContact CD2-CD1 3.83Å; W492-I550 HydrophobicContact CD2-CG1 3.79Å; W492-I550 HydrophobicContact CE3-CB 3.68Å; W492-I550 HydrophobicContact CE3-CD1 4Å; W492-I550 HydrophobicContact CE3-CG1 3.79Å; W492-I550 HydrophobicContact CE3-CG2 4.13Å; W492-I550 HydrophobicContact CG-CG1 4.22Å; W492-I550 HydrophobicContact CH2-CD1 3.92Å; W492-I550 HydrophobicContact CZ2-CD1 3.75Å; W492-I550 HydrophobicContact CZ3-CB 3.88Å; W492-I550 HydrophobicContact CZ3-CD1 4.04Å; W492-I550 HydrophobicContact CZ3-CG1 4.2Å; I501-I550 HydrophobicContact CD1-CG2 4.23Å; S503-I550 WeakPolarHBondContact CA-O 3.4Å; S503-I550 WeakPolarHBondContact CB-O 3.38Å; C504-I550 PolarHBondContact N-O 3.43Å; C504-I550 VanDerWaalsContact N-O 3.11Å; I550-L572 HydrophobicContact CD1-CB 4.18Å; I550-L572 HydrophobicContact CD1-CD2 4.18Å; I550-L572 HydrophobicContact CG1-CD2 3.92Å; I550-P574 HydrophobicContact CD1-CG 4.33Å |
| 551 | A | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V553 V573 M575 | A551-V553 HydrophobicContact CB-CG2 4.01Å; A551-V573 HydrophobicContact CB-CB 4.49Å; A551-V573 PolarHBondContact N-O 3.3Å; A551-V573 PolarHBondContact O-N 3.44Å; A551-M575 HydrophobicContact CB-SD 3.8Å |
| 552 | I | 98.8 | Very high | 95 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119 | 161.7 | -61.4 | -168 | 0 | 0 | 0 | 107.2 | N476 V479 C504 F505 C506 M570 L572 I615 | N476-I552 HydrophobicContact CB-CD1 3.92Å; N476-I552 WeakPolarHBondContact OD1-CD1 3.45Å; V479-I552 HydrophobicContact CB-CD1 4.09Å; V479-I552 HydrophobicContact CG1-CD1 3.92Å; C504-I552 PolarHBondContact O-N 3.12Å; F505-I552 HydrophobicContact CD2-CB 4.05Å; F505-I552 HydrophobicContact CD2-CG2 3.98Å; F505-I552 VanDerWaalsContact CD2-O 3.27Å; F505-I552 WeakPolarHBondContact CD2-O 3.36Å; F505-I552 HydrophobicContact CE2-CG2 4.05Å; C506-I552 PolarHBondContact N-O 2.77Å; I552-M570 HydrophobicContact CG2-CG 3.36Å; I552-M570 HydrophobicContact CG2-SD 3.54Å; I552-M570 VanDerWaalsContact CG2-SD 3.54Å; I552-L572 HydrophobicContact CD1-CD2 4.36Å; I552-L572 HydrophobicContact CG1-CD2 3.85Å; I552-I615 HydrophobicContact CD1-CD1 4.26Å; I552-I615 HydrophobicContact CG1-CD1 4.48Å; I552-I615 HydrophobicContact CG2-CD1 4Å |
| 553 | V | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.5 | -172.6 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | C506 A551 M570 I571 V573 F604 | C506-V553 HydrophobicContact CB-CB 4.44Å; C506-V553 HydrophobicContact CB-CG1 4.3Å; C506-V553 HydrophobicContact CB-CG2 4.08Å; A551-V553 HydrophobicContact CB-CG2 4.01Å; V553-M570 VanDerWaalsContact C-SD 3.53Å; V553-M570 WeakPolarHBondContact O-CA 3.49Å; V553-M570 VanDerWaalsContact O-SD 3.38Å; V553-I571 HydrophobicContact CB-CG2 4.09Å; V553-I571 PolarHBondContact N-O 3.33Å; V553-I571 PolarHBondContact O-N 2.81Å; V553-V573 HydrophobicContact CB-CG2 4.27Å; V553-V573 HydrophobicContact CG2-CB 4.03Å; V553-V573 HydrophobicContact CG2-CG2 3.61Å; V553-F604 HydrophobicContact CG1-CE2 4.38Å; V553-F604 HydrophobicContact CG1-CZ 4.3Å; V553-F604 HydrophobicContact CG2-CE1 3.81Å; V553-F604 HydrophobicContact CG2-CE2 4.44Å; V553-F604 HydrophobicContact CG2-CZ 3.6Å |
| 554 | L | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 126.2 | 168.2 | -174.9 | 95.5 | 0 | 0 | 0 | 109.1 | C506 M507 I520 K537 H568 S569 M570 | C506-L554 PolarHBondContact O-N 3.1Å; M507-L554 HydrophobicContact CB-CB 4.38Å; M507-L554 HydrophobicContact CE-CD2 4.01Å; M507-L554 HydrophobicContact CG-CB 4.31Å; M507-L554 HydrophobicContact CG-CD2 3.8Å; M507-L554 HydrophobicContact SD-CD2 4.28Å; I520-L554 HydrophobicContact CB-CD2 4.39Å; I520-L554 HydrophobicContact CG1-CD2 4.07Å; I520-L554 HydrophobicContact CG2-CD2 4.05Å; K537-L554 WeakPolarHBondContact CE-O 3.44Å; K537-L554 PolarHBondContact NZ-O 2.98Å; L554-H568 HydrophobicContact CD1-CB 4.42Å; L554-S569 WeakPolarHBondContact CA-O 3.44Å; L554-M570 HydrophobicContact CB-CE 4.11Å; L554-M570 HydrophobicContact CB-SD 3.8Å; L554-M570 HydrophobicContact CD1-CE 3.53Å; L554-M570 HydrophobicContact CD1-SD 4.09Å; L554-M570 HydrophobicContact CG-CE 4.45Å |
| 555 | G | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 172.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C522 H568 S569 | C522-G555 CarbonylContact O-C 3.57Å; C522-G555 WeakPolarHBondContact O-CA 3.47Å; G555-H568 CarbonylContact O-C 3.52Å; G555-H568 VanDerWaalsContact O-CA 3.28Å; G555-H568 WeakPolarHBondContact O-CA 3.19Å; G555-S569 PolarHBondContact N-O 2.87Å; G555-S569 VanDerWaalsContact N-O 3.13Å; G555-S569 PolarHBondContact O-N 2.69Å |
| 556 | R | 97.9 | Very high | 92.8 | Very high | 101 Ų | 101 | 64.9 Ų | 64.9 | 38% | 0.381 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.3 | -178.6 | -170.5 | 177.4 | -179.1 | -179.8 | -1.4 | 110.2 | C522 I524 Q567 | C522-R556 PolarHBondContact O-N 3.25Å; I524-R556 PolarHBondContact N-O 3.24Å; R556-Q567 CarbonylContact C-O 3.5Å; R556-Q567 WeakPolarHBondContact CA-O 3.27Å; R556-Q567 WeakPolarHBondContact CG-O 3.34Å |
| 557 | T | 95.6 | Very high | 92.6 | Very high | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | trans | -100 | 90.5 | 168.5 | 46.1 | 0 | 0 | 0 | 0 | 107.6 | I524 N559 Q567 S569 | I524-T557 HydrophobicContact CB-CG2 3.72Å; I524-T557 HydrophobicContact CG2-CG2 3.72Å; T557-N559 PolarHBondContact O-N 3.43Å; T557-Q567 CarbonylContact C-O 3.43Å; T557-Q567 PolarHBondContact N-O 2.73Å; T557-S569 VanDerWaalsContact CG2-OG 3.26Å; T557-S569 WeakPolarHBondContact CG2-OG 3.38Å; T557-S569 PolarHBondContact OG1-OG 3.01Å | ||
| 558 | Q | 88.4 | Confident | 92.6 | Very high | 150 Ų | 150 | 58 Ų | 58 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | trans | -62.9 | 122.7 | -173.6 | -179 | 171.9 | -8.1 | 0 | 0 | 110.9 | ||||
| 559 | N | 86.9 | Confident | 92.6 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | trans | -142.2 | 114.5 | 176.6 | -177.3 | -25.2 | 0 | 0 | 0 | 110.1 | T557 S561 V562 Q567 | T557-N559 PolarHBondContact O-N 3.43Å; N559-S561 PolarHBondContact O-N 3.24Å; N559-S561 WeakPolarHBondContact OD1-CB 3.26Å; N559-S561 PolarHBondContact OD1-N 3.07Å; N559-S561 PolarHBondContact OD1-OG 3.44Å; N559-V562 HydrophobicContact CB-CG2 3.95Å; N559-V562 PolarHBondContact O-N 2.84Å; N559-Q567 PolarHBondContact O-NE2 3.19Å; N559-Q567 PolarHBondContact O-OE1 3.21Å | ||
| 560 | T | 83.2 | Confident | 92.6 | Very high | 140 Ų | 140 | 52.6 Ų | 52.6 | 86% | 0.859 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.3 | -174.8 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 561 | S | 80.4 | Confident | 92.6 | Very high | 99 Ų | 99 | 52.5 Ų | 52.5 | 69% | 0.692 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.1 | -176.5 | 69.2 | 0 | 0 | 0 | 0 | 114.7 | N559 | N559-S561 PolarHBondContact O-N 3.24Å; N559-S561 WeakPolarHBondContact OD1-CB 3.26Å; N559-S561 PolarHBondContact OD1-N 3.07Å; N559-S561 PolarHBondContact OD1-OG 3.44Å |
| 562 | V | 84.6 | Confident | 92.6 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 32% | 0.315 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -117.8 | 154.4 | -176 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | N559 K566 Q567 | N559-V562 HydrophobicContact CB-CG2 3.95Å; N559-V562 PolarHBondContact O-N 2.84Å; V562-K566 HydrophobicContact CB-CB 4Å; V562-K566 HydrophobicContact CG2-CB 3.87Å; V562-K566 WeakPolarHBondContact CG2-O 3.46Å; V562-Q567 PolarHBondContact O-NE2 3.16Å |
| 563 | S | 85.4 | Confident | 92.6 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 49% | 0.49 | 27% | 0.266 | S | S | . | . | trans | -61.7 | 159.5 | -179.8 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | H565 K566 | S563-H565 PolarHBondContact O-N 2.96Å; S563-K566 PolarHBondContact O-N 3.37Å | ||
| 564 | R | 83.3 | Confident | 92.6 | Very high | 155 Ų | 155 | 53.3 Ų | 53.3 | 59% | 0.585 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -50.6 | -34.2 | 179.4 | -177.9 | 177.1 | 169.6 | -178.6 | -4.2 | 113.4 | T518 K566 Q567 | T518-R564 PolarHBondContact OG1-NH2 3.37Å; R564-K566 VanDerWaalsContact C-N 3.28Å; R564-K566 PolarHBondContact O-N 2.78Å; R564-Q567 WeakPolarHBondContact O-CG 3.42Å |
| 565 | H | 85.9 | Confident | 92.6 | Very high | 124 Ų | 124 | 54.6 Ų | 54.6 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -79.4 | -4 | -179.5 | -68.9 | -68.3 | 0 | 0 | 0 | 115 | S563 F622 | S563-H565 PolarHBondContact O-N 2.96Å; H565-F622 HydrophobicContact CB-CD2 4.41Å; H565-F622 VanDerWaalsContact O-CD2 3.22Å; H565-F622 WeakPolarHBondContact O-CD2 3.38Å |
| 566 | K | 91.1 | Very high | 92.6 | Very high | 126 Ų | 126 | 61.2 Ų | 61.2 | 55% | 0.548 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -113 | 21.8 | 178.2 | -66.2 | -171.3 | 174.6 | -173.7 | 0 | 112.5 | V562 S563 R564 G619 | V562-K566 HydrophobicContact CB-CB 4Å; V562-K566 HydrophobicContact CG2-CB 3.87Å; V562-K566 WeakPolarHBondContact CG2-O 3.46Å; S563-K566 PolarHBondContact O-N 3.37Å; R564-K566 VanDerWaalsContact C-N 3.28Å; R564-K566 PolarHBondContact O-N 2.78Å; K566-G619 WeakPolarHBondContact O-CA 3.45Å |
| 567 | Q | 94.1 | Very high | 92.6 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -92 | 1.5 | -177 | -64.2 | -68.1 | -43.7 | 0 | 0 | 113.8 | R556 T557 N559 V562 R564 | R556-Q567 CarbonylContact C-O 3.5Å; R556-Q567 WeakPolarHBondContact CA-O 3.27Å; R556-Q567 WeakPolarHBondContact CG-O 3.34Å; T557-Q567 CarbonylContact C-O 3.43Å; T557-Q567 PolarHBondContact N-O 2.73Å; N559-Q567 PolarHBondContact O-NE2 3.19Å; N559-Q567 PolarHBondContact O-OE1 3.21Å; V562-Q567 PolarHBondContact O-NE2 3.16Å; R564-Q567 WeakPolarHBondContact O-CG 3.42Å |
| 568 | H | 97.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.9 | -172.3 | -64.1 | 83.7 | 0 | 0 | 0 | 111.4 | I520 L554 G555 G619 R620 G621 F622 | I520-H568 PolarHBondContact O-NE2 3.02Å; L554-H568 HydrophobicContact CD1-CB 4.42Å; G555-H568 CarbonylContact O-C 3.52Å; G555-H568 VanDerWaalsContact O-CA 3.28Å; G555-H568 WeakPolarHBondContact O-CA 3.19Å; H568-G619 CarbonylContact O-C 3.56Å; H568-G619 WeakPolarHBondContact O-CA 3.12Å; H568-R620 PolarHBondContact O-N 2.75Å; H568-G621 WeakPolarHBondContact O-CA 3.35Å; H568-G621 PolarHBondContact O-N 3.13Å; H568-F622 HydrophobicContact CB-CD1 4.35Å; H568-F622 HydrophobicContact CB-CE1 3.99Å; H568-F622 HydrophobicContact CB-CZ 4.28Å; H568-F622 AromaticContact CE1-CZ 3.77Å; H568-F622 AromaticContact CG-CE1 3.8Å; H568-F622 AromaticContact CG-CZ 3.79Å; H568-F622 AromaticContact ND1-CE1 3.76Å; H568-F622 AromaticContact ND1-CE2 3.86Å; H568-F622 AromaticContact ND1-CZ 3.24Å; H568-F622 WeakPolarHBondContact ND1-CZ 3.29Å |
| 569 | S | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 160.8 | -179.7 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | L554 G555 T557 E618 G619 | L554-S569 WeakPolarHBondContact CA-O 3.44Å; G555-S569 PolarHBondContact N-O 2.87Å; G555-S569 VanDerWaalsContact N-O 3.13Å; G555-S569 PolarHBondContact O-N 2.69Å; T557-S569 VanDerWaalsContact CG2-OG 3.26Å; T557-S569 WeakPolarHBondContact CG2-OG 3.38Å; T557-S569 PolarHBondContact OG1-OG 3.01Å; S569-E618 WeakPolarHBondContact OG-CA 3.05Å; S569-G619 PolarHBondContact OG-N 2.79Å |
| 570 | M | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.6 | 175.6 | -158.7 | 71.3 | 74.3 | 0 | 0 | 109.4 | F505 I552 V553 L554 I615 I624 S625 | F505-M570 HydrophobicContact CE2-CE 3.76Å; F505-M570 HydrophobicContact CE2-SD 3.72Å; F505-M570 HydrophobicContact CZ-CE 4Å; F505-M570 HydrophobicContact CZ-SD 4.47Å; I552-M570 HydrophobicContact CG2-CG 3.36Å; I552-M570 HydrophobicContact CG2-SD 3.54Å; I552-M570 VanDerWaalsContact CG2-SD 3.54Å; V553-M570 VanDerWaalsContact C-SD 3.53Å; V553-M570 WeakPolarHBondContact O-CA 3.49Å; V553-M570 VanDerWaalsContact O-SD 3.38Å; L554-M570 HydrophobicContact CB-CE 4.11Å; L554-M570 HydrophobicContact CB-SD 3.8Å; L554-M570 HydrophobicContact CD1-CE 3.53Å; L554-M570 HydrophobicContact CD1-SD 4.09Å; L554-M570 HydrophobicContact CG-CE 4.45Å; M570-I615 HydrophobicContact CB-CB 4.31Å; M570-I615 HydrophobicContact CB-CD1 4.38Å; M570-I615 HydrophobicContact CG-CD1 3.88Å; M570-I615 PolarHBondContact O-N 3.15Å; M570-I624 HydrophobicContact CB-CD1 3.76Å; M570-I624 HydrophobicContact CB-CG2 4.28Å; M570-I624 HydrophobicContact CE-CB 4.48Å; M570-I624 HydrophobicContact CE-CG2 4.17Å; M570-I624 HydrophobicContact CG-CG2 4.22Å; M570-S625 VanDerWaalsContact CE-OG 3.23Å; M570-S625 WeakPolarHBondContact CE-OG 3.33Å |
| 571 | I | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.9 | -174.5 | -163.6 | 161.5 | 0 | 0 | 0 | 111.5 | I524 Y531 I533 V553 V573 V609 N613 L614 | I524-I571 HydrophobicContact CD1-CG2 3.84Å; I524-I571 HydrophobicContact CG2-CD1 4.49Å; Y531-I571 HydrophobicContact CD2-CD1 3.56Å; Y531-I571 HydrophobicContact CE2-CD1 4.34Å; Y531-I571 HydrophobicContact CG-CD1 3.78Å; I533-I571 HydrophobicContact CD1-CD1 4.32Å; I533-I571 HydrophobicContact CD1-CG2 3.68Å; V553-I571 HydrophobicContact CB-CG2 4.09Å; V553-I571 PolarHBondContact N-O 3.33Å; V553-I571 PolarHBondContact O-N 2.81Å; I571-V573 HydrophobicContact CG2-CG2 4.08Å; I571-V609 HydrophobicContact CD1-CG2 3.56Å; I571-V609 HydrophobicContact CG1-CG2 4.07Å; I571-N613 HydrophobicContact CG1-CB 4.08Å; I571-L614 HydrophobicContact CB-CD1 4.46Å; I571-L614 HydrophobicContact CD1-CD1 4.4Å |
| 572 | L | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.7 | 175 | -71.2 | 165.2 | 0 | 0 | 0 | 110.5 | L480 Q488 I550 I552 N613 I615 | L480-L572 HydrophobicContact CD2-CD1 3.94Å; L480-L572 HydrophobicContact CD2-CD2 4.02Å; Q488-L572 HydrophobicContact CB-CD1 4.02Å; Q488-L572 HydrophobicContact CG-CD1 3.75Å; I550-L572 HydrophobicContact CD1-CB 4.18Å; I550-L572 HydrophobicContact CD1-CD2 4.18Å; I550-L572 HydrophobicContact CG1-CD2 3.92Å; I552-L572 HydrophobicContact CD1-CD2 4.36Å; I552-L572 HydrophobicContact CG1-CD2 3.85Å; L572-N613 HydrophobicContact CB-CB 4.18Å; L572-N613 PolarHBondContact N-O 3.49Å; L572-N613 WeakPolarHBondContact O-CB 3.49Å; L572-N613 PolarHBondContact O-ND2 3Å; L572-I615 HydrophobicContact CD1-CG1 4.3Å; L572-I615 HydrophobicContact CD2-CD1 4.12Å; L572-I615 HydrophobicContact CG-CD1 3.91Å; L572-I615 HydrophobicContact CG-CG1 3.94Å |
| 573 | V | 98.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 108.2 | 179.3 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | I533 A551 V553 I571 M575 V580 F604 V607 V609 | I533-V573 HydrophobicContact CD1-CG2 3.41Å; I533-V573 VanDerWaalsContact CD1-CG2 3.41Å; A551-V573 HydrophobicContact CB-CB 4.49Å; A551-V573 PolarHBondContact N-O 3.3Å; A551-V573 PolarHBondContact O-N 3.44Å; V553-V573 HydrophobicContact CB-CG2 4.27Å; V553-V573 HydrophobicContact CG2-CB 4.03Å; V553-V573 HydrophobicContact CG2-CG2 3.61Å; I571-V573 HydrophobicContact CG2-CG2 4.08Å; V573-M575 PolarHBondContact O-N 2.85Å; V573-V580 HydrophobicContact CG1-CG2 3.82Å; V573-F604 HydrophobicContact CB-CE1 4.28Å; V573-F604 HydrophobicContact CG1-CD1 4.33Å; V573-F604 HydrophobicContact CG1-CE1 3.94Å; V573-F604 HydrophobicContact CG2-CE1 4.42Å; V573-V607 HydrophobicContact CG1-CG1 3.79Å; V573-V609 HydrophobicContact CG1-CG1 4.29Å; V573-V609 HydrophobicContact CG2-CG1 4.48Å |
| 574 | P | 98.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 136.1 | 171.9 | -23.9 | 33.7 | 0 | 0 | 0 | 111 | W492 K549 I550 N576 T577 | W492-P574 HydrophobicContact CH2-CB 4.18Å; W492-P574 HydrophobicContact CH2-CG 3.97Å; W492-P574 HydrophobicContact CZ2-CG 3.85Å; K549-P574 WeakPolarHBondContact O-CA 3.49Å; I550-P574 HydrophobicContact CD1-CG 4.33Å; P574-N576 WeakPolarHBondContact CB-OD1 3.46Å; P574-N576 PolarHBondContact O-N 3.45Å; P574-N576 VanDerWaalsContact O-N 3.1Å; P574-T577 WeakPolarHBondContact CD-OG1 3.47Å; P574-T577 WeakPolarHBondContact O-CB 3.25Å; P574-T577 PolarHBondContact O-N 2.93Å; P574-T577 PolarHBondContact O-OG1 2.86Å; P574-T577 VanDerWaalsContact O-OG1 3.05Å |
| 575 | M | 98.7 | Very high | 97.4 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 14% | 0.138 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.3 | -175 | -69.6 | -61.8 | -61.8 | 0 | 0 | 113.5 | A543 C548 K549 A551 V573 V580 I582 I602 | A543-M575 HydrophobicContact CB-CE 4.46Å; C548-M575 WeakPolarHBondContact O-CG 3.49Å; K549-M575 PolarHBondContact O-N 3.28Å; A551-M575 HydrophobicContact CB-SD 3.8Å; V573-M575 PolarHBondContact O-N 2.85Å; M575-V580 HydrophobicContact CE-CG1 4.37Å; M575-I582 HydrophobicContact CE-CD1 3.75Å; M575-I582 HydrophobicContact CE-CG1 4.03Å; M575-I602 HydrophobicContact CE-CD1 4.21Å |
| 576 | N | 98.4 | Very high | 98 | Very high | 139 Ų | 139 | 44 Ų | 44 | 74% | 0.743 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5 | 177.6 | 68 | -20.4 | 0 | 0 | 0 | 113.5 | P574 | P574-N576 WeakPolarHBondContact CB-OD1 3.46Å; P574-N576 PolarHBondContact O-N 3.45Å; P574-N576 VanDerWaalsContact O-N 3.1Å |
| 577 | T | 98.7 | Very high | 98.3 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 13% | 0.129 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -64.5 | 133 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | P574 G579 V580 V607 R608 V609 | P574-T577 WeakPolarHBondContact CD-OG1 3.47Å; P574-T577 WeakPolarHBondContact O-CB 3.25Å; P574-T577 PolarHBondContact O-N 2.93Å; P574-T577 PolarHBondContact O-OG1 2.86Å; P574-T577 VanDerWaalsContact O-OG1 3.05Å; T577-G579 PolarHBondContact O-N 2.99Å; T577-V580 WeakPolarHBondContact O-CB 3.34Å; T577-V580 WeakPolarHBondContact O-CG2 3.37Å; T577-V580 PolarHBondContact O-N 2.78Å; T577-V580 VanDerWaalsContact O-N 3.11Å; T577-V607 HydrophobicContact CG2-CG1 3.69Å; T577-R608 WeakPolarHBondContact CG2-O 3.5Å; T577-V609 HydrophobicContact CG2-CG1 4.27Å |
| 578 | P | 98.8 | Very high | 98.5 | Very high | 111 Ų | 111 | 41.4 Ų | 41.4 | 72% | 0.721 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 134 | 177.2 | -27.9 | 35.5 | 0 | 0 | 0 | 112.1 | ||
| 579 | G | 98.5 | Very high | 98.5 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 22% | 0.216 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -6.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | T577 N605 V607 | T577-G579 PolarHBondContact O-N 2.99Å; G579-N605 VanDerWaalsContact CA-O 3.26Å; G579-N605 WeakPolarHBondContact CA-O 3.32Å; G579-N605 PolarHBondContact O-N 3.38Å; G579-V607 VanDerWaalsContact O-CG2 3.31Å; G579-V607 WeakPolarHBondContact O-CG2 3.46Å |
| 580 | V | 98.8 | Very high | 98.3 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 115.9 | 169 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | V573 M575 T577 I602 F604 V607 | V573-V580 HydrophobicContact CG1-CG2 3.82Å; M575-V580 HydrophobicContact CE-CG1 4.37Å; T577-V580 WeakPolarHBondContact O-CB 3.34Å; T577-V580 WeakPolarHBondContact O-CG2 3.37Å; T577-V580 PolarHBondContact O-N 2.78Å; T577-V580 VanDerWaalsContact O-N 3.11Å; V580-I602 HydrophobicContact CG1-CG2 4.06Å; V580-F604 HydrophobicContact CG2-CD1 4.15Å; V580-F604 HydrophobicContact CG2-CE1 4.22Å; V580-V607 HydrophobicContact CG2-CG1 3.91Å; V580-V607 HydrophobicContact CG2-CG2 3.75Å |
| 581 | E | 98.7 | Very high | 98.2 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 43% | 0.425 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 114.7 | -175.4 | -65.6 | 177 | -165.1 | 0 | 0 | 110.4 | I583 I602 H603 | E581-I583 HydrophobicContact CB-CD1 3.86Å; E581-I583 PolarHBondContact O-N 2.85Å; E581-I602 CarbonylContact O-C 3.53Å; E581-I602 VanDerWaalsContact O-CA 3.3Å; E581-I602 WeakPolarHBondContact O-CA 3.21Å; E581-H603 PolarHBondContact N-O 3.43Å; E581-H603 PolarHBondContact O-N 3.12Å |
| 582 | I | 98.4 | Very high | 98 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 112.3 | 171.1 | -59.2 | 178.4 | 0 | 0 | 0 | 107.7 | M575 F600 I602 | M575-I582 HydrophobicContact CE-CD1 3.75Å; M575-I582 HydrophobicContact CE-CG1 4.03Å; I582-F600 HydrophobicContact CG2-CB 4.06Å; I582-F600 HydrophobicContact CG2-CD1 3.2Å; I582-F600 HydrophobicContact CG2-CE1 3.8Å; I582-F600 HydrophobicContact CG2-CG 3.83Å; I582-I602 HydrophobicContact CG1-CG1 4.41Å |
| 583 | I | 98.6 | Very high | 97.9 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -55.6 | -168.3 | -56 | -54.9 | 0 | 0 | 0 | 111.9 | E581 E601 H603 | E581-I583 HydrophobicContact CB-CD1 3.86Å; E581-I583 PolarHBondContact O-N 2.85Å; I583-E601 HydrophobicContact CB-CB 4.3Å; I583-E601 HydrophobicContact CB-CG 4.37Å; I583-E601 PolarHBondContact N-O 3.36Å; I583-H603 HydrophobicContact CD1-CB 4.15Å; I583-H603 HydrophobicContact CG1-CB 4.21Å |
| 584 | R | 98.2 | Very high | 97.7 | Very high | 114 Ų | 114 | 55.6 Ų | 55.6 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 153.7 | -176.3 | 65.8 | -175.9 | 180 | 99.4 | 5.7 | 112.2 | L586 F600 E601 | R584-L586 VanDerWaalsContact CZ-CD2 3.48Å; R584-L586 VanDerWaalsContact NH1-CD2 3.27Å; R584-F600 VanDerWaalsContact C-CD1 3.47Å; R584-F600 WeakPolarHBondContact O-CA 3.33Å; R584-F600 WeakPolarHBondContact O-CD1 3.04Å; R584-E601 HydrophobicContact CG-CB 4.15Å; R584-E601 IonicContact CZ-OE2 2.82Å; R584-E601 IonicContact NE-OE2 3.06Å; R584-E601 PolarHBondContact NE-OE2 2.88Å; R584-E601 IonicContact NH2-OE2 3.36Å; R584-E601 PolarHBondContact NH2-OE2 2.93Å; R584-E601 PolarHBondContact O-N 2.89Å |
| 585 | P | 98.2 | Very high | 97.6 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 160.4 | 167.1 | 32.5 | -34.6 | 0 | 0 | 0 | 112 | W416 I592 H599 F600 | W416-P585 HydrophobicContact CH2-CB 3.53Å; W416-P585 HydrophobicContact CH2-CG 3.98Å; W416-P585 HydrophobicContact CZ2-CB 4.18Å; W416-P585 HydrophobicContact CZ2-CG 4.24Å; W416-P585 HydrophobicContact CZ3-CB 4.38Å; P585-I592 HydrophobicContact CB-CG2 4.22Å; P585-H599 CarbonylContact C-O 3.59Å; P585-H599 VanDerWaalsContact CA-O 3.31Å; P585-H599 WeakPolarHBondContact CA-O 3.49Å; P585-F600 HydrophobicContact CB-CD1 4.24Å; P585-F600 HydrophobicContact CB-CE1 3.81Å; P585-F600 HydrophobicContact CB-CE2 4.43Å; P585-F600 HydrophobicContact CB-CZ 3.93Å; P585-F600 HydrophobicContact CG-CE1 4.36Å |
| 586 | L | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.1 | 176.8 | -56.4 | 172.5 | 0 | 0 | 0 | 109 | W538 W539 R584 H599 | W538-L586 HydrophobicContact CB-CD1 4.18Å; W538-L586 HydrophobicContact CD2-CD1 4.36Å; W538-L586 HydrophobicContact CE3-CD1 3.73Å; W538-L586 HydrophobicContact CE3-CD2 4.26Å; W539-L586 HydrophobicContact CD2-CD1 3.6Å; W539-L586 HydrophobicContact CE3-CB 4.22Å; W539-L586 HydrophobicContact CE3-CD1 3.89Å; W539-L586 HydrophobicContact CG-CD1 3.95Å; W539-L586 HydrophobicContact CH2-CB 3.87Å; W539-L586 HydrophobicContact CH2-CD1 4.36Å; W539-L586 HydrophobicContact CZ2-CB 4.32Å; W539-L586 HydrophobicContact CZ2-CD1 4.12Å; W539-L586 HydrophobicContact CZ3-CB 3.8Å; W539-L586 HydrophobicContact CZ3-CD1 4.25Å; R584-L586 VanDerWaalsContact CZ-CD2 3.48Å; R584-L586 VanDerWaalsContact NH1-CD2 3.27Å; L586-H599 HydrophobicContact CB-CB 4.33Å; L586-H599 PolarHBondContact N-O 2.92Å |
| 587 | S | 97.9 | Very high | 97.3 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | trans | -104.1 | 151.5 | 178.3 | 66 | 0 | 0 | 0 | 0 | 112.7 | Y591 | S587-Y591 CarbonylContact C-O 3.49Å; S587-Y591 WeakPolarHBondContact CA-O 3.48Å; S587-Y591 WeakPolarHBondContact CB-O 3.38Å | ||
| 588 | V | 97.7 | Very high | 97.3 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -119.2 | 108.8 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 107.1 | W539 G590 Y591 A746 S750 | W539-V588 HydrophobicContact CH2-CG2 4.06Å; W539-V588 HydrophobicContact CZ3-CG2 3.8Å; V588-G590 PolarHBondContact O-N 2.81Å; V588-G590 VanDerWaalsContact O-N 3.12Å; V588-Y591 PolarHBondContact N-O 2.95Å; V588-Y591 WeakPolarHBondContact O-CB 3.36Å; V588-Y591 WeakPolarHBondContact O-CD2 3.38Å; V588-Y591 PolarHBondContact O-N 2.89Å; V588-A746 HydrophobicContact CG1-CB 4.16Å; V588-S750 VanDerWaalsContact CG1-OG 3.23Å; V588-S750 WeakPolarHBondContact CG1-OG 3.35Å |
| 589 | F | 97.4 | Very high | 97.2 | Very high | 133 Ų | 133 | 44.7 Ų | 44.7 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 30 | -173.2 | -57.2 | -70.9 | 0 | 0 | 0 | 114.1 | Y591 A746 R749 | F589-Y591 VanDerWaalsContact C-N 3.34Å; F589-Y591 HydrophobicContact CB-CD2 4.42Å; F589-A746 HydrophobicContact CD2-CB 3.82Å; F589-R749 HydrophobicContact CE2-CB 4.06Å; F589-R749 HydrophobicContact CE2-CG 3.79Å; F589-R749 HydrophobicContact CZ-CG 3.82Å |
| 590 | G | 95.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 0.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N411 V588 | N411-G590 PolarHBondContact ND2-O 2.98Å; N411-G590 PolarHBondContact OD1-O 2.7Å; N411-G590 VanDerWaalsContact OD1-O 3.1Å; V588-G590 PolarHBondContact O-N 2.81Å; V588-G590 VanDerWaalsContact O-N 3.12Å |
| 591 | Y | 95.3 | Very high | 97.3 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -86.5 | 131.9 | 166.3 | -59.6 | -72.9 | 0 | 0 | 0 | 110 | E410 S587 V588 F589 A742 A746 | E410-Y591 HydrophobicContact CG-CD1 4.3Å; E410-Y591 VanDerWaalsContact OE1-CA 3.23Å; E410-Y591 WeakPolarHBondContact OE1-CA 3.44Å; E410-Y591 WeakPolarHBondContact OE1-CB 3.48Å; S587-Y591 CarbonylContact C-O 3.49Å; S587-Y591 WeakPolarHBondContact CA-O 3.48Å; S587-Y591 WeakPolarHBondContact CB-O 3.38Å; V588-Y591 PolarHBondContact N-O 2.95Å; V588-Y591 WeakPolarHBondContact O-CB 3.36Å; V588-Y591 WeakPolarHBondContact O-CD2 3.38Å; V588-Y591 PolarHBondContact O-N 2.89Å; F589-Y591 VanDerWaalsContact C-N 3.34Å; F589-Y591 HydrophobicContact CB-CD2 4.42Å; Y591-A742 WeakPolarHBondContact OH-CB 3.48Å; Y591-A746 HydrophobicContact CD2-CB 4.06Å; Y591-A746 HydrophobicContact CE2-CB 4.34Å |
| 592 | I | 95.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | trans | -98.9 | -11.3 | 178.1 | -77.8 | -177.3 | 0 | 0 | 0 | 111.6 | E410 N411 W416 P585 N594 G598 | E410-I592 PolarHBondContact OE1-N 2.82Å; N411-I592 HydrophobicContact CB-CD1 4.47Å; N411-I592 WeakPolarHBondContact OD1-CD1 3.42Å; N411-I592 VanDerWaalsContact OD1-CG1 3.22Å; N411-I592 WeakPolarHBondContact OD1-CG1 3.36Å; W416-I592 HydrophobicContact CH2-CG2 3.22Å; W416-I592 HydrophobicContact CZ2-CG2 4.42Å; W416-I592 HydrophobicContact CZ3-CG2 3.37Å; P585-I592 HydrophobicContact CB-CG2 4.22Å; I592-N594 WeakPolarHBondContact CG2-OD1 3.15Å; I592-G598 VanDerWaalsContact O-CA 3.3Å; I592-G598 WeakPolarHBondContact O-CA 3.35Å | ||
| 593 | D | 96 | Very high | 97.3 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | trans | 61.5 | 44.5 | 175.9 | -162.7 | 23.5 | 0 | 0 | 0 | 113.1 | E410 F595 H596 G597 G598 H599 | E410-D593 PolarHBondContact OE1-N 2.78Å; D593-F595 PolarHBondContact O-N 3.15Å; D593-H596 PolarHBondContact O-N 3.03Å; D593-H596 IonicContact OD1-CE1 3.82Å; D593-H596 IonicContact OD1-CG 3.11Å; D593-H596 IonicContact OD1-ND1 3.94Å; D593-H596 PolarHBondContact OD1-ND1 2.94Å; D593-H596 IonicContact OD2-CG 2.91Å; D593-H596 IonicContact OD2-ND1 2.65Å; D593-H596 PolarHBondContact OD2-ND1 2.92Å; D593-G597 PolarHBondContact O-N 2.62Å; D593-G598 WeakPolarHBondContact O-CA 3.31Å; D593-G598 PolarHBondContact O-N 3.42Å; D593-H599 IonicContact OD2-NE2 2.66Å | ||
| 594 | N | 96.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -53.9 | -37.7 | -176.2 | -75.3 | 86.2 | 0 | 0 | 0 | 112.8 | N409 N411 S412 K415 W416 I592 H596 G597 | N409-N594 PolarHBondContact O-OD1 2.86Å; N411-N594 PolarHBondContact N-OD1 3.13Å; S412-N594 PolarHBondContact O-ND2 3.2Å; K415-N594 WeakPolarHBondContact O-CB 3.46Å; K415-N594 PolarHBondContact O-ND2 3.22Å; W416-N594 CarbonylContact C-O 3.12Å; W416-N594 WeakPolarHBondContact CA-O 3.49Å; I592-N594 WeakPolarHBondContact CG2-OD1 3.15Å; N594-H596 PolarHBondContact O-N 3.49Å; N594-G597 PolarHBondContact O-N 2.88Å; N594-G597 VanDerWaalsContact O-N 3.09Å |
| 595 | F | 95.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -62.8 | -40.6 | -176.5 | 179.9 | -88.3 | 0 | 0 | 0 | 113.4 | V402 F405 Y406 R418 I422 F461 F462 D593 G597 | V402-F595 HydrophobicContact CG1-CD2 4.29Å; V402-F595 HydrophobicContact CG1-CE2 3.54Å; V402-F595 HydrophobicContact CG1-CZ 4.09Å; F405-F595 HydrophobicContact CD1-CD2 4.48Å; Y406-F595 HydrophobicContact CD2-CB 3.87Å; Y406-F595 HydrophobicContact CE2-CB 4.4Å; R418-F595 HydrophobicContact CB-CE2 4.38Å; R418-F595 HydrophobicContact CG-CE1 4.5Å; R418-F595 HydrophobicContact CG-CE2 4.16Å; R418-F595 HydrophobicContact CG-CZ 4.14Å; I422-F595 HydrophobicContact CD1-CE2 4.41Å; I422-F595 HydrophobicContact CD1-CZ 4.01Å; I422-F595 HydrophobicContact CG1-CE2 4.21Å; I422-F595 HydrophobicContact CG1-CZ 4.05Å; F461-F595 AromaticContact CD2-CD1 3.92Å; F461-F595 HydrophobicContact CD2-CD1 3.92Å; F461-F595 HydrophobicContact CD2-CE1 4.04Å; F461-F595 HydrophobicContact CD2-CG 4.41Å; F461-F595 AromaticContact CE2-CD1 3.74Å; F461-F595 HydrophobicContact CE2-CD1 3.74Å; F461-F595 AromaticContact CE2-CD2 3.99Å; F461-F595 HydrophobicContact CE2-CD2 3.99Å; F461-F595 AromaticContact CE2-CE1 3.88Å; F461-F595 HydrophobicContact CE2-CE1 3.88Å; F461-F595 HydrophobicContact CE2-CE2 4.11Å; F461-F595 AromaticContact CE2-CG 3.81Å; F461-F595 HydrophobicContact CE2-CG 3.81Å; F461-F595 HydrophobicContact CE2-CZ 4.08Å; F462-F595 HydrophobicContact CB-CE1 3.5Å; F462-F595 VanDerWaalsContact CB-CE1 3.5Å; F462-F595 HydrophobicContact CB-CE2 4.39Å; F462-F595 HydrophobicContact CB-CZ 3.32Å; F462-F595 HydrophobicContact CG-CZ 4.31Å; D593-F595 PolarHBondContact O-N 3.15Å; F595-G597 VanDerWaalsContact C-N 3.26Å; F595-G597 PolarHBondContact O-N 3.25Å |
| 596 | H | 96.6 | Very high | 97.3 | Very high | 52 Ų | 52 | 37.5 Ų | 37.5 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -87.7 | 4.8 | 177.3 | -53.4 | 104.1 | 0 | 0 | 0 | 112.6 | F461 D465 G542 D593 N594 | F461-H596 PolarHBondContact O-NE2 3.23Å; D465-H596 IonicContact OD2-CD2 3.75Å; G542-H596 WeakPolarHBondContact CA-O 3.42Å; D593-H596 PolarHBondContact O-N 3.03Å; D593-H596 IonicContact OD1-CE1 3.82Å; D593-H596 IonicContact OD1-CG 3.11Å; D593-H596 IonicContact OD1-ND1 3.94Å; D593-H596 PolarHBondContact OD1-ND1 2.94Å; D593-H596 IonicContact OD2-CG 2.91Å; D593-H596 IonicContact OD2-ND1 2.65Å; D593-H596 PolarHBondContact OD2-ND1 2.92Å; N594-H596 PolarHBondContact O-N 3.49Å |
| 597 | G | 95.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 16.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G542 G544 D593 N594 F595 F600 | G542-G597 CarbonylContact C-O 3.57Å; G544-G597 WeakPolarHBondContact CA-O 3.42Å; G544-G597 PolarHBondContact N-O 2.71Å; D593-G597 PolarHBondContact O-N 2.62Å; N594-G597 PolarHBondContact O-N 2.88Å; N594-G597 VanDerWaalsContact O-N 3.09Å; F595-G597 VanDerWaalsContact C-N 3.26Å; F595-G597 PolarHBondContact O-N 3.25Å; G597-F600 VanDerWaalsContact O-CE2 3.29Å; G597-F600 WeakPolarHBondContact O-CE2 3.43Å |
| 598 | G | 97.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | trans | 65.7 | -172.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S541 G542 I592 D593 | S541-G598 CarbonylContact C-O 3.58Å; S541-G598 WeakPolarHBondContact CA-O 3.48Å; G542-G598 PolarHBondContact N-O 2.97Å; I592-G598 VanDerWaalsContact O-CA 3.3Å; I592-G598 WeakPolarHBondContact O-CA 3.35Å; D593-G598 WeakPolarHBondContact O-CA 3.31Å; D593-G598 PolarHBondContact O-N 3.42Å | ||
| 599 | H | 98.5 | Very high | 97.5 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 15% | 0.148 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.8 | 175.6 | -51.2 | -71.7 | 0 | 0 | 0 | 109.4 | W539 S541 P585 L586 D593 | W539-H599 HydrophobicContact CE3-CB 3.73Å; W539-H599 AromaticContact CE3-CG 3.99Å; W539-H599 HydrophobicContact CZ3-CB 4.08Å; S541-H599 PolarHBondContact OG-CE1 3.3Å; S541-H599 PolarHBondContact OG-ND1 3.21Å; P585-H599 CarbonylContact C-O 3.59Å; P585-H599 VanDerWaalsContact CA-O 3.31Å; P585-H599 WeakPolarHBondContact CA-O 3.49Å; L586-H599 HydrophobicContact CB-CB 4.33Å; L586-H599 PolarHBondContact N-O 2.92Å; D593-H599 IonicContact OD2-NE2 2.66Å |
| 600 | F | 98.8 | Very high | 97.5 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 151.3 | -170.4 | -74.5 | -98.4 | 0 | 0 | 0 | 113.8 | W416 W538 W539 S540 A543 G544 I582 R584 P585 G597 I602 | W416-F600 HydrophobicContact CD2-CE2 4.3Å; W416-F600 AromaticContact CD2-CZ 3.88Å; W416-F600 HydrophobicContact CD2-CZ 3.88Å; W416-F600 AromaticContact CE2-CZ 3.7Å; W416-F600 AromaticContact CE3-CE2 3.9Å; W416-F600 HydrophobicContact CE3-CE2 3.9Å; W416-F600 AromaticContact CE3-CZ 3.84Å; W416-F600 HydrophobicContact CE3-CZ 3.84Å; W416-F600 HydrophobicContact CH2-CE1 4.35Å; W416-F600 HydrophobicContact CH2-CE2 4.05Å; W416-F600 AromaticContact CH2-CZ 3.48Å; W416-F600 HydrophobicContact CH2-CZ 3.48Å; W416-F600 VanDerWaalsContact CH2-CZ 3.48Å; W416-F600 HydrophobicContact CZ2-CE1 4.24Å; W416-F600 HydrophobicContact CZ2-CE2 4.45Å; W416-F600 AromaticContact CZ2-CZ 3.53Å; W416-F600 HydrophobicContact CZ2-CZ 3.53Å; W416-F600 AromaticContact CZ3-CE2 3.76Å; W416-F600 HydrophobicContact CZ3-CE2 3.76Å; W416-F600 AromaticContact CZ3-CZ 3.65Å; W416-F600 HydrophobicContact CZ3-CZ 3.65Å; W538-F600 CarbonylContact C-O 3.51Å; W538-F600 WeakPolarHBondContact CA-O 3.46Å; W539-F600 PolarHBondContact N-O 3.16Å; W539-F600 VanDerWaalsContact N-O 3.15Å; S540-F600 PolarHBondContact N-O 3.12Å; S540-F600 VanDerWaalsContact N-O 3.08Å; S540-F600 PolarHBondContact O-N 3.39Å; A543-F600 HydrophobicContact CB-CB 4.13Å; A543-F600 HydrophobicContact CB-CD2 4.14Å; A543-F600 HydrophobicContact CB-CG 4.35Å; G544-F600 VanDerWaalsContact N-CE2 3.33Å; I582-F600 HydrophobicContact CG2-CB 4.06Å; I582-F600 HydrophobicContact CG2-CD1 3.2Å; I582-F600 HydrophobicContact CG2-CE1 3.8Å; I582-F600 HydrophobicContact CG2-CG 3.83Å; R584-F600 VanDerWaalsContact C-CD1 3.47Å; R584-F600 WeakPolarHBondContact O-CA 3.33Å; R584-F600 WeakPolarHBondContact O-CD1 3.04Å; P585-F600 HydrophobicContact CB-CD1 4.24Å; P585-F600 HydrophobicContact CB-CE1 3.81Å; P585-F600 HydrophobicContact CB-CE2 4.43Å; P585-F600 HydrophobicContact CB-CZ 3.93Å; P585-F600 HydrophobicContact CG-CE1 4.36Å; G597-F600 VanDerWaalsContact O-CE2 3.29Å; G597-F600 WeakPolarHBondContact O-CE2 3.43Å; F600-I602 HydrophobicContact CB-CG1 4.28Å |
| 601 | E | 98.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 11% | 0.107 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 129.9 | 157 | -171.3 | 175.2 | 159.4 | 0 | 0 | 109.1 | K537 W538 I583 R584 H603 | K537-E601 CarbonylContact O-C 3.6Å; K537-E601 WeakPolarHBondContact O-CA 3.45Å; W538-E601 HydrophobicContact CB-CB 4.24Å; W538-E601 HydrophobicContact CB-CG 4.22Å; I583-E601 HydrophobicContact CB-CB 4.3Å; I583-E601 HydrophobicContact CB-CG 4.37Å; I583-E601 PolarHBondContact N-O 3.36Å; R584-E601 HydrophobicContact CG-CB 4.15Å; R584-E601 IonicContact CZ-OE2 2.82Å; R584-E601 IonicContact NE-OE2 3.06Å; R584-E601 PolarHBondContact NE-OE2 2.88Å; R584-E601 IonicContact NH2-OE2 3.36Å; R584-E601 PolarHBondContact NH2-OE2 2.93Å; R584-E601 PolarHBondContact O-N 2.89Å; E601-H603 IonicContact OE1-CD2 3.31Å; E601-H603 IonicContact OE1-CE1 3.33Å; E601-H603 IonicContact OE1-NE2 3.39Å; E601-H603 PolarHBondContact OE1-NE2 3.09Å |
| 602 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.3 | -177.7 | -54.3 | 176.5 | 0 | 0 | 0 | 108.2 | K537 A543 M575 V580 E581 I582 F600 F604 | K537-I602 PolarHBondContact N-O 3.49Å; K537-I602 PolarHBondContact O-N 3.24Å; K537-I602 VanDerWaalsContact O-O 3.13Å; A543-I602 HydrophobicContact CB-CD1 3.79Å; M575-I602 HydrophobicContact CE-CD1 4.21Å; V580-I602 HydrophobicContact CG1-CG2 4.06Å; E581-I602 CarbonylContact O-C 3.53Å; E581-I602 VanDerWaalsContact O-CA 3.3Å; E581-I602 WeakPolarHBondContact O-CA 3.21Å; I582-I602 HydrophobicContact CG1-CG1 4.41Å; F600-I602 HydrophobicContact CB-CG1 4.28Å; I602-F604 HydrophobicContact CB-CE2 4.43Å; I602-F604 HydrophobicContact CG2-CE2 3.96Å; I602-F604 HydrophobicContact CG2-CZ 4.01Å |
| 603 | H | 98.9 | Very high | 97.9 | Very high | 46 Ų | 46 | 36.4 Ų | 36.4 | 21% | 0.213 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 139.2 | 173 | -66.2 | -176.3 | 0 | 0 | 0 | 109.5 | E581 I583 E601 | E581-H603 PolarHBondContact N-O 3.43Å; E581-H603 PolarHBondContact O-N 3.12Å; I583-H603 HydrophobicContact CD1-CB 4.15Å; I583-H603 HydrophobicContact CG1-CB 4.21Å; E601-H603 IonicContact OE1-CD2 3.31Å; E601-H603 IonicContact OE1-CE1 3.33Å; E601-H603 IonicContact OE1-NE2 3.39Å; E601-H603 PolarHBondContact OE1-NE2 3.09Å |
| 604 | F | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 106.9 | 170.9 | -61.8 | -93 | 0 | 0 | 0 | 106.2 | C506 I533 N534 G535 K537 V553 V573 V580 I602 V607 | C506-F604 HydrophobicContact CB-CE2 4.41Å; C506-F604 HydrophobicContact CB-CZ 4.35Å; I533-F604 HydrophobicContact CG2-CB 3.98Å; I533-F604 HydrophobicContact CG2-CD1 4.34Å; I533-F604 HydrophobicContact CG2-CG 4.17Å; N534-F604 CarbonylContact C-O 3.59Å; N534-F604 VanDerWaalsContact CA-O 3.27Å; N534-F604 WeakPolarHBondContact CA-O 3.24Å; G535-F604 PolarHBondContact N-O 3.01Å; G535-F604 PolarHBondContact O-N 3.31Å; K537-F604 HydrophobicContact CB-CE2 4.09Å; K537-F604 HydrophobicContact CG-CD2 4.17Å; K537-F604 HydrophobicContact CG-CE2 3.71Å; V553-F604 HydrophobicContact CG1-CE2 4.38Å; V553-F604 HydrophobicContact CG1-CZ 4.3Å; V553-F604 HydrophobicContact CG2-CE1 3.81Å; V553-F604 HydrophobicContact CG2-CE2 4.44Å; V553-F604 HydrophobicContact CG2-CZ 3.6Å; V573-F604 HydrophobicContact CB-CE1 4.28Å; V573-F604 HydrophobicContact CG1-CD1 4.33Å; V573-F604 HydrophobicContact CG1-CE1 3.94Å; V573-F604 HydrophobicContact CG2-CE1 4.42Å; V580-F604 HydrophobicContact CG2-CD1 4.15Å; V580-F604 HydrophobicContact CG2-CE1 4.22Å; I602-F604 HydrophobicContact CB-CE2 4.43Å; I602-F604 HydrophobicContact CG2-CE2 3.96Å; I602-F604 HydrophobicContact CG2-CZ 4.01Å; F604-V607 HydrophobicContact CB-CB 4.49Å; F604-V607 HydrophobicContact CB-CG2 3.98Å; F604-V607 HydrophobicContact CD1-CB 4.44Å; F604-V607 HydrophobicContact CD1-CG2 4.09Å |
| 605 | N | 98.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 35.8 Ų | 35.8 | 48% | 0.481 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 101.9 | -178.1 | -179.5 | 24.8 | 0 | 0 | 0 | 109.7 | G579 V607 | G579-N605 VanDerWaalsContact CA-O 3.26Å; G579-N605 WeakPolarHBondContact CA-O 3.32Å; G579-N605 PolarHBondContact O-N 3.38Å; N605-V607 PolarHBondContact O-N 3.32Å |
| 606 | Q | 98.4 | Very high | 98.2 | Very high | 124 Ų | 124 | 39.6 Ų | 39.6 | 58% | 0.579 | 20% | 0.203 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 37 | -178.2 | -65.3 | -71.6 | 106.5 | 0 | 0 | 113.4 | N534 R608 | N534-Q606 PolarHBondContact ND2-OE1 3.17Å; N534-Q606 PolarHBondContact OD1-N 3.2Å; N534-Q606 PolarHBondContact OD1-OE1 3.46Å; Q606-R608 PolarHBondContact O-N 3Å |
| 607 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 116.8 | -176.7 | 175 | 0 | 0 | 0 | 0 | 109.4 | V532 I533 V573 T577 G579 V580 F604 N605 V609 | V532-V607 CarbonylContact C-O 3.54Å; V532-V607 WeakPolarHBondContact CA-O 3.25Å; I533-V607 HydrophobicContact CB-CB 4.26Å; I533-V607 PolarHBondContact N-O 3.04Å; I533-V607 PolarHBondContact O-N 3.36Å; I533-V607 VanDerWaalsContact O-N 3.09Å; V573-V607 HydrophobicContact CG1-CG1 3.79Å; T577-V607 HydrophobicContact CG2-CG1 3.69Å; G579-V607 VanDerWaalsContact O-CG2 3.31Å; G579-V607 WeakPolarHBondContact O-CG2 3.46Å; V580-V607 HydrophobicContact CG2-CG1 3.91Å; V580-V607 HydrophobicContact CG2-CG2 3.75Å; F604-V607 HydrophobicContact CB-CB 4.49Å; F604-V607 HydrophobicContact CB-CG2 3.98Å; F604-V607 HydrophobicContact CD1-CB 4.44Å; F604-V607 HydrophobicContact CD1-CG2 4.09Å; N605-V607 PolarHBondContact O-N 3.32Å; V607-V609 HydrophobicContact CG1-CG1 4.35Å |
| 608 | R | 98.8 | Very high | 98.3 | Very high | 119 Ų | 119 | 42.1 Ų | 42.1 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.7 | 179.4 | -172.3 | 176.8 | -68.8 | -90.2 | 4.7 | 111.4 | D527 S530 Y531 T577 Q606 | D527-R608 IonicContact OD2-CZ 2.71Å; D527-R608 IonicContact OD2-NH1 3.67Å; D527-R608 PolarHBondContact OD2-NH1 3.18Å; D527-R608 IonicContact OD2-NH2 3.34Å; D527-R608 PolarHBondContact OD2-NH2 3.32Å; S530-R608 PolarHBondContact OG-NH1 3.4Å; Y531-R608 VanDerWaalsContact O-CA 3.3Å; Y531-R608 WeakPolarHBondContact O-CA 3.45Å; T577-R608 WeakPolarHBondContact CG2-O 3.5Å; Q606-R608 PolarHBondContact O-N 3Å |
| 609 | V | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.1 | 175.2 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | S530 Y531 I533 I571 V573 T577 V607 N613 | S530-V609 CarbonylContact C-O 3.47Å; S530-V609 VanDerWaalsContact CA-O 3.26Å; S530-V609 WeakPolarHBondContact CA-O 3.36Å; S530-V609 WeakPolarHBondContact CB-O 3.48Å; Y531-V609 PolarHBondContact N-O 3.35Å; Y531-V609 PolarHBondContact O-N 3.04Å; I533-V609 HydrophobicContact CD1-CG2 4.04Å; I571-V609 HydrophobicContact CD1-CG2 3.56Å; I571-V609 HydrophobicContact CG1-CG2 4.07Å; V573-V609 HydrophobicContact CG1-CG1 4.29Å; V573-V609 HydrophobicContact CG2-CG1 4.48Å; T577-V609 HydrophobicContact CG2-CG1 4.27Å; V607-V609 HydrophobicContact CG1-CG1 4.35Å; V609-N613 HydrophobicContact CB-CB 4.29Å; V609-N613 HydrophobicContact CG2-CB 4.2Å |
| 610 | P | 98.6 | Very high | 98 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 149.6 | 175.6 | -25 | 35.1 | 0 | 0 | 0 | 112.5 | T612 N613 | P610-T612 PolarHBondContact O-N 3.12Å; P610-T612 VanDerWaalsContact O-N 3.16Å; P610-N613 VanDerWaalsContact O-CB 3.31Å; P610-N613 WeakPolarHBondContact O-CB 3.25Å; P610-N613 PolarHBondContact O-N 3.14Å |
| 611 | A | 98.3 | Very high | 97.7 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -60.6 | -26.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D529 Y531 N613 L614 | D529-A611 WeakPolarHBondContact O-CB 3.39Å; D529-A611 PolarHBondContact O-N 3.46Å; Y531-A611 HydrophobicContact CD2-CB 4.37Å; Y531-A611 HydrophobicContact CE2-CB 4.03Å; A611-N613 PolarHBondContact O-N 3.37Å; A611-L614 WeakPolarHBondContact O-CB 3.41Å; A611-L614 PolarHBondContact O-N 2.81Å |
| 612 | T | 98.3 | Very high | 97.3 | Very high | 110 Ų | 110 | 46.3 Ų | 46.3 | 68% | 0.675 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -67.7 | -8.9 | 174.6 | 55 | 0 | 0 | 0 | 0 | 113.8 | Q488 P610 L614 | Q488-T612 PolarHBondContact NE2-O 3.11Å; P610-T612 PolarHBondContact O-N 3.12Å; P610-T612 VanDerWaalsContact O-N 3.16Å; T612-L614 VanDerWaalsContact C-N 3.29Å |
| 613 | N | 98.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -78.9 | -11 | 172.7 | -77.7 | 28.6 | 0 | 0 | 0 | 113.4 | I571 L572 V609 P610 A611 I615 | I571-N613 HydrophobicContact CG1-CB 4.08Å; L572-N613 HydrophobicContact CB-CB 4.18Å; L572-N613 PolarHBondContact N-O 3.49Å; L572-N613 WeakPolarHBondContact O-CB 3.49Å; L572-N613 PolarHBondContact O-ND2 3Å; V609-N613 HydrophobicContact CB-CB 4.29Å; V609-N613 HydrophobicContact CG2-CB 4.2Å; P610-N613 VanDerWaalsContact O-CB 3.31Å; P610-N613 WeakPolarHBondContact O-CB 3.25Å; P610-N613 PolarHBondContact O-N 3.14Å; A611-N613 PolarHBondContact O-N 3.37Å; N613-I615 PolarHBondContact O-N 3.48Å |
| 614 | L | 98.6 | Very high | 96.6 | Very high | 24 Ų | 24 | 48.2 Ų | 48.2 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 132.6 | 175.9 | -166.1 | 77 | 0 | 0 | 0 | 110.2 | Q488 Y531 I571 A611 T612 E618 | Q488-L614 PolarHBondContact NE2-O 3.3Å; Y531-L614 HydrophobicContact CE2-CB 4Å; Y531-L614 HydrophobicContact CE2-CD1 4.16Å; Y531-L614 HydrophobicContact CE2-CD2 4.38Å; Y531-L614 HydrophobicContact CE2-CG 4.43Å; I571-L614 HydrophobicContact CB-CD1 4.46Å; I571-L614 HydrophobicContact CD1-CD1 4.4Å; A611-L614 WeakPolarHBondContact O-CB 3.41Å; A611-L614 PolarHBondContact O-N 2.81Å; T612-L614 VanDerWaalsContact C-N 3.29Å; L614-E618 HydrophobicContact CD2-CB 4.49Å; L614-E618 HydrophobicContact CD2-CG 3.74Å |
| 615 | I | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -90.2 | 126.1 | 179.3 | -52.6 | 178.7 | 0 | 0 | 0 | 108.4 | V479 I552 M570 L572 N613 G617 I624 | V479-I615 HydrophobicContact CG1-CD1 3.89Å; V479-I615 HydrophobicContact CG1-CG2 4.12Å; I552-I615 HydrophobicContact CD1-CD1 4.26Å; I552-I615 HydrophobicContact CG1-CD1 4.48Å; I552-I615 HydrophobicContact CG2-CD1 4Å; M570-I615 HydrophobicContact CB-CB 4.31Å; M570-I615 HydrophobicContact CB-CD1 4.38Å; M570-I615 HydrophobicContact CG-CD1 3.88Å; M570-I615 PolarHBondContact O-N 3.15Å; L572-I615 HydrophobicContact CD1-CG1 4.3Å; L572-I615 HydrophobicContact CD2-CD1 4.12Å; L572-I615 HydrophobicContact CG-CD1 3.91Å; L572-I615 HydrophobicContact CG-CG1 3.94Å; N613-I615 PolarHBondContact O-N 3.48Å; I615-G617 PolarHBondContact O-N 2.95Å; I615-I624 HydrophobicContact CB-CD1 4.21Å; I615-I624 HydrophobicContact CG2-CD1 4.06Å; I615-I624 WeakPolarHBondContact O-CD1 3.44Å |
| 616 | L | 97.4 | Very high | 95.2 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 62.1 | -58.3 | -178.4 | -170.7 | 62.7 | 0 | 0 | 0 | 116 | Y483 R620 I624 | Y483-L616 HydrophobicContact CD1-CD2 3.94Å; Y483-L616 HydrophobicContact CE1-CD2 4.47Å; L616-R620 HydrophobicContact CD2-CB 3.97Å; L616-R620 HydrophobicContact CD2-CG 4.14Å; L616-R620 HydrophobicContact CG-CB 4.43Å; L616-R620 HydrophobicContact CG-CG 4.3Å; L616-I624 HydrophobicContact CB-CD1 4Å; L616-I624 HydrophobicContact CD2-CD1 4.49Å; L616-I624 HydrophobicContact CD2-CG1 4.26Å |
| 617 | G | 95.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | trans | 166.6 | 164.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | I615 R620 | I615-G617 PolarHBondContact O-N 2.95Å; G617-R620 WeakPolarHBondContact O-CB 3.35Å; G617-R620 WeakPolarHBondContact O-CG 3.49Å; G617-R620 PolarHBondContact O-N 2.87Å | ||
| 618 | E | 96.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 43.5 Ų | 43.5 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 141.4 | 179.1 | -68.9 | -176.3 | -161.1 | 0 | 0 | 111.2 | R526 Y531 S569 L614 R620 | R526-E618 IonicContact NH1-OE1 2.71Å; Y531-E618 WeakPolarHBondContact OH-CG 3.34Å; Y531-E618 PolarHBondContact OH-OE1 3.33Å; S569-E618 WeakPolarHBondContact OG-CA 3.05Å; L614-E618 HydrophobicContact CD2-CB 4.49Å; L614-E618 HydrophobicContact CD2-CG 3.74Å; E618-R620 PolarHBondContact O-N 2.84Å |
| 619 | G | 94.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 5.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K566 H568 S569 | K566-G619 WeakPolarHBondContact O-CA 3.45Å; H568-G619 CarbonylContact O-C 3.56Å; H568-G619 WeakPolarHBondContact O-CA 3.12Å; S569-G619 PolarHBondContact OG-N 2.79Å |
| 620 | R | 95.5 | Very high | 92.1 | Very high | 106 Ų | 106 | 38.5 Ų | 38.5 | 40% | 0.4 | 21% | 0.208 | S | C | . | . | trans | -95.5 | 7.2 | 180 | -52.4 | -62 | -71.8 | -105.5 | -2.1 | 113.9 | H568 L616 G617 E618 F622 E623 I624 | H568-R620 PolarHBondContact O-N 2.75Å; L616-R620 HydrophobicContact CD2-CB 3.97Å; L616-R620 HydrophobicContact CD2-CG 4.14Å; L616-R620 HydrophobicContact CG-CB 4.43Å; L616-R620 HydrophobicContact CG-CG 4.3Å; G617-R620 WeakPolarHBondContact O-CB 3.35Å; G617-R620 WeakPolarHBondContact O-CG 3.49Å; G617-R620 PolarHBondContact O-N 2.87Å; E618-R620 PolarHBondContact O-N 2.84Å; R620-F622 PolarHBondContact O-N 3.08Å; R620-E623 IonicContact CZ-OE1 3.36Å; R620-E623 IonicContact CZ-OE2 3.95Å; R620-E623 IonicContact NE-OE1 3.79Å; R620-E623 IonicContact NE-OE2 3.35Å; R620-E623 PolarHBondContact NE-OE2 3.43Å; R620-E623 IonicContact NH2-OE1 2.86Å; R620-E623 PolarHBondContact NH2-OE1 3.5Å; R620-E623 IonicContact NH2-OE2 3.55Å; R620-E623 PolarHBondContact NH2-OE2 2.96Å; R620-E623 PolarHBondContact O-N 3.37Å; R620-I624 HydrophobicContact CB-CD1 4.23Å; R620-I624 WeakPolarHBondContact O-CG1 3.39Å; R620-I624 PolarHBondContact O-N 3.35Å; R620-I624 VanDerWaalsContact O-N 3.1Å | ||
| 621 | G | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -40.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H568 S625 | H568-G621 WeakPolarHBondContact O-CA 3.35Å; H568-G621 PolarHBondContact O-N 3.13Å; G621-S625 WeakPolarHBondContact O-CB 3.27Å; G621-S625 PolarHBondContact O-N 2.92Å; G621-S625 PolarHBondContact O-OG 3.3Å |
| 622 | F | 90.3 | Very high | 90.8 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.5 | -36.4 | 177.8 | -68.6 | -19.8 | 0 | 0 | 0 | 113.5 | A517 T518 H565 H568 R620 S625 Q626 | A517-F622 HydrophobicContact CB-CD1 4.12Å; A517-F622 HydrophobicContact CB-CE1 3.47Å; A517-F622 VanDerWaalsContact CB-CE1 3.47Å; A517-F622 HydrophobicContact CB-CZ 4.04Å; A517-F622 WeakPolarHBondContact O-CE1 3.4Å; A517-F622 WeakPolarHBondContact O-CZ 3.3Å; T518-F622 HydrophobicContact CG2-CE2 3.86Å; T518-F622 HydrophobicContact CG2-CZ 3.92Å; H565-F622 HydrophobicContact CB-CD2 4.41Å; H565-F622 VanDerWaalsContact O-CD2 3.22Å; H565-F622 WeakPolarHBondContact O-CD2 3.38Å; H568-F622 HydrophobicContact CB-CD1 4.35Å; H568-F622 HydrophobicContact CB-CE1 3.99Å; H568-F622 HydrophobicContact CB-CZ 4.28Å; H568-F622 AromaticContact CE1-CZ 3.77Å; H568-F622 AromaticContact CG-CE1 3.8Å; H568-F622 AromaticContact CG-CZ 3.79Å; H568-F622 AromaticContact ND1-CE1 3.76Å; H568-F622 AromaticContact ND1-CE2 3.86Å; H568-F622 AromaticContact ND1-CZ 3.24Å; H568-F622 WeakPolarHBondContact ND1-CZ 3.29Å; R620-F622 PolarHBondContact O-N 3.08Å; F622-S625 PolarHBondContact O-N 3.26Å; F622-Q626 WeakPolarHBondContact O-CG 3.19Å; F622-Q626 PolarHBondContact O-N 3.45Å |
| 623 | E | 89.4 | Confident | 90.6 | Very high | 86 Ų | 86 | 31.4 Ų | 31.4 | 40% | 0.402 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.5 | -49.7 | 175.3 | 179.2 | -180 | 159.3 | 0 | 0 | 110.7 | R620 S625 Q626 G627 | R620-E623 IonicContact CZ-OE1 3.36Å; R620-E623 IonicContact CZ-OE2 3.95Å; R620-E623 IonicContact NE-OE1 3.79Å; R620-E623 IonicContact NE-OE2 3.35Å; R620-E623 PolarHBondContact NE-OE2 3.43Å; R620-E623 IonicContact NH2-OE1 2.86Å; R620-E623 PolarHBondContact NH2-OE1 3.5Å; R620-E623 IonicContact NH2-OE2 3.55Å; R620-E623 PolarHBondContact NH2-OE2 2.96Å; R620-E623 PolarHBondContact O-N 3.37Å; E623-S625 VanDerWaalsContact C-N 3.3Å; E623-S625 PolarHBondContact O-N 2.92Å; E623-Q626 PolarHBondContact O-N 3.31Å; E623-G627 PolarHBondContact O-N 3.41Å |
| 624 | I | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 177.2 | -61.9 | 163.8 | 0 | 0 | 0 | 110.4 | V479 Y483 M570 I615 L616 R620 Q626 G627 R628 | V479-I624 HydrophobicContact CB-CG2 4.47Å; V479-I624 HydrophobicContact CG1-CG2 3.67Å; V479-I624 HydrophobicContact CG2-CG2 4.01Å; Y483-I624 HydrophobicContact CD2-CB 4.39Å; Y483-I624 HydrophobicContact CD2-CG1 4.15Å; Y483-I624 HydrophobicContact CD2-CG2 3.94Å; Y483-I624 HydrophobicContact CE2-CB 4.46Å; Y483-I624 HydrophobicContact CE2-CG1 4.47Å; Y483-I624 HydrophobicContact CE2-CG2 4.25Å; Y483-I624 HydrophobicContact CG-CG1 4.23Å; M570-I624 HydrophobicContact CB-CD1 3.76Å; M570-I624 HydrophobicContact CB-CG2 4.28Å; M570-I624 HydrophobicContact CE-CB 4.48Å; M570-I624 HydrophobicContact CE-CG2 4.17Å; M570-I624 HydrophobicContact CG-CG2 4.22Å; I615-I624 HydrophobicContact CB-CD1 4.21Å; I615-I624 HydrophobicContact CG2-CD1 4.06Å; I615-I624 WeakPolarHBondContact O-CD1 3.44Å; L616-I624 HydrophobicContact CB-CD1 4Å; L616-I624 HydrophobicContact CD2-CD1 4.49Å; L616-I624 HydrophobicContact CD2-CG1 4.26Å; R620-I624 HydrophobicContact CB-CD1 4.23Å; R620-I624 WeakPolarHBondContact O-CG1 3.39Å; R620-I624 PolarHBondContact O-N 3.35Å; R620-I624 VanDerWaalsContact O-N 3.1Å; I624-Q626 PolarHBondContact O-N 2.94Å; I624-G627 PolarHBondContact O-N 3.34Å; I624-R628 WeakPolarHBondContact O-CB 3.19Å; I624-R628 PolarHBondContact O-N 3.27Å |
| 625 | S | 88.4 | Confident | 90.4 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 178 | -59 | 0 | 0 | 0 | 0 | 112.3 | M570 G621 F622 E623 L629 | M570-S625 VanDerWaalsContact CE-OG 3.23Å; M570-S625 WeakPolarHBondContact CE-OG 3.33Å; G621-S625 WeakPolarHBondContact O-CB 3.27Å; G621-S625 PolarHBondContact O-N 2.92Å; G621-S625 PolarHBondContact O-OG 3.3Å; F622-S625 PolarHBondContact O-N 3.26Å; E623-S625 VanDerWaalsContact C-N 3.3Å; E623-S625 PolarHBondContact O-N 2.92Å; S625-L629 VanDerWaalsContact O-CB 3.22Å; S625-L629 WeakPolarHBondContact O-CB 3.26Å; S625-L629 WeakPolarHBondContact O-CD1 3.38Å; S625-L629 WeakPolarHBondContact O-CG 3.27Å; S625-L629 PolarHBondContact O-N 2.95Å |
| 626 | Q | 81.4 | Confident | 90.5 | Very high | 95 Ų | 95 | 31.6 Ų | 31.6 | 44% | 0.444 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -69.4 | -39.9 | 176 | -67.8 | -61.3 | -40.8 | 0 | 0 | 111.8 | F622 E623 I624 R628 L629 G630 | F622-Q626 WeakPolarHBondContact O-CG 3.19Å; F622-Q626 PolarHBondContact O-N 3.45Å; E623-Q626 PolarHBondContact O-N 3.31Å; I624-Q626 PolarHBondContact O-N 2.94Å; Q626-R628 VanDerWaalsContact C-N 3.28Å; Q626-R628 PolarHBondContact O-N 3.32Å; Q626-L629 PolarHBondContact O-N 2.86Å; Q626-G630 PolarHBondContact O-N 3.12Å; Q626-G630 VanDerWaalsContact O-N 3.14Å |
| 627 | G | 78.3 | Confident | 90.5 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | E623 I624 P631 | E623-G627 PolarHBondContact O-N 3.41Å; I624-G627 PolarHBondContact O-N 3.34Å; G627-P631 WeakPolarHBondContact O-CD 3.31Å |
| 628 | R | 86.5 | Confident | 90.7 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.5 | -51.8 | 175.3 | -178 | -151.8 | 177.9 | 104.2 | 15.8 | 113.9 | P472 N476 V479 F505 I624 Q626 G630 P631 G632 | P472-R628 PolarHBondContact O-NH2 3.01Å; N476-R628 PolarHBondContact OD1-NH1 3.41Å; N476-R628 PolarHBondContact OD1-NH2 3.08Å; V479-R628 HydrophobicContact CG2-CB 3.56Å; V479-R628 HydrophobicContact CG2-CG 3.74Å; F505-R628 VanDerWaalsContact CB-NH2 3.27Å; F505-R628 VanDerWaalsContact CE2-NH1 3.34Å; I624-R628 WeakPolarHBondContact O-CB 3.19Å; I624-R628 PolarHBondContact O-N 3.27Å; Q626-R628 VanDerWaalsContact C-N 3.28Å; Q626-R628 PolarHBondContact O-N 3.32Å; R628-G630 VanDerWaalsContact C-N 3.26Å; R628-G630 PolarHBondContact O-N 2.8Å; R628-P631 WeakPolarHBondContact O-CD 3.39Å; R628-G632 PolarHBondContact O-N 2.99Å |
| 629 | L | 82 | Confident | 90.8 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 7% | 0.068 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.8 | -20.5 | -168.3 | -68 | 171 | 0 | 0 | 0 | 111.7 | S625 Q626 R633 D755 | S625-L629 VanDerWaalsContact O-CB 3.22Å; S625-L629 WeakPolarHBondContact O-CB 3.26Å; S625-L629 WeakPolarHBondContact O-CD1 3.38Å; S625-L629 WeakPolarHBondContact O-CG 3.27Å; S625-L629 PolarHBondContact O-N 2.95Å; Q626-L629 PolarHBondContact O-N 2.86Å; L629-R633 VanDerWaalsContact O-CB 3.31Å; L629-R633 WeakPolarHBondContact O-CB 3.26Å; L629-R633 WeakPolarHBondContact O-CD 3.43Å; L629-R633 WeakPolarHBondContact O-CG 3.34Å; L629-R633 PolarHBondContact O-N 3.01Å; L629-D755 HydrophobicContact CD2-CB 4.31Å; L629-D755 WeakPolarHBondContact CD2-OD1 3.23Å |
| 630 | G | 82.8 | Confident | 91 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 4% | 0.041 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.8 | -66.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q626 R628 G632 R633 I634 | Q626-G630 PolarHBondContact O-N 3.12Å; Q626-G630 VanDerWaalsContact O-N 3.14Å; R628-G630 VanDerWaalsContact C-N 3.26Å; R628-G630 PolarHBondContact O-N 2.8Å; G630-G632 PolarHBondContact O-N 3.09Å; G630-R633 PolarHBondContact O-N 3.14Å; G630-I634 PolarHBondContact O-N 2.88Å |
| 631 | P | 83.2 | Confident | 91.1 | Very high | 14 Ų | 14 | 18.7 Ų | 18.7 | 9% | 0.091 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 176.5 | -22.4 | 33.3 | 0 | 0 | 0 | 113.3 | E478 G627 R628 R633 I634 H635 M696 | E478-P631 WeakPolarHBondContact OE2-CB 3.38Å; E478-P631 VanDerWaalsContact OE2-CG 3.24Å; E478-P631 WeakPolarHBondContact OE2-CG 3.4Å; G627-P631 WeakPolarHBondContact O-CD 3.31Å; R628-P631 WeakPolarHBondContact O-CD 3.39Å; P631-R633 VanDerWaalsContact C-N 3.34Å; P631-R633 PolarHBondContact O-N 2.92Å; P631-I634 WeakPolarHBondContact O-CG2 3.35Å; P631-I634 PolarHBondContact O-N 3.31Å; P631-H635 PolarHBondContact O-CD2 2.94Å; P631-H635 PolarHBondContact O-N 3.39Å; P631-H635 PolarHBondContact O-ND1 3.18Å; P631-M696 HydrophobicContact CB-CE 4.21Å; P631-M696 HydrophobicContact CG-CE 3.99Å |
| 632 | G | 85.2 | Confident | 91.4 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 11% | 0.113 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54 | -47.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R628 G630 I634 H635 H636 | R628-G632 PolarHBondContact O-N 2.99Å; G630-G632 PolarHBondContact O-N 3.09Å; G632-I634 PolarHBondContact O-N 3.4Å; G632-H635 PolarHBondContact O-N 2.95Å; G632-H636 PolarHBondContact O-CD2 3.4Å; G632-H636 PolarHBondContact O-N 3.38Å; G632-H636 VanDerWaalsContact O-N 3.14Å |
| 633 | R | 94.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 18 Ų | 18 | 11% | 0.106 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 177.5 | -74.4 | 163.4 | -173.4 | 150.4 | 2.4 | 112.1 | L629 G630 P631 C637 I708 K712 D755 H761 | L629-R633 VanDerWaalsContact O-CB 3.31Å; L629-R633 WeakPolarHBondContact O-CB 3.26Å; L629-R633 WeakPolarHBondContact O-CD 3.43Å; L629-R633 WeakPolarHBondContact O-CG 3.34Å; L629-R633 PolarHBondContact O-N 3.01Å; G630-R633 PolarHBondContact O-N 3.14Å; P631-R633 VanDerWaalsContact C-N 3.34Å; P631-R633 PolarHBondContact O-N 2.92Å; R633-C637 PolarHBondContact O-N 3.23Å; R633-C637 PolarHBondContact O-SG 3.29Å; R633-I708 HydrophobicContact CB-CG2 3.8Å; R633-K712 HydrophobicContact CB-CD 4.23Å; R633-K712 HydrophobicContact CB-CG 4.48Å; R633-K712 HydrophobicContact CG-CD 4Å; R633-K712 HydrophobicContact CG-CG 4.14Å; R633-D755 HydrophobicContact CG-CB 3.84Å; R633-D755 PolarHBondContact NE-O 2.92Å; R633-D755 PolarHBondContact NH2-O 3.37Å; R633-H761 PolarHBondContact NE-CE1 3.1Å |
| 634 | I | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -71.9 | -38.1 | -177.7 | -161.4 | 175.6 | 0 | 0 | 0 | 111.6 | G630 P631 G632 H636 C637 M638 T689 A692 A693 M696 | G630-I634 PolarHBondContact O-N 2.88Å; P631-I634 WeakPolarHBondContact O-CG2 3.35Å; P631-I634 PolarHBondContact O-N 3.31Å; G632-I634 PolarHBondContact O-N 3.4Å; I634-H636 VanDerWaalsContact C-N 3.29Å; I634-H636 PolarHBondContact O-N 3.38Å; I634-C637 WeakPolarHBondContact O-CA 3.27Å; I634-C637 WeakPolarHBondContact O-CB 3.38Å; I634-C637 PolarHBondContact O-N 3.11Å; I634-M638 HydrophobicContact CB-CE 4.36Å; I634-M638 HydrophobicContact CD1-CE 3.71Å; I634-M638 HydrophobicContact CG1-CE 3.63Å; I634-M638 HydrophobicContact CG1-CG 4.42Å; I634-M638 HydrophobicContact CG1-SD 4.39Å; I634-M638 HydrophobicContact CG2-CE 3.98Å; I634-M638 VanDerWaalsContact O-CG 3.24Å; I634-M638 WeakPolarHBondContact O-CG 3.26Å; I634-M638 PolarHBondContact O-N 3.31Å; I634-T689 HydrophobicContact CG1-CG2 4.27Å; I634-A692 HydrophobicContact CD1-CB 3.68Å; I634-A692 HydrophobicContact CG1-CB 4.48Å; I634-A693 HydrophobicContact CD1-CB 3.91Å; I634-A693 VanDerWaalsContact CD1-N 3.34Å; I634-M696 HydrophobicContact CB-SD 4.34Å; I634-M696 HydrophobicContact CD1-SD 3.84Å; I634-M696 HydrophobicContact CG2-CE 4.26Å; I634-M696 HydrophobicContact CG2-SD 3.73Å |
| 635 | H | 98.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.5 | -38 | 176.1 | -63.8 | 167.5 | 0 | 0 | 0 | 112.2 | Y450 E478 P631 G632 R639 | Y450-H635 AromaticContact CD1-CD2 3.83Å; Y450-H635 AromaticContact CD1-NE2 3.74Å; Y450-H635 AromaticContact CE1-CD2 3.51Å; Y450-H635 AromaticContact CE1-CG 3.96Å; Y450-H635 AromaticContact CE1-NE2 3.62Å; E478-H635 IonicContact OE1-CE1 3.76Å; E478-H635 PolarHBondContact OE1-CE1 2.77Å; E478-H635 VanDerWaalsContact OE1-CE1 3.32Å; P631-H635 PolarHBondContact O-CD2 2.94Å; P631-H635 PolarHBondContact O-N 3.39Å; P631-H635 PolarHBondContact O-ND1 3.18Å; G632-H635 PolarHBondContact O-N 2.95Å; H635-R639 PolarHBondContact O-N 3.21Å; H635-R639 PolarHBondContact O-NE 3.05Å |
| 636 | H | 98.4 | Very high | 93 | Very high | 42 Ų | 42 | 18.2 Ų | 18.2 | 19% | 0.194 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 171.1 | -79.6 | -61.2 | 0 | 0 | 0 | 112.2 | G632 I634 R639 T640 L751 D755 | G632-H636 PolarHBondContact O-CD2 3.4Å; G632-H636 PolarHBondContact O-N 3.38Å; G632-H636 VanDerWaalsContact O-N 3.14Å; I634-H636 VanDerWaalsContact C-N 3.29Å; I634-H636 PolarHBondContact O-N 3.38Å; H636-R639 PolarHBondContact O-N 3.01Å; H636-T640 WeakPolarHBondContact O-CB 3.38Å; H636-T640 PolarHBondContact O-N 3.41Å; H636-T640 PolarHBondContact O-OG1 3.26Å; H636-L751 HydrophobicContact CB-CD2 4Å; H636-D755 IonicContact CD2-OD2 2.82Å; H636-D755 PolarHBondContact CD2-OD2 3.44Å; H636-D755 IonicContact NE2-OD2 2.77Å |
| 637 | C | 98.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.007 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 179.1 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | R633 I634 R639 T640 V641 I711 A715 | R633-C637 PolarHBondContact O-N 3.23Å; R633-C637 PolarHBondContact O-SG 3.29Å; I634-C637 WeakPolarHBondContact O-CA 3.27Å; I634-C637 WeakPolarHBondContact O-CB 3.38Å; I634-C637 PolarHBondContact O-N 3.11Å; C637-R639 PolarHBondContact O-N 2.96Å; C637-T640 WeakPolarHBondContact O-CB 3.39Å; C637-T640 PolarHBondContact O-N 3.47Å; C637-T640 VanDerWaalsContact O-N 3.11Å; C637-V641 PolarHBondContact O-N 3.1Å; C637-I711 HydrophobicContact CB-CG1 3.69Å; C637-I711 HydrophobicContact CB-CG2 4.43Å; C637-A715 HydrophobicContact CB-CB 4.08Å |
| 638 | M | 98.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.7 | -51.4 | 175.7 | -64.1 | 156.6 | 171.5 | 0 | 0 | 111.3 | Y450 A451 A454 E455 I634 T640 V641 T689 A693 | Y450-M638 HydrophobicContact CD1-SD 4.18Å; Y450-M638 HydrophobicContact CE1-SD 4.45Å; A451-M638 VanDerWaalsContact CA-SD 3.59Å; A451-M638 HydrophobicContact CB-CE 3.51Å; A451-M638 HydrophobicContact CB-CG 3.91Å; A451-M638 HydrophobicContact CB-SD 4.06Å; A454-M638 HydrophobicContact CB-CB 3.6Å; A454-M638 HydrophobicContact CB-CG 4.36Å; A454-M638 HydrophobicContact CB-SD 4.05Å; E455-M638 WeakPolarHBondContact CA-O 3.44Å; I634-M638 HydrophobicContact CB-CE 4.36Å; I634-M638 HydrophobicContact CD1-CE 3.71Å; I634-M638 HydrophobicContact CG1-CE 3.63Å; I634-M638 HydrophobicContact CG1-CG 4.42Å; I634-M638 HydrophobicContact CG1-SD 4.39Å; I634-M638 HydrophobicContact CG2-CE 3.98Å; I634-M638 VanDerWaalsContact O-CG 3.24Å; I634-M638 WeakPolarHBondContact O-CG 3.26Å; I634-M638 PolarHBondContact O-N 3.31Å; M638-T640 VanDerWaalsContact C-N 3.25Å; M638-T640 PolarHBondContact O-N 3.28Å; M638-V641 WeakPolarHBondContact O-CB 3.38Å; M638-V641 PolarHBondContact O-N 3.15Å; M638-V641 VanDerWaalsContact O-N 3.17Å; M638-T689 HydrophobicContact CB-CG2 4.3Å; M638-T689 HydrophobicContact CG-CG2 3.47Å; M638-T689 VanDerWaalsContact CG-CG2 3.47Å; M638-A693 HydrophobicContact CE-CB 4.15Å |
| 639 | R | 98.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 17.2 Ų | 17.2 | 11% | 0.109 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 175.9 | -74.2 | -178.6 | -73.8 | -150.7 | -1.5 | 112.7 | A454 G458 C469 H635 H636 C637 V641 G642 L643 | A454-R639 HydrophobicContact CB-CG 4.45Å; A454-R639 WeakPolarHBondContact O-CG 3.28Å; G458-R639 WeakPolarHBondContact CA-O 3.38Å; C469-R639 PolarHBondContact O-NH1 3.05Å; H635-R639 PolarHBondContact O-N 3.21Å; H635-R639 PolarHBondContact O-NE 3.05Å; H636-R639 PolarHBondContact O-N 3.01Å; C637-R639 PolarHBondContact O-N 2.96Å; R639-V641 VanDerWaalsContact C-N 3.26Å; R639-V641 PolarHBondContact O-N 3.28Å; R639-G642 PolarHBondContact O-N 2.82Å; R639-G642 VanDerWaalsContact O-N 3.12Å; R639-L643 PolarHBondContact O-N 3.25Å |
| 640 | T | 98.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 3% | 0.025 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.1 | -30 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 112 | H636 C637 M638 L643 A644 A715 V719 T748 | H636-T640 WeakPolarHBondContact O-CB 3.38Å; H636-T640 PolarHBondContact O-N 3.41Å; H636-T640 PolarHBondContact O-OG1 3.26Å; C637-T640 WeakPolarHBondContact O-CB 3.39Å; C637-T640 PolarHBondContact O-N 3.47Å; C637-T640 VanDerWaalsContact O-N 3.11Å; M638-T640 VanDerWaalsContact C-N 3.25Å; M638-T640 PolarHBondContact O-N 3.28Å; T640-L643 PolarHBondContact O-N 3.06Å; T640-A644 PolarHBondContact O-N 3.02Å; T640-A715 HydrophobicContact CG2-CB 4.45Å; T640-V719 HydrophobicContact CG2-CB 3.62Å; T640-V719 HydrophobicContact CG2-CG1 4Å; T640-V719 HydrophobicContact CG2-CG2 3.51Å; T640-T748 HydrophobicContact CG2-CG2 4.3Å |
| 641 | V | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 171.3 | -176 | 0 | 0 | 0 | 0 | 111 | E455 C637 M638 R639 L643 A644 E645 I682 I685 R686 | E455-V641 VanDerWaalsContact CD-CG1 3.42Å; E455-V641 HydrophobicContact CG-CB 4Å; E455-V641 HydrophobicContact CG-CG1 3.9Å; C637-V641 PolarHBondContact O-N 3.1Å; M638-V641 WeakPolarHBondContact O-CB 3.38Å; M638-V641 PolarHBondContact O-N 3.15Å; M638-V641 VanDerWaalsContact O-N 3.17Å; R639-V641 VanDerWaalsContact C-N 3.26Å; R639-V641 PolarHBondContact O-N 3.28Å; V641-L643 VanDerWaalsContact C-N 3.35Å; V641-L643 PolarHBondContact O-N 3Å; V641-A644 WeakPolarHBondContact O-CB 3.41Å; V641-A644 PolarHBondContact O-N 3.14Å; V641-A644 VanDerWaalsContact O-N 3.15Å; V641-E645 PolarHBondContact O-N 3.31Å; V641-I682 HydrophobicContact CG1-CG2 4.33Å; V641-I685 HydrophobicContact CG2-CD1 4.36Å; V641-I685 HydrophobicContact CG2-CG1 4.2Å; V641-R686 HydrophobicContact CG1-CB 4.02Å; V641-R686 HydrophobicContact CG1-CG 4.34Å |
| 642 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E455 R639 A644 E645 R646 | E455-G642 WeakPolarHBondContact O-CA 3.35Å; R639-G642 PolarHBondContact O-N 2.82Å; R639-G642 VanDerWaalsContact O-N 3.12Å; G642-A644 VanDerWaalsContact C-N 3.29Å; G642-A644 PolarHBondContact O-N 3.23Å; G642-E645 PolarHBondContact O-N 3.09Å; G642-R646 PolarHBondContact O-N 2.91Å |
| 643 | L | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 21.7 Ų | 21.7 | 11% | 0.105 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 174.8 | -175.2 | 157.6 | 0 | 0 | 0 | 111 | G458 R639 T640 V641 R646 A647 V719 V723 M744 V747 T748 | G458-L643 WeakPolarHBondContact O-CA 3.25Å; G458-L643 PolarHBondContact O-N 3.11Å; R639-L643 PolarHBondContact O-N 3.25Å; T640-L643 PolarHBondContact O-N 3.06Å; V641-L643 VanDerWaalsContact C-N 3.35Å; V641-L643 PolarHBondContact O-N 3Å; L643-R646 PolarHBondContact O-N 3.42Å; L643-A647 PolarHBondContact O-N 3.16Å; L643-V719 HydrophobicContact CD2-CG1 3.51Å; L643-V723 HydrophobicContact CD2-CG2 3.67Å; L643-M744 HydrophobicContact CD1-CB 4.26Å; L643-M744 HydrophobicContact CD1-CG 4.25Å; L643-M744 HydrophobicContact CD2-CB 4.03Å; L643-M744 HydrophobicContact CD2-CE 3.71Å; L643-M744 HydrophobicContact CD2-CG 4.36Å; L643-M744 HydrophobicContact CG-CB 4.24Å; L643-M744 HydrophobicContact CG-CE 3.67Å; L643-M744 HydrophobicContact CG-CG 4.09Å; L643-M744 WeakPolarHBondContact O-CE 3.43Å; L643-V747 HydrophobicContact CD1-CG1 4.34Å; L643-T748 HydrophobicContact CD1-CG2 4.1Å; L643-T748 HydrophobicContact CD2-CG2 3.71Å |
| 644 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | T640 V641 G642 R646 A647 L648 I682 V719 I722 | T640-A644 PolarHBondContact O-N 3.02Å; V641-A644 WeakPolarHBondContact O-CB 3.41Å; V641-A644 PolarHBondContact O-N 3.14Å; V641-A644 VanDerWaalsContact O-N 3.15Å; G642-A644 VanDerWaalsContact C-N 3.29Å; G642-A644 PolarHBondContact O-N 3.23Å; A644-R646 VanDerWaalsContact C-N 3.3Å; A644-R646 PolarHBondContact O-N 2.95Å; A644-A647 PolarHBondContact O-N 3.39Å; A644-L648 WeakPolarHBondContact O-CB 3.36Å; A644-L648 PolarHBondContact O-N 3.32Å; A644-I682 HydrophobicContact CB-CD1 3.96Å; A644-I682 HydrophobicContact CB-CG1 3.69Å; A644-V719 HydrophobicContact CB-CB 4.23Å; A644-V719 HydrophobicContact CB-CG1 3.58Å; A644-V719 HydrophobicContact CB-CG2 3.62Å; A644-I722 HydrophobicContact CB-CD1 4.26Å |
| 645 | E | 98.7 | Very high | 98.6 | Very high | 38 Ų | 38 | 22.4 Ų | 22.4 | 18% | 0.178 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 175 | -76 | -72.3 | -172.7 | 0 | 0 | 111.4 | V641 G642 L648 Q649 R679 I682 R686 | V641-E645 PolarHBondContact O-N 3.31Å; G642-E645 PolarHBondContact O-N 3.09Å; E645-L648 PolarHBondContact O-N 3.25Å; E645-Q649 WeakPolarHBondContact O-CB 3.45Å; E645-Q649 PolarHBondContact O-N 2.96Å; E645-R679 IonicContact OE1-CZ 3.69Å; E645-R679 IonicContact OE1-NH1 2.72Å; E645-R679 PolarHBondContact OE1-NH1 3.43Å; E645-R679 IonicContact OE1-NH2 3.64Å; E645-R679 PolarHBondContact OE1-NH2 2.95Å; E645-R679 IonicContact OE2-CZ 2.86Å; E645-R679 IonicContact OE2-NH1 3.9Å; E645-R679 IonicContact OE2-NH2 3.85Å; E645-R679 PolarHBondContact OE2-NH2 3.39Å; E645-I682 HydrophobicContact CG-CG2 4.21Å; E645-I682 WeakPolarHBondContact OE1-CG2 3.3Å; E645-R686 IonicContact OE1-CZ 3.99Å; E645-R686 IonicContact OE1-NH1 2.71Å; E645-R686 IonicContact OE1-NH2 3.7Å; E645-R686 PolarHBondContact OE1-NH2 3.29Å |
| 646 | R | 98.3 | Very high | 98.6 | Very high | 58 Ų | 58 | 25.3 Ų | 25.3 | 22% | 0.219 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | 175.4 | -173.6 | 58.2 | 164.9 | 166.2 | -2 | 111.9 | E399 G642 L643 A644 Q649 I650 M744 | E399-R646 IonicContact OE2-NH2 3.67Å; E399-R646 PolarHBondContact OE2-NH2 2.87Å; G642-R646 PolarHBondContact O-N 2.91Å; L643-R646 PolarHBondContact O-N 3.42Å; A644-R646 VanDerWaalsContact C-N 3.3Å; A644-R646 PolarHBondContact O-N 2.95Å; R646-Q649 VanDerWaalsContact NH1-OE1 3.12Å; R646-Q649 PolarHBondContact O-N 2.94Å; R646-I650 HydrophobicContact CG-CD1 4.23Å; R646-I650 WeakPolarHBondContact O-CG1 3.36Å; R646-I650 PolarHBondContact O-N 3.47Å; R646-M744 HydrophobicContact CB-CE 4.17Å; R646-M744 HydrophobicContact CG-CE 4.33Å |
| 647 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L643 A644 I650 M651 I722 V723 A726 L741 M744 | L643-A647 PolarHBondContact O-N 3.16Å; A644-A647 PolarHBondContact O-N 3.39Å; A647-I650 PolarHBondContact O-N 3.49Å; A647-M651 WeakPolarHBondContact O-CB 3.5Å; A647-M651 PolarHBondContact O-N 2.9Å; A647-I722 HydrophobicContact CB-CG2 4.24Å; A647-V723 HydrophobicContact CB-CG2 3.96Å; A647-A726 HydrophobicContact CB-CB 4.42Å; A647-L741 HydrophobicContact CB-CD2 4.32Å; A647-M744 HydrophobicContact CB-CE 3.69Å |
| 648 | L | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.5 | -178.4 | 57.2 | 0 | 0 | 0 | 111.8 | A644 E645 M651 C652 I675 R679 I682 | A644-L648 WeakPolarHBondContact O-CB 3.36Å; A644-L648 PolarHBondContact O-N 3.32Å; E645-L648 PolarHBondContact O-N 3.25Å; L648-M651 HydrophobicContact CD1-SD 4.41Å; L648-M651 WeakPolarHBondContact O-CB 3.47Å; L648-M651 PolarHBondContact O-N 2.71Å; L648-C652 WeakPolarHBondContact O-CB 3.47Å; L648-C652 PolarHBondContact O-N 3.16Å; L648-C652 PolarHBondContact O-SG 3.33Å; L648-C652 VanDerWaalsContact O-SG 3.37Å; L648-I675 HydrophobicContact CD1-CG2 4.19Å; L648-R679 HydrophobicContact CD2-CB 4.36Å; L648-I682 HydrophobicContact CB-CD1 4.11Å; L648-I682 HydrophobicContact CD2-CD1 3.73Å |
| 649 | Q | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 40.2 Ų | 40.2 | 41% | 0.407 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.9 | -52.6 | 173.5 | -178.5 | -174.7 | 6.7 | 0 | 0 | 110.9 | E645 R646 M651 C652 E653 | E645-Q649 WeakPolarHBondContact O-CB 3.45Å; E645-Q649 PolarHBondContact O-N 2.96Å; R646-Q649 VanDerWaalsContact NH1-OE1 3.12Å; R646-Q649 PolarHBondContact O-N 2.94Å; Q649-M651 VanDerWaalsContact C-N 3.3Å; Q649-M651 PolarHBondContact O-N 2.77Å; Q649-C652 PolarHBondContact O-N 3.08Å; Q649-E653 HydrophobicContact CG-CG 4.45Å; Q649-E653 VanDerWaalsContact CG-OE1 3.25Å; Q649-E653 WeakPolarHBondContact CG-OE1 3.23Å; Q649-E653 PolarHBondContact NE2-OE1 2.75Å; Q649-E653 WeakPolarHBondContact O-CB 3.49Å; Q649-E653 WeakPolarHBondContact O-CG 3.5Å; Q649-E653 PolarHBondContact O-N 2.91Å |
| 650 | I | 98.5 | Very high | 98.4 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 178.3 | -68.5 | 165.7 | 0 | 0 | 0 | 110.8 | R646 A647 C652 R654 Y739 P740 L741 | R646-I650 HydrophobicContact CG-CD1 4.23Å; R646-I650 WeakPolarHBondContact O-CG1 3.36Å; R646-I650 PolarHBondContact O-N 3.47Å; A647-I650 PolarHBondContact O-N 3.49Å; I650-C652 PolarHBondContact O-N 3.01Å; I650-R654 VanDerWaalsContact O-CB 3.26Å; I650-R654 WeakPolarHBondContact O-CB 3.28Å; I650-R654 PolarHBondContact O-N 2.71Å; I650-Y739 HydrophobicContact CG2-CD1 3.66Å; I650-Y739 HydrophobicContact CG2-CE1 3.75Å; I650-P740 HydrophobicContact CD1-CG 3.76Å; I650-L741 HydrophobicContact CD1-CD2 4.17Å; I650-L741 HydrophobicContact CG2-CD1 3.95Å; I650-L741 HydrophobicContact CG2-CD2 4.28Å; I650-L741 HydrophobicContact CG2-CG 4.3Å |
| 651 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -48.2 | 178.1 | -170.3 | -167.8 | -52.2 | 0 | 0 | 111.7 | A647 L648 Q649 A655 I675 I722 W725 A726 V729 | A647-M651 WeakPolarHBondContact O-CB 3.5Å; A647-M651 PolarHBondContact O-N 2.9Å; L648-M651 HydrophobicContact CD1-SD 4.41Å; L648-M651 WeakPolarHBondContact O-CB 3.47Å; L648-M651 PolarHBondContact O-N 2.71Å; Q649-M651 VanDerWaalsContact C-N 3.3Å; Q649-M651 PolarHBondContact O-N 2.77Å; M651-A655 WeakPolarHBondContact O-CB 3.26Å; M651-A655 PolarHBondContact O-N 2.83Å; M651-I675 HydrophobicContact SD-CG1 3.87Å; M651-I722 HydrophobicContact CE-CG2 4.35Å; M651-I722 WeakPolarHBondContact CE-O 3.41Å; M651-W725 HydrophobicContact CE-CB 3.91Å; M651-A726 HydrophobicContact CB-CB 4.03Å; M651-A726 HydrophobicContact CE-CB 3.8Å; M651-A726 HydrophobicContact CG-CB 4.43Å; M651-V729 HydrophobicContact CG-CB 3.95Å; M651-V729 HydrophobicContact CG-CG1 4.05Å; M651-V729 HydrophobicContact CG-CG2 3.82Å; M651-V729 HydrophobicContact SD-CG2 4.36Å |
| 652 | C | 98.6 | Very high | 98.3 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | -179.7 | -71.7 | 0 | 0 | 0 | 0 | 112.5 | L648 Q649 I650 R654 A655 T656 | L648-C652 WeakPolarHBondContact O-CB 3.47Å; L648-C652 PolarHBondContact O-N 3.16Å; L648-C652 PolarHBondContact O-SG 3.33Å; L648-C652 VanDerWaalsContact O-SG 3.37Å; Q649-C652 PolarHBondContact O-N 3.08Å; I650-C652 PolarHBondContact O-N 3.01Å; C652-R654 VanDerWaalsContact C-N 3.35Å; C652-R654 PolarHBondContact O-N 3.4Å; C652-A655 PolarHBondContact O-N 2.96Å; C652-T656 VanDerWaalsContact O-CG2 3.32Å; C652-T656 WeakPolarHBondContact O-CG2 3.49Å; C652-T656 PolarHBondContact O-N 2.82Å; C652-T656 VanDerWaalsContact O-N 3.09Å; C652-T656 PolarHBondContact O-OG1 3.33Å |
| 653 | E | 98.3 | Very high | 98.3 | Very high | 83 Ų | 83 | 64.3 Ų | 64.3 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.1 | -49 | 175.8 | -73.8 | 173.4 | -173.1 | 0 | 0 | 110.3 | Q649 A655 T656 Q657 | Q649-E653 HydrophobicContact CG-CG 4.45Å; Q649-E653 VanDerWaalsContact CG-OE1 3.25Å; Q649-E653 WeakPolarHBondContact CG-OE1 3.23Å; Q649-E653 PolarHBondContact NE2-OE1 2.75Å; Q649-E653 WeakPolarHBondContact O-CB 3.49Å; Q649-E653 WeakPolarHBondContact O-CG 3.5Å; Q649-E653 PolarHBondContact O-N 2.91Å; E653-A655 PolarHBondContact O-N 3.09Å; E653-T656 PolarHBondContact O-N 2.86Å; E653-T656 PolarHBondContact O-OG1 3.38Å; E653-Q657 WeakPolarHBondContact O-CG 3.26Å; E653-Q657 PolarHBondContact O-N 2.85Å |
| 654 | R | 98.3 | Very high | 98.2 | Very high | 42 Ų | 42 | 67.8 Ų | 67.8 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.9 | -171.7 | 65.6 | 170.1 | -171.6 | -5.4 | 112.5 | I650 C652 T656 Q657 R658 V729 Y739 | I650-R654 VanDerWaalsContact O-CB 3.26Å; I650-R654 WeakPolarHBondContact O-CB 3.28Å; I650-R654 PolarHBondContact O-N 2.71Å; C652-R654 VanDerWaalsContact C-N 3.35Å; C652-R654 PolarHBondContact O-N 3.4Å; R654-T656 PolarHBondContact O-N 2.99Å; R654-Q657 PolarHBondContact O-N 2.77Å; R654-R658 HydrophobicContact CG-CG 4.39Å; R654-R658 WeakPolarHBondContact O-CG 3.44Å; R654-R658 PolarHBondContact O-N 2.82Å; R654-V729 HydrophobicContact CB-CG1 4.4Å; R654-V729 HydrophobicContact CG-CG1 4.42Å; R654-Y739 PolarHBondContact NH1-OH 2.82Å |
| 655 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.4 | -26.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M651 C652 E653 L665 Y666 V671 V729 | M651-A655 WeakPolarHBondContact O-CB 3.26Å; M651-A655 PolarHBondContact O-N 2.83Å; C652-A655 PolarHBondContact O-N 2.96Å; E653-A655 PolarHBondContact O-N 3.09Å; A655-L665 HydrophobicContact CB-CB 4.17Å; A655-L665 PolarHBondContact O-N 2.81Å; A655-L665 VanDerWaalsContact O-N 3.11Å; A655-Y666 PolarHBondContact O-N 3.16Å; A655-V671 HydrophobicContact CB-CG1 4.2Å; A655-V729 HydrophobicContact CB-CG1 4.05Å |
| 656 | T | 97.9 | Very high | 98.1 | Very high | 64 Ų | 64 | 72.4 Ų | 72.4 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -87.1 | -22.7 | 178 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | C652 E653 R654 K664 Y666 | C652-T656 VanDerWaalsContact O-CG2 3.32Å; C652-T656 WeakPolarHBondContact O-CG2 3.49Å; C652-T656 PolarHBondContact O-N 2.82Å; C652-T656 VanDerWaalsContact O-N 3.09Å; C652-T656 PolarHBondContact O-OG1 3.33Å; E653-T656 PolarHBondContact O-N 2.86Å; E653-T656 PolarHBondContact O-OG1 3.38Å; R654-T656 PolarHBondContact O-N 2.99Å; T656-K664 WeakPolarHBondContact O-CD 3.31Å; T656-K664 WeakPolarHBondContact O-CE 3.39Å; T656-K664 PolarHBondContact O-NZ 2.8Å; T656-Y666 HydrophobicContact CG2-CD1 3.59Å; T656-Y666 HydrophobicContact CG2-CE1 3.74Å |
| 657 | Q | 98.1 | Very high | 98.1 | Very high | 122 Ų | 122 | 71.9 Ų | 71.9 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -84.2 | -26.5 | -179.9 | -72.4 | 167.7 | 2.7 | 0 | 0 | 114.1 | E653 R654 | E653-Q657 WeakPolarHBondContact O-CG 3.26Å; E653-Q657 PolarHBondContact O-N 2.85Å; R654-Q657 PolarHBondContact O-N 2.77Å |
| 658 | R | 98 | Very high | 98 | Very high | 133 Ų | 133 | 74.4 Ų | 74.4 | 50% | 0.502 | 36% | 0.358 | S | S | . | . | trans | -105.8 | 142.5 | -170 | -58.2 | -62.6 | -68.5 | -173.3 | -2.9 | 111.9 | R654 K664 L665 | R654-R658 HydrophobicContact CG-CG 4.39Å; R654-R658 WeakPolarHBondContact O-CG 3.44Å; R654-R658 PolarHBondContact O-N 2.82Å; R658-K664 VanDerWaalsContact O-CA 3.31Å; R658-K664 WeakPolarHBondContact O-CA 3.39Å; R658-L665 HydrophobicContact CB-CD1 3.69Å; R658-L665 HydrophobicContact CB-CG 3.88Å; R658-L665 HydrophobicContact CG-CD1 4.37Å; R658-L665 PolarHBondContact O-N 2.96Å; R658-L665 VanDerWaalsContact O-N 3.14Å | ||
| 659 | V | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 80.6 Ų | 80.6 | 61% | 0.612 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.8 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | K663 K664 | V659-K663 WeakPolarHBondContact CA-O 3.22Å; V659-K664 HydrophobicContact CG2-CG 4.29Å |
| 660 | A | 97.4 | Very high | 98 | Very high | 33 Ų | 33 | 81.1 Ų | 81.1 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | K662 K663 L665 H668 | A660-K662 VanDerWaalsContact C-N 3.25Å; A660-K662 PolarHBondContact O-N 2.78Å; A660-K663 PolarHBondContact N-O 2.95Å; A660-K663 PolarHBondContact O-N 2.87Å; A660-K663 VanDerWaalsContact O-N 3.15Å; A660-L665 HydrophobicContact CB-CD2 3.79Å; A660-H668 PolarHBondContact O-NE2 3.16Å |
| 661 | F | 97.3 | Very high | 98 | Very high | 185 Ų | 185 | 81.6 Ų | 81.6 | 81% | 0.811 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 44.9 | -176.5 | -50.6 | -77.1 | 0 | 0 | 0 | 112.7 | K663 | F661-K663 PolarHBondContact O-N 2.9Å; F661-K663 VanDerWaalsContact O-N 3.1Å |
| 662 | K | 97.4 | Very high | 97.9 | Very high | 208 Ų | 208 | 83.5 Ų | 83.5 | 90% | 0.904 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 12.2 | 179.5 | -54.6 | -179.8 | 178.5 | 179.5 | 0 | 115.9 | A660 | A660-K662 VanDerWaalsContact C-N 3.25Å; A660-K662 PolarHBondContact O-N 2.78Å |
| 663 | K | 97.6 | Very high | 97.9 | Very high | 114 Ų | 114 | 86.5 Ų | 86.5 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 148.8 | 176.6 | -68.9 | -176.9 | 179.7 | -178.5 | 0 | 110.7 | V659 A660 F661 A667 | V659-K663 WeakPolarHBondContact CA-O 3.22Å; A660-K663 PolarHBondContact N-O 2.95Å; A660-K663 PolarHBondContact O-N 2.87Å; A660-K663 VanDerWaalsContact O-N 3.15Å; F661-K663 PolarHBondContact O-N 2.9Å; F661-K663 VanDerWaalsContact O-N 3.1Å; K663-A667 HydrophobicContact CB-CB 4.18Å; K663-A667 HydrophobicContact CD-CB 4.38Å |
| 664 | K | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 85.6 Ų | 85.6 | 41% | 0.409 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 149.7 | 163.4 | -69.5 | -173.3 | 175.7 | -171.1 | 0 | 109.3 | T656 R658 V659 Y666 A667 | T656-K664 WeakPolarHBondContact O-CD 3.31Å; T656-K664 WeakPolarHBondContact O-CE 3.39Å; T656-K664 PolarHBondContact O-NZ 2.8Å; R658-K664 VanDerWaalsContact O-CA 3.31Å; R658-K664 WeakPolarHBondContact O-CA 3.39Å; V659-K664 HydrophobicContact CG2-CG 4.29Å; K664-Y666 VanDerWaalsContact C-N 3.27Å; K664-Y666 HydrophobicContact CB-CD1 3.86Å; K664-Y666 HydrophobicContact CB-CE1 3.59Å; K664-Y666 HydrophobicContact CD-CD1 4.33Å; K664-Y666 HydrophobicContact CD-CE1 3.38Å; K664-Y666 HydrophobicContact CG-CE1 4.14Å; K664-Y666 PolarHBondContact O-N 2.78Å; K664-A667 WeakPolarHBondContact O-CB 3.2Å; K664-A667 PolarHBondContact O-N 3.15Å |
| 665 | L | 98.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 85.4 Ų | 85.4 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -59.5 | -38 | -172.8 | -61.5 | -178.2 | 0 | 0 | 0 | 112.9 | A655 R658 A660 A667 H668 V671 | A655-L665 HydrophobicContact CB-CB 4.17Å; A655-L665 PolarHBondContact O-N 2.81Å; A655-L665 VanDerWaalsContact O-N 3.11Å; R658-L665 HydrophobicContact CB-CD1 3.69Å; R658-L665 HydrophobicContact CB-CG 3.88Å; R658-L665 HydrophobicContact CG-CD1 4.37Å; R658-L665 PolarHBondContact O-N 2.96Å; R658-L665 VanDerWaalsContact O-N 3.14Å; A660-L665 HydrophobicContact CB-CD2 3.79Å; L665-A667 PolarHBondContact O-N 3.42Å; L665-A667 VanDerWaalsContact O-N 3.16Å; L665-H668 WeakPolarHBondContact O-CB 3.41Å; L665-H668 PolarHBondContact O-N 3.19Å; L665-V671 WeakPolarHBondContact O-CB 3.4Å |
| 666 | Y | 97 | Very high | 97.9 | Very high | 103 Ų | 103 | 87.7 Ų | 87.7 | 40% | 0.404 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -63.8 | -18.3 | 177.6 | 71.9 | -103.2 | 0 | 0 | 0 | 113.9 | A655 T656 K664 H668 | A655-Y666 PolarHBondContact O-N 3.16Å; T656-Y666 HydrophobicContact CG2-CD1 3.59Å; T656-Y666 HydrophobicContact CG2-CE1 3.74Å; K664-Y666 VanDerWaalsContact C-N 3.27Å; K664-Y666 HydrophobicContact CB-CD1 3.86Å; K664-Y666 HydrophobicContact CB-CE1 3.59Å; K664-Y666 HydrophobicContact CD-CD1 4.33Å; K664-Y666 HydrophobicContact CD-CE1 3.38Å; K664-Y666 HydrophobicContact CG-CE1 4.14Å; K664-Y666 PolarHBondContact O-N 2.78Å; Y666-H668 VanDerWaalsContact C-N 3.28Å |
| 667 | A | 97.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 89.5 Ų | 89.5 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -85.9 | -0.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K663 K664 L665 | K663-A667 HydrophobicContact CB-CB 4.18Å; K663-A667 HydrophobicContact CD-CB 4.38Å; K664-A667 WeakPolarHBondContact O-CB 3.2Å; K664-A667 PolarHBondContact O-N 3.15Å; L665-A667 PolarHBondContact O-N 3.42Å; L665-A667 VanDerWaalsContact O-N 3.16Å |
| 668 | H | 97.8 | Very high | 97.9 | Very high | 52 Ų | 52 | 83.7 Ų | 83.7 | 24% | 0.241 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -86.6 | 118.2 | 161.2 | -65.6 | -71.2 | 0 | 0 | 0 | 108.2 | A660 L665 Y666 V670 V671 A672 | A660-H668 PolarHBondContact O-NE2 3.16Å; L665-H668 WeakPolarHBondContact O-CB 3.41Å; L665-H668 PolarHBondContact O-N 3.19Å; Y666-H668 VanDerWaalsContact C-N 3.28Å; H668-V670 PolarHBondContact O-N 2.9Å; H668-V670 VanDerWaalsContact O-N 3.11Å; H668-V671 HydrophobicContact CB-CG2 4.43Å; H668-V671 WeakPolarHBondContact O-CB 3.26Å; H668-V671 PolarHBondContact O-N 2.85Å; H668-A672 PolarHBondContact O-N 3.08Å |
| 669 | E | 98.1 | Very high | 98 | Very high | 140 Ų | 140 | 81.8 Ų | 81.8 | 65% | 0.654 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -55.3 | -35.9 | -168.3 | -173.7 | 175.7 | -126.1 | 0 | 0 | 113.7 | V671 A672 H673 | E669-V671 VanDerWaalsContact C-N 3.29Å; E669-V671 PolarHBondContact O-N 2.87Å; E669-A672 WeakPolarHBondContact O-CB 3.44Å; E669-A672 PolarHBondContact O-N 2.88Å; E669-A672 VanDerWaalsContact O-N 3.11Å; E669-H673 PolarHBondContact O-N 3.12Å |
| 670 | V | 98.6 | Very high | 97.9 | Very high | 97 Ų | 97 | 81.2 Ų | 81.2 | 59% | 0.588 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59 | -38.3 | 175.3 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | H668 R674 | H668-V670 PolarHBondContact O-N 2.9Å; H668-V670 VanDerWaalsContact O-N 3.11Å; V670-R674 WeakPolarHBondContact O-CG 3.39Å; V670-R674 PolarHBondContact O-N 2.92Å |
| 671 | V | 98.5 | Very high | 98 | Very high | 21 Ų | 21 | 80.7 Ų | 80.7 | 13% | 0.127 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.3 | -41.2 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | A655 L665 H668 E669 H673 R674 I675 V729 | A655-V671 HydrophobicContact CB-CG1 4.2Å; L665-V671 WeakPolarHBondContact O-CB 3.4Å; H668-V671 HydrophobicContact CB-CG2 4.43Å; H668-V671 WeakPolarHBondContact O-CB 3.26Å; H668-V671 PolarHBondContact O-N 2.85Å; E669-V671 VanDerWaalsContact C-N 3.29Å; E669-V671 PolarHBondContact O-N 2.87Å; V671-H673 PolarHBondContact O-N 2.95Å; V671-R674 PolarHBondContact O-N 2.99Å; V671-I675 HydrophobicContact CG1-CD1 4.3Å; V671-I675 WeakPolarHBondContact O-CG1 3.3Å; V671-I675 PolarHBondContact O-N 2.76Å; V671-I675 VanDerWaalsContact O-N 3.12Å; V671-V729 HydrophobicContact CG1-CG2 4.05Å |
| 672 | A | 96.9 | Very high | 98 | Very high | 39 Ų | 39 | 71.9 Ų | 71.9 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H668 E669 R674 I675 A676 | H668-A672 PolarHBondContact O-N 3.08Å; E669-A672 WeakPolarHBondContact O-CB 3.44Å; E669-A672 PolarHBondContact O-N 2.88Å; E669-A672 VanDerWaalsContact O-N 3.11Å; A672-R674 VanDerWaalsContact C-N 3.34Å; A672-R674 PolarHBondContact O-N 3.47Å; A672-I675 WeakPolarHBondContact O-CB 3.4Å; A672-I675 PolarHBondContact O-N 3.11Å; A672-A676 PolarHBondContact O-N 3.2Å |
| 673 | H | 98.4 | Very high | 98 | Very high | 106 Ų | 106 | 65.4 Ų | 65.4 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 176.4 | -69.5 | 175.8 | 0 | 0 | 0 | 112.3 | E669 V671 I675 A676 E677 | E669-H673 PolarHBondContact O-N 3.12Å; V671-H673 PolarHBondContact O-N 2.95Å; H673-I675 VanDerWaalsContact C-N 3.34Å; H673-I675 PolarHBondContact O-N 2.85Å; H673-A676 PolarHBondContact O-N 3.37Å; H673-E677 WeakPolarHBondContact O-CB 3.37Å; H673-E677 VanDerWaalsContact O-CG 3.28Å; H673-E677 WeakPolarHBondContact O-CG 3.49Å; H673-E677 PolarHBondContact O-N 3.08Å |
| 674 | R | 98.5 | Very high | 98 | Very high | 64 Ų | 64 | 67 Ų | 67 | 24% | 0.242 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.4 | -72.3 | 172.4 | 179.9 | -174.7 | -1.3 | 112.6 | V670 V671 A672 S678 W725 Q728 | V670-R674 WeakPolarHBondContact O-CG 3.39Å; V670-R674 PolarHBondContact O-N 2.92Å; V671-R674 PolarHBondContact O-N 2.99Å; A672-R674 VanDerWaalsContact C-N 3.34Å; A672-R674 PolarHBondContact O-N 3.47Å; R674-S678 VanDerWaalsContact O-CB 3.31Å; R674-S678 WeakPolarHBondContact O-CB 3.39Å; R674-S678 PolarHBondContact O-N 3.22Å; R674-S678 PolarHBondContact O-OG 3.04Å; R674-W725 HydrophobicContact CB-CB 4.43Å; R674-W725 HydrophobicContact CB-CD2 4.17Å; R674-W725 HydrophobicContact CB-CE3 4.35Å; R674-W725 HydrophobicContact CB-CG 4.24Å; R674-W725 HydrophobicContact CG-CB 4.46Å; R674-W725 HydrophobicContact CG-CD2 3.87Å; R674-W725 HydrophobicContact CG-CE3 4.46Å; R674-W725 HydrophobicContact CG-CG 3.88Å; R674-W725 HydrophobicContact CG-CZ2 4.5Å; R674-Q728 VanDerWaalsContact NH1-CG 3.29Å |
| 675 | I | 98.3 | Very high | 98 | Very high | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.195 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 174 | -67.7 | 167.3 | 0 | 0 | 0 | 109.9 | L648 M651 V671 A672 H673 S678 R679 | L648-I675 HydrophobicContact CD1-CG2 4.19Å; M651-I675 HydrophobicContact SD-CG1 3.87Å; V671-I675 HydrophobicContact CG1-CD1 4.3Å; V671-I675 WeakPolarHBondContact O-CG1 3.3Å; V671-I675 PolarHBondContact O-N 2.76Å; V671-I675 VanDerWaalsContact O-N 3.12Å; A672-I675 WeakPolarHBondContact O-CB 3.4Å; A672-I675 PolarHBondContact O-N 3.11Å; H673-I675 VanDerWaalsContact C-N 3.34Å; H673-I675 PolarHBondContact O-N 2.85Å; I675-S678 PolarHBondContact O-N 2.77Å; I675-R679 PolarHBondContact O-N 3.33Å |
| 676 | A | 97.7 | Very high | 98.1 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A672 H673 S678 R679 I680 | A672-A676 PolarHBondContact O-N 3.2Å; H673-A676 PolarHBondContact O-N 3.37Å; A676-S678 VanDerWaalsContact C-N 3.28Å; A676-S678 PolarHBondContact O-N 2.66Å; A676-R679 PolarHBondContact O-N 2.89Å; A676-I680 WeakPolarHBondContact O-CG1 3.42Å; A676-I680 PolarHBondContact O-N 3.48Å |
| 677 | E | 98.5 | Very high | 98.1 | Very high | 101 Ų | 101 | 61.3 Ų | 61.3 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 176.6 | -74.8 | -69.5 | 175 | 0 | 0 | 112.2 | H673 I680 A681 W725 | H673-E677 WeakPolarHBondContact O-CB 3.37Å; H673-E677 VanDerWaalsContact O-CG 3.28Å; H673-E677 WeakPolarHBondContact O-CG 3.49Å; H673-E677 PolarHBondContact O-N 3.08Å; E677-I680 PolarHBondContact O-N 3.01Å; E677-A681 VanDerWaalsContact O-CB 3.27Å; E677-A681 WeakPolarHBondContact O-CB 3.17Å; E677-A681 PolarHBondContact O-N 3.07Å; E677-W725 HydrophobicContact CB-CH2 3.75Å; E677-W725 HydrophobicContact CB-CZ3 3.68Å; E677-W725 HydrophobicContact CG-CH2 4.3Å |
| 678 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -46 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | R674 I675 A676 A681 I682 | R674-S678 VanDerWaalsContact O-CB 3.31Å; R674-S678 WeakPolarHBondContact O-CB 3.39Å; R674-S678 PolarHBondContact O-N 3.22Å; R674-S678 PolarHBondContact O-OG 3.04Å; I675-S678 PolarHBondContact O-N 2.77Å; A676-S678 VanDerWaalsContact C-N 3.28Å; A676-S678 PolarHBondContact O-N 2.66Å; S678-A681 PolarHBondContact O-N 3.3Å; S678-I682 WeakPolarHBondContact O-CB 3.49Å; S678-I682 WeakPolarHBondContact O-CG1 3.36Å; S678-I682 PolarHBondContact O-N 3.43Å |
| 679 | R | 98.7 | Very high | 98.2 | Very high | 93 Ų | 93 | 59 Ų | 59 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 175.6 | 175.3 | 52.5 | 58.6 | -163.5 | -6.4 | 111.4 | E645 L648 I675 A676 A681 I682 E683 | E645-R679 IonicContact OE1-CZ 3.69Å; E645-R679 IonicContact OE1-NH1 2.72Å; E645-R679 PolarHBondContact OE1-NH1 3.43Å; E645-R679 IonicContact OE1-NH2 3.64Å; E645-R679 PolarHBondContact OE1-NH2 2.95Å; E645-R679 IonicContact OE2-CZ 2.86Å; E645-R679 IonicContact OE2-NH1 3.9Å; E645-R679 IonicContact OE2-NH2 3.85Å; E645-R679 PolarHBondContact OE2-NH2 3.39Å; L648-R679 HydrophobicContact CD2-CB 4.36Å; I675-R679 PolarHBondContact O-N 3.33Å; A676-R679 PolarHBondContact O-N 2.89Å; R679-A681 VanDerWaalsContact C-N 3.33Å; R679-A681 PolarHBondContact O-N 3.49Å; R679-I682 PolarHBondContact O-N 2.92Å; R679-E683 WeakPolarHBondContact CD-OE1 3.38Å; R679-E683 IonicContact CZ-OE1 3.77Å; R679-E683 IonicContact NH1-OE1 2.77Å; R679-E683 PolarHBondContact NH1-OE1 3.36Å; R679-E683 PolarHBondContact O-N 2.92Å; R679-E683 VanDerWaalsContact O-N 3.11Å |
| 680 | I | 97.3 | Very high | 98.1 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 46% | 0.456 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 177.7 | -67.9 | 165.1 | 0 | 0 | 0 | 110.7 | A676 E677 E683 K684 | A676-I680 WeakPolarHBondContact O-CG1 3.42Å; A676-I680 PolarHBondContact O-N 3.48Å; E677-I680 PolarHBondContact O-N 3.01Å; I680-E683 PolarHBondContact O-N 3.44Å; I680-K684 HydrophobicContact CG2-CD 3.9Å; I680-K684 VanDerWaalsContact O-CG 3.32Å; I680-K684 WeakPolarHBondContact O-CG 3.29Å; I680-K684 PolarHBondContact O-N 2.92Å; I680-K684 VanDerWaalsContact O-N 3.16Å |
| 681 | A | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | E677 S678 R679 K684 I685 I722 | E677-A681 VanDerWaalsContact O-CB 3.27Å; E677-A681 WeakPolarHBondContact O-CB 3.17Å; E677-A681 PolarHBondContact O-N 3.07Å; S678-A681 PolarHBondContact O-N 3.3Å; R679-A681 VanDerWaalsContact C-N 3.33Å; R679-A681 PolarHBondContact O-N 3.49Å; A681-K684 PolarHBondContact O-N 2.93Å; A681-I685 WeakPolarHBondContact O-CG1 3.42Å; A681-I685 PolarHBondContact O-N 3.26Å; A681-I722 HydrophobicContact CB-CD1 4.01Å |
| 682 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 177.7 | -72 | 167 | 0 | 0 | 0 | 111.1 | V641 A644 E645 L648 S678 R679 K684 I685 R686 I722 | V641-I682 HydrophobicContact CG1-CG2 4.33Å; A644-I682 HydrophobicContact CB-CD1 3.96Å; A644-I682 HydrophobicContact CB-CG1 3.69Å; E645-I682 HydrophobicContact CG-CG2 4.21Å; E645-I682 WeakPolarHBondContact OE1-CG2 3.3Å; L648-I682 HydrophobicContact CB-CD1 4.11Å; L648-I682 HydrophobicContact CD2-CD1 3.73Å; S678-I682 WeakPolarHBondContact O-CB 3.49Å; S678-I682 WeakPolarHBondContact O-CG1 3.36Å; S678-I682 PolarHBondContact O-N 3.43Å; R679-I682 PolarHBondContact O-N 2.92Å; I682-K684 VanDerWaalsContact C-N 3.33Å; I682-K684 PolarHBondContact O-N 3.22Å; I682-I685 VanDerWaalsContact O-CG1 3.32Å; I682-I685 WeakPolarHBondContact O-CG1 3.18Å; I682-I685 PolarHBondContact O-N 2.87Å; I682-R686 VanDerWaalsContact O-CB 3.31Å; I682-R686 WeakPolarHBondContact O-CB 3.41Å; I682-R686 PolarHBondContact O-N 3.05Å; I682-I722 HydrophobicContact CD1-CD1 4.31Å; I682-I722 HydrophobicContact CG1-CD1 3.79Å |
| 683 | E | 97.8 | Very high | 97.9 | Very high | 72 Ų | 72 | 50 Ų | 50 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 179.7 | -62.3 | -45.4 | 135.5 | 0 | 0 | 111.9 | R679 I680 I685 R686 L687 | R679-E683 WeakPolarHBondContact CD-OE1 3.38Å; R679-E683 IonicContact CZ-OE1 3.77Å; R679-E683 IonicContact NH1-OE1 2.77Å; R679-E683 PolarHBondContact NH1-OE1 3.36Å; R679-E683 PolarHBondContact O-N 2.92Å; R679-E683 VanDerWaalsContact O-N 3.11Å; I680-E683 PolarHBondContact O-N 3.44Å; E683-I685 PolarHBondContact O-N 3.27Å; E683-R686 PolarHBondContact O-N 3.39Å; E683-R686 IonicContact OE1-NH1 3.22Å; E683-R686 PolarHBondContact OE1-NH1 3.34Å; E683-R686 IonicContact OE2-NH1 2.69Å; E683-R686 PolarHBondContact OE2-NH1 3.19Å; E683-L687 WeakPolarHBondContact O-CB 3.44Å; E683-L687 WeakPolarHBondContact O-CG 3.23Å; E683-L687 PolarHBondContact O-N 3.18Å |
| 684 | K | 97.8 | Very high | 97.6 | Very high | 146 Ų | 146 | 48.6 Ų | 48.6 | 64% | 0.635 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61 | -46.6 | 179 | -71.7 | 173.2 | 74.1 | 171.4 | 0 | 112.1 | I680 A681 I682 L688 | I680-K684 HydrophobicContact CG2-CD 3.9Å; I680-K684 VanDerWaalsContact O-CG 3.32Å; I680-K684 WeakPolarHBondContact O-CG 3.29Å; I680-K684 PolarHBondContact O-N 2.92Å; I680-K684 VanDerWaalsContact O-N 3.16Å; A681-K684 PolarHBondContact O-N 2.93Å; I682-K684 VanDerWaalsContact C-N 3.33Å; I682-K684 PolarHBondContact O-N 3.22Å; K684-L688 WeakPolarHBondContact O-CB 3.48Å; K684-L688 PolarHBondContact O-N 3.13Å; K684-L688 VanDerWaalsContact O-N 3.09Å |
| 685 | I | 98.6 | Very high | 97 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.5 | -31.2 | -178.9 | 66.6 | 176.4 | 0 | 0 | 0 | 112.2 | V641 A681 I682 E683 L688 T689 I711 A715 A718 V719 | V641-I685 HydrophobicContact CG2-CD1 4.36Å; V641-I685 HydrophobicContact CG2-CG1 4.2Å; A681-I685 WeakPolarHBondContact O-CG1 3.42Å; A681-I685 PolarHBondContact O-N 3.26Å; I682-I685 VanDerWaalsContact O-CG1 3.32Å; I682-I685 WeakPolarHBondContact O-CG1 3.18Å; I682-I685 PolarHBondContact O-N 2.87Å; E683-I685 PolarHBondContact O-N 3.27Å; I685-L688 PolarHBondContact O-N 3.12Å; I685-T689 WeakPolarHBondContact O-CB 3.4Å; I685-T689 PolarHBondContact O-N 3.32Å; I685-T689 PolarHBondContact O-OG1 2.89Å; I685-I711 HydrophobicContact CB-CD1 4.32Å; I685-I711 WeakPolarHBondContact O-CD1 3.5Å; I685-A715 HydrophobicContact CB-CB 4.49Å; I685-A715 HydrophobicContact CD1-CB 4.46Å; I685-A718 HydrophobicContact CG2-CB 4.05Å; I685-V719 HydrophobicContact CD1-CG2 3.34Å |
| 686 | R | 98.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 11% | 0.106 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -52.2 | 173.1 | -177.8 | -178.1 | -66.7 | 112.2 | 0.3 | 110.7 | E455 V641 E645 I682 E683 L688 T689 L690 | E455-R686 IonicContact OE1-CZ 3.44Å; E455-R686 VanDerWaalsContact OE1-CZ 3.3Å; E455-R686 IonicContact OE1-NE 3.91Å; E455-R686 PolarHBondContact OE1-NE 3.07Å; E455-R686 IonicContact OE1-NH2 3.62Å; E455-R686 PolarHBondContact OE1-NH2 3.2Å; E455-R686 IonicContact OE2-NE 2.8Å; E455-R686 PolarHBondContact OE2-NE 3.33Å; V641-R686 HydrophobicContact CG1-CB 4.02Å; V641-R686 HydrophobicContact CG1-CG 4.34Å; E645-R686 IonicContact OE1-CZ 3.99Å; E645-R686 IonicContact OE1-NH1 2.71Å; E645-R686 IonicContact OE1-NH2 3.7Å; E645-R686 PolarHBondContact OE1-NH2 3.29Å; I682-R686 VanDerWaalsContact O-CB 3.31Å; I682-R686 WeakPolarHBondContact O-CB 3.41Å; I682-R686 PolarHBondContact O-N 3.05Å; E683-R686 PolarHBondContact O-N 3.39Å; E683-R686 IonicContact OE1-NH1 3.22Å; E683-R686 PolarHBondContact OE1-NH1 3.34Å; E683-R686 IonicContact OE2-NH1 2.69Å; E683-R686 PolarHBondContact OE2-NH1 3.19Å; R686-L688 VanDerWaalsContact C-N 3.32Å; R686-L688 PolarHBondContact O-N 3.33Å; R686-T689 WeakPolarHBondContact O-CB 3.28Å; R686-T689 PolarHBondContact O-N 3.41Å; R686-T689 VanDerWaalsContact O-N 3.11Å; R686-L690 HydrophobicContact CG-CD1 4.25Å; R686-L690 WeakPolarHBondContact O-CG 3.22Å; R686-L690 PolarHBondContact O-N 2.77Å |
| 687 | L | 97.6 | Very high | 95.7 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 39% | 0.387 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 179 | -69.1 | 171.9 | 0 | 0 | 0 | 112.1 | F374 E683 T689 L690 K691 | F374-L687 HydrophobicContact CD2-CD2 4.33Å; F374-L687 HydrophobicContact CE2-CD2 4.13Å; E683-L687 WeakPolarHBondContact O-CB 3.44Å; E683-L687 WeakPolarHBondContact O-CG 3.23Å; E683-L687 PolarHBondContact O-N 3.18Å; L687-T689 VanDerWaalsContact C-N 3.33Å; L687-L690 PolarHBondContact O-N 3.46Å; L687-K691 WeakPolarHBondContact O-CB 3.36Å; L687-K691 PolarHBondContact O-N 2.91Å |
| 688 | L | 98.1 | Very high | 94.9 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.2 | -33.2 | 175.5 | -175.8 | 63.3 | 0 | 0 | 0 | 112.3 | K684 I685 R686 K691 A692 M710 I711 A714 | K684-L688 WeakPolarHBondContact O-CB 3.48Å; K684-L688 PolarHBondContact O-N 3.13Å; K684-L688 VanDerWaalsContact O-N 3.09Å; I685-L688 PolarHBondContact O-N 3.12Å; R686-L688 VanDerWaalsContact C-N 3.32Å; R686-L688 PolarHBondContact O-N 3.33Å; L688-K691 PolarHBondContact O-N 2.78Å; L688-A692 PolarHBondContact O-N 3.23Å; L688-M710 HydrophobicContact CD2-CB 4.47Å; L688-I711 HydrophobicContact CB-CD1 3.95Å; L688-I711 HydrophobicContact CD2-CB 4.44Å; L688-I711 HydrophobicContact CD2-CD1 3.94Å; L688-I711 HydrophobicContact CG-CB 4.25Å; L688-I711 HydrophobicContact CG-CD1 3.9Å; L688-A714 HydrophobicContact CD2-CB 3.85Å |
| 689 | T | 98.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -46.9 | 172.9 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | I634 M638 I685 R686 L687 K691 A692 A693 I711 | I634-T689 HydrophobicContact CG1-CG2 4.27Å; M638-T689 HydrophobicContact CB-CG2 4.3Å; M638-T689 HydrophobicContact CG-CG2 3.47Å; M638-T689 VanDerWaalsContact CG-CG2 3.47Å; I685-T689 WeakPolarHBondContact O-CB 3.4Å; I685-T689 PolarHBondContact O-N 3.32Å; I685-T689 PolarHBondContact O-OG1 2.89Å; R686-T689 WeakPolarHBondContact O-CB 3.28Å; R686-T689 PolarHBondContact O-N 3.41Å; R686-T689 VanDerWaalsContact O-N 3.11Å; L687-T689 VanDerWaalsContact C-N 3.33Å; T689-K691 VanDerWaalsContact C-N 3.3Å; T689-K691 PolarHBondContact O-N 3.12Å; T689-A692 PolarHBondContact O-N 3.1Å; T689-A693 PolarHBondContact O-N 3.3Å; T689-I711 VanDerWaalsContact OG1-CD1 3.25Å; T689-I711 WeakPolarHBondContact OG1-CD1 3.47Å; T689-I711 WeakPolarHBondContact OG1-CG1 3.45Å |
| 690 | L | 97.6 | Very high | 93 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 176.1 | -67.1 | 172.5 | 0 | 0 | 0 | 111.8 | F374 V448 A451 L452 R686 L687 A693 H694 | F374-L690 HydrophobicContact CB-CB 4.27Å; F374-L690 HydrophobicContact CB-CD1 4.47Å; F374-L690 HydrophobicContact CD1-CB 4.3Å; F374-L690 HydrophobicContact CD2-CB 3.41Å; F374-L690 VanDerWaalsContact CD2-CB 3.41Å; F374-L690 HydrophobicContact CD2-CD1 3.91Å; F374-L690 HydrophobicContact CD2-CG 4.31Å; F374-L690 HydrophobicContact CE2-CB 3.76Å; F374-L690 HydrophobicContact CG-CB 3.72Å; F374-L690 HydrophobicContact CG-CD1 4.49Å; F374-L690 HydrophobicContact CZ-CB 4.36Å; V448-L690 HydrophobicContact CG1-CD2 4.49Å; A451-L690 HydrophobicContact CB-CD2 3.83Å; L452-L690 HydrophobicContact CD2-CD2 4.12Å; L452-L690 HydrophobicContact CG-CD2 4.17Å; R686-L690 HydrophobicContact CG-CD1 4.25Å; R686-L690 WeakPolarHBondContact O-CG 3.22Å; R686-L690 PolarHBondContact O-N 2.77Å; L687-L690 PolarHBondContact O-N 3.46Å; L690-A693 PolarHBondContact O-N 2.92Å; L690-H694 WeakPolarHBondContact O-CB 3.25Å; L690-H694 PolarHBondContact O-N 2.88Å |
| 691 | K | 96 | Very high | 92.3 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 171.7 | 176.6 | 56.1 | -176 | 166.7 | 0 | 111.7 | F374 L687 L688 T689 A693 H694 S695 E707 | F374-K691 HydrophobicContact CE1-CB 4.17Å; F374-K691 HydrophobicContact CE1-CD 4.31Å; F374-K691 HydrophobicContact CZ-CB 3.71Å; F374-K691 HydrophobicContact CZ-CD 4.37Å; L687-K691 WeakPolarHBondContact O-CB 3.36Å; L687-K691 PolarHBondContact O-N 2.91Å; L688-K691 PolarHBondContact O-N 2.78Å; T689-K691 VanDerWaalsContact C-N 3.3Å; T689-K691 PolarHBondContact O-N 3.12Å; K691-A693 VanDerWaalsContact C-N 3.35Å; K691-H694 PolarHBondContact O-N 3.33Å; K691-S695 PolarHBondContact O-N 3.49Å; K691-S695 PolarHBondContact O-OG 3.43Å; K691-E707 HydrophobicContact CG-CG 4.41Å |
| 692 | A | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I634 L688 T689 S695 M696 E707 I711 | I634-A692 HydrophobicContact CD1-CB 3.68Å; I634-A692 HydrophobicContact CG1-CB 4.48Å; L688-A692 PolarHBondContact O-N 3.23Å; T689-A692 PolarHBondContact O-N 3.1Å; A692-S695 PolarHBondContact O-N 3.23Å; A692-M696 WeakPolarHBondContact O-CG 3.44Å; A692-M696 PolarHBondContact O-N 3.34Å; A692-E707 HydrophobicContact CB-CB 3.88Å; A692-I711 HydrophobicContact CB-CG2 4.06Å |
| 693 | A | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | N447 V448 A451 I634 M638 T689 L690 K691 S695 M696 D697 | N447-A693 HydrophobicContact CB-CB 4.02Å; V448-A693 HydrophobicContact CG2-CB 4.05Å; A451-A693 HydrophobicContact CB-CB 4.24Å; I634-A693 HydrophobicContact CD1-CB 3.91Å; I634-A693 VanDerWaalsContact CD1-N 3.34Å; M638-A693 HydrophobicContact CE-CB 4.15Å; T689-A693 PolarHBondContact O-N 3.3Å; L690-A693 PolarHBondContact O-N 2.92Å; K691-A693 VanDerWaalsContact C-N 3.35Å; A693-S695 VanDerWaalsContact C-N 3.33Å; A693-S695 PolarHBondContact O-N 3.21Å; A693-M696 WeakPolarHBondContact O-CB 3.5Å; A693-M696 PolarHBondContact O-N 2.8Å; A693-D697 PolarHBondContact O-N 3.36Å |
| 694 | H | 92.9 | Very high | 90.1 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 176 | -180 | 70.3 | 0 | 0 | 0 | 112.7 | F374 V448 L690 K691 M696 D697 T698 | F374-H694 HydrophobicContact CD1-CB 3.96Å; F374-H694 HydrophobicContact CE1-CB 4.12Å; V448-H694 HydrophobicContact CG2-CB 3.78Å; L690-H694 WeakPolarHBondContact O-CB 3.25Å; L690-H694 PolarHBondContact O-N 2.88Å; K691-H694 PolarHBondContact O-N 3.33Å; H694-M696 VanDerWaalsContact C-N 3.31Å; H694-M696 PolarHBondContact O-N 3.29Å; H694-D697 PolarHBondContact O-N 2.84Å; H694-T698 WeakPolarHBondContact O-CG2 3.42Å; H694-T698 PolarHBondContact O-N 3.16Å; H694-T698 PolarHBondContact O-OG1 2.82Å |
| 695 | S | 85.3 | Confident | 89.8 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -37.7 | 172.4 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | K691 A692 A693 T698 L699 | K691-S695 PolarHBondContact O-N 3.49Å; K691-S695 PolarHBondContact O-OG 3.43Å; A692-S695 PolarHBondContact O-N 3.23Å; A693-S695 VanDerWaalsContact C-N 3.33Å; A693-S695 PolarHBondContact O-N 3.21Å; S695-T698 PolarHBondContact O-N 2.81Å; S695-T698 PolarHBondContact O-OG1 3.19Å; S695-L699 WeakPolarHBondContact O-CA 3.26Å; S695-L699 VanDerWaalsContact O-CB 3.25Å; S695-L699 WeakPolarHBondContact O-CB 3.29Å; S695-L699 PolarHBondContact O-N 2.8Å |
| 696 | M | 86.5 | Confident | 89.6 | Confident | 11 Ų | 11 | 45 Ų | 45 | 5% | 0.054 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 174.6 | -70.6 | 177.7 | 60 | 0 | 0 | 112.1 | N447 P631 I634 A692 A693 H694 T698 G700 A704 I708 | N447-M696 HydrophobicContact CB-CB 4.37Å; P631-M696 HydrophobicContact CB-CE 4.21Å; P631-M696 HydrophobicContact CG-CE 3.99Å; I634-M696 HydrophobicContact CB-SD 4.34Å; I634-M696 HydrophobicContact CD1-SD 3.84Å; I634-M696 HydrophobicContact CG2-CE 4.26Å; I634-M696 HydrophobicContact CG2-SD 3.73Å; A692-M696 WeakPolarHBondContact O-CG 3.44Å; A692-M696 PolarHBondContact O-N 3.34Å; A693-M696 WeakPolarHBondContact O-CB 3.5Å; A693-M696 PolarHBondContact O-N 2.8Å; H694-M696 VanDerWaalsContact C-N 3.31Å; H694-M696 PolarHBondContact O-N 3.29Å; M696-T698 VanDerWaalsContact C-N 3.31Å; M696-T698 PolarHBondContact O-N 3.46Å; M696-G700 WeakPolarHBondContact O-CA 3.45Å; M696-G700 PolarHBondContact O-N 2.9Å; M696-A704 HydrophobicContact CB-CB 4.45Å; M696-A704 HydrophobicContact CG-CB 3.68Å; M696-I708 HydrophobicContact CG-CD1 4Å; M696-I708 HydrophobicContact CG-CG1 4.4Å; M696-I708 HydrophobicContact SD-CD1 3.84Å; M696-I708 HydrophobicContact SD-CG1 4.13Å |
| 697 | D | 83.9 | Confident | 89.6 | Confident | 61 Ų | 61 | 45.3 Ų | 45.3 | 33% | 0.326 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 177.5 | -70 | -32.8 | 0 | 0 | 0 | 112.7 | S446 N447 V448 A693 H694 | S446-D697 WeakPolarHBondContact CB-OD2 3.48Å; N447-D697 VanDerWaalsContact CB-OD1 3.29Å; N447-D697 WeakPolarHBondContact CB-OD1 3.38Å; N447-D697 PolarHBondContact N-OD1 3.45Å; N447-D697 PolarHBondContact N-OD2 3.1Å; N447-D697 PolarHBondContact ND2-OD1 3.48Å; V448-D697 WeakPolarHBondContact CG2-OD2 3.41Å; V448-D697 PolarHBondContact N-OD2 2.83Å; A693-D697 PolarHBondContact O-N 3.36Å; H694-D697 PolarHBondContact O-N 2.84Å |
| 698 | T | 81.2 | Confident | 89.6 | Confident | 73 Ų | 73 | 42 Ų | 42 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -98.3 | -24.9 | -173.6 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | H694 S695 M696 | H694-T698 WeakPolarHBondContact O-CG2 3.42Å; H694-T698 PolarHBondContact O-N 3.16Å; H694-T698 PolarHBondContact O-OG1 2.82Å; S695-T698 PolarHBondContact O-N 2.81Å; S695-T698 PolarHBondContact O-OG1 3.19Å; M696-T698 VanDerWaalsContact C-N 3.31Å; M696-T698 PolarHBondContact O-N 3.46Å |
| 699 | L | 76.4 | Confident | 89.6 | Confident | 107 Ų | 107 | 39.9 Ų | 39.9 | 56% | 0.56 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -124.1 | -5.5 | -173.9 | -51.2 | 175.1 | 0 | 0 | 0 | 113.4 | S695 | S695-L699 WeakPolarHBondContact O-CA 3.26Å; S695-L699 VanDerWaalsContact O-CB 3.25Å; S695-L699 WeakPolarHBondContact O-CB 3.29Å; S695-L699 PolarHBondContact O-N 2.8Å |
| 700 | G | 80.9 | Confident | 89.6 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | 72 | 167.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M696 A702 G703 A704 | M696-G700 WeakPolarHBondContact O-CA 3.45Å; M696-G700 PolarHBondContact O-N 2.9Å; G700-A702 VanDerWaalsContact C-N 3.32Å; G700-A702 PolarHBondContact O-N 3.23Å; G700-G703 PolarHBondContact O-N 2.93Å; G700-A704 WeakPolarHBondContact O-CB 3.47Å; G700-A704 PolarHBondContact O-N 2.85Å |
| 701 | S | 81.3 | Confident | 89.6 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -35.5 | -177 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | A704 K705 | S701-A704 PolarHBondContact O-N 2.85Å; S701-K705 PolarHBondContact O-N 2.93Å |
| 702 | A | 78.9 | Confident | 89.8 | Confident | 87 Ų | 87 | 37.6 Ų | 37.6 | 72% | 0.719 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.8 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G700 A704 K705 | G700-A702 VanDerWaalsContact C-N 3.32Å; G700-A702 PolarHBondContact O-N 3.23Å; A702-A704 VanDerWaalsContact C-N 3.34Å; A702-K705 WeakPolarHBondContact O-CB 2.96Å; A702-K705 PolarHBondContact O-N 3.26Å |
| 703 | G | 80.3 | Confident | 89.9 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.6 | -31.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | G700 K705 | G700-G703 PolarHBondContact O-N 2.93Å; G703-K705 VanDerWaalsContact C-N 3.27Å; G703-K705 PolarHBondContact O-N 2.9Å |
| 704 | A | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 13.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M696 G700 S701 A702 K706 E707 I708 | M696-A704 HydrophobicContact CB-CB 4.45Å; M696-A704 HydrophobicContact CG-CB 3.68Å; G700-A704 WeakPolarHBondContact O-CB 3.47Å; G700-A704 PolarHBondContact O-N 2.85Å; S701-A704 PolarHBondContact O-N 2.85Å; A702-A704 VanDerWaalsContact C-N 3.34Å; A704-K706 VanDerWaalsContact C-N 3.25Å; A704-K706 PolarHBondContact O-N 2.76Å; A704-E707 PolarHBondContact O-N 2.98Å; A704-I708 HydrophobicContact CB-CD1 4.11Å; A704-I708 HydrophobicContact CB-CG1 4.39Å; A704-I708 VanDerWaalsContact O-CG1 3.32Å; A704-I708 WeakPolarHBondContact O-CG1 3.48Å; A704-I708 PolarHBondContact O-N 3.3Å |
| 705 | K | 90.1 | Very high | 90.3 | Very high | 111 Ų | 111 | 35 Ų | 35 | 48% | 0.483 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.3 | -39.4 | -173.6 | -177.1 | -179.2 | -179.8 | -176.4 | 0 | 113.1 | S701 A702 G703 A709 M768 | S701-K705 PolarHBondContact O-N 2.93Å; A702-K705 WeakPolarHBondContact O-CB 2.96Å; A702-K705 PolarHBondContact O-N 3.26Å; G703-K705 VanDerWaalsContact C-N 3.27Å; G703-K705 PolarHBondContact O-N 2.9Å; K705-A709 WeakPolarHBondContact O-CB 3.23Å; K705-A709 PolarHBondContact O-N 3.06Å; K705-A709 VanDerWaalsContact O-N 3.11Å; K705-M768 HydrophobicContact CB-SD 4.49Å; K705-M768 HydrophobicContact CD-SD 4.23Å; K705-M768 HydrophobicContact CG-CE 4.39Å; K705-M768 HydrophobicContact CG-SD 4.21Å |
| 706 | K | 96.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 35 Ų | 35 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.8 | -48.3 | -179 | -168.4 | 179.4 | -175.7 | -179 | 0 | 111.1 | A704 A709 M710 M768 E769 D772 | A704-K706 VanDerWaalsContact C-N 3.25Å; A704-K706 PolarHBondContact O-N 2.76Å; K706-A709 PolarHBondContact O-N 3.1Å; K706-M710 HydrophobicContact CG-CE 4.41Å; K706-M710 WeakPolarHBondContact O-CG 3.2Å; K706-M710 PolarHBondContact O-N 3.1Å; K706-M768 HydrophobicContact CB-CE 4.02Å; K706-M768 HydrophobicContact CB-SD 3.92Å; K706-M768 HydrophobicContact CD-CB 4.25Å; K706-M768 HydrophobicContact CG-CB 4.38Å; K706-M768 HydrophobicContact CG-CE 4.17Å; K706-M768 HydrophobicContact CG-SD 4.38Å; K706-E769 WeakPolarHBondContact CE-OE2 3.43Å; K706-E769 IonicContact NZ-OE2 3.81Å; K706-E769 PolarHBondContact NZ-OE2 2.91Å; K706-D772 IonicContact NZ-OD2 2.98Å; K706-D772 PolarHBondContact NZ-OD2 2.94Å |
| 707 | E | 97.6 | Very high | 91.5 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 179.3 | -68.2 | 71.5 | -160.7 | 0 | 0 | 112.3 | K691 A692 A704 A709 M710 I711 | K691-E707 HydrophobicContact CG-CG 4.41Å; A692-E707 HydrophobicContact CB-CB 3.88Å; A704-E707 PolarHBondContact O-N 2.98Å; E707-A709 VanDerWaalsContact C-N 3.35Å; E707-A709 PolarHBondContact O-N 3.05Å; E707-M710 HydrophobicContact CB-CE 4.22Å; E707-M710 HydrophobicContact CG-CE 3.83Å; E707-M710 PolarHBondContact O-N 3.21Å; E707-I711 PolarHBondContact O-N 2.99Å |
| 708 | I | 97.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.2 | -65 | 165.4 | 0 | 0 | 0 | 110.7 | R633 M696 A704 I711 K712 | R633-I708 HydrophobicContact CB-CG2 3.8Å; M696-I708 HydrophobicContact CG-CD1 4Å; M696-I708 HydrophobicContact CG-CG1 4.4Å; M696-I708 HydrophobicContact SD-CD1 3.84Å; M696-I708 HydrophobicContact SD-CG1 4.13Å; A704-I708 HydrophobicContact CB-CD1 4.11Å; A704-I708 HydrophobicContact CB-CG1 4.39Å; A704-I708 VanDerWaalsContact O-CG1 3.32Å; A704-I708 WeakPolarHBondContact O-CG1 3.48Å; A704-I708 PolarHBondContact O-N 3.3Å; I708-I711 WeakPolarHBondContact O-CG2 3.22Å; I708-K712 VanDerWaalsContact O-CB 3.25Å; I708-K712 WeakPolarHBondContact O-CB 3.39Å; I708-K712 PolarHBondContact O-N 2.71Å |
| 709 | A | 97.8 | Very high | 93 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K705 K706 E707 I711 K712 V713 H761 I765 | K705-A709 WeakPolarHBondContact O-CB 3.23Å; K705-A709 PolarHBondContact O-N 3.06Å; K705-A709 VanDerWaalsContact O-N 3.11Å; K706-A709 PolarHBondContact O-N 3.1Å; E707-A709 VanDerWaalsContact C-N 3.35Å; E707-A709 PolarHBondContact O-N 3.05Å; A709-I711 PolarHBondContact O-N 3.45Å; A709-K712 PolarHBondContact O-N 2.86Å; A709-V713 PolarHBondContact O-N 2.79Å; A709-H761 HydrophobicContact CB-CB 4.4Å; A709-I765 HydrophobicContact CB-CD1 4.1Å; A709-I765 HydrophobicContact CB-CG1 3.76Å |
| 710 | M | 98.8 | Very high | 94.1 | Very high | 58 Ų | 58 | 30.8 Ų | 30.8 | 29% | 0.286 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 178 | -73.9 | -170.2 | -67.8 | 0 | 0 | 111.7 | L688 K706 E707 V713 A714 I765 | L688-M710 HydrophobicContact CD2-CB 4.47Å; K706-M710 HydrophobicContact CG-CE 4.41Å; K706-M710 WeakPolarHBondContact O-CG 3.2Å; K706-M710 PolarHBondContact O-N 3.1Å; E707-M710 HydrophobicContact CB-CE 4.22Å; E707-M710 HydrophobicContact CG-CE 3.83Å; E707-M710 PolarHBondContact O-N 3.21Å; M710-V713 PolarHBondContact O-N 3.07Å; M710-A714 WeakPolarHBondContact O-CB 3.39Å; M710-A714 PolarHBondContact O-N 2.79Å; M710-I765 HydrophobicContact CB-CD1 4.47Å; M710-I765 HydrophobicContact CG-CD1 3.98Å; M710-I765 HydrophobicContact CG-CG1 4.16Å; M710-I765 HydrophobicContact CG-CG2 4.39Å |
| 711 | I | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -34.3 | -179.3 | -169.1 | 61.4 | 0 | 0 | 0 | 112.3 | C637 I685 L688 T689 A692 E707 I708 A709 V713 A714 A715 | C637-I711 HydrophobicContact CB-CG1 3.69Å; C637-I711 HydrophobicContact CB-CG2 4.43Å; I685-I711 HydrophobicContact CB-CD1 4.32Å; I685-I711 WeakPolarHBondContact O-CD1 3.5Å; L688-I711 HydrophobicContact CB-CD1 3.95Å; L688-I711 HydrophobicContact CD2-CB 4.44Å; L688-I711 HydrophobicContact CD2-CD1 3.94Å; L688-I711 HydrophobicContact CG-CB 4.25Å; L688-I711 HydrophobicContact CG-CD1 3.9Å; T689-I711 VanDerWaalsContact OG1-CD1 3.25Å; T689-I711 WeakPolarHBondContact OG1-CD1 3.47Å; T689-I711 WeakPolarHBondContact OG1-CG1 3.45Å; A692-I711 HydrophobicContact CB-CG2 4.06Å; E707-I711 PolarHBondContact O-N 2.99Å; I708-I711 WeakPolarHBondContact O-CG2 3.22Å; A709-I711 PolarHBondContact O-N 3.45Å; I711-V713 PolarHBondContact O-N 2.77Å; I711-A714 PolarHBondContact O-N 2.89Å; I711-A714 VanDerWaalsContact O-N 3.15Å; I711-A715 HydrophobicContact CD1-CB 3.94Å; I711-A715 HydrophobicContact CG1-CB 4.28Å; I711-A715 PolarHBondContact O-N 3.41Å |
| 712 | K | 98.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -30.2 | 177.4 | 179.4 | 56.3 | -179.5 | 63.8 | 0 | 113 | R633 I708 A709 P716 L751 A754 G756 H761 | R633-K712 HydrophobicContact CB-CD 4.23Å; R633-K712 HydrophobicContact CB-CG 4.48Å; R633-K712 HydrophobicContact CG-CD 4Å; R633-K712 HydrophobicContact CG-CG 4.14Å; I708-K712 VanDerWaalsContact O-CB 3.25Å; I708-K712 WeakPolarHBondContact O-CB 3.39Å; I708-K712 PolarHBondContact O-N 2.71Å; A709-K712 PolarHBondContact O-N 2.86Å; K712-P716 WeakPolarHBondContact O-CD 3.31Å; K712-P716 WeakPolarHBondContact O-CG 3.37Å; K712-L751 PolarHBondContact NZ-O 2.93Å; K712-A754 WeakPolarHBondContact CE-O 3.49Å; K712-A754 PolarHBondContact NZ-O 3.5Å; K712-G756 PolarHBondContact NZ-O 3.2Å; K712-H761 WeakPolarHBondContact CG-NE2 3.41Å |
| 713 | V | 98.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -82.7 | -45.7 | 171.7 | 178 | 0 | 0 | 0 | 0 | 111.1 | A709 M710 I711 R717 H761 L762 I765 | A709-V713 PolarHBondContact O-N 2.79Å; M710-V713 PolarHBondContact O-N 3.07Å; I711-V713 PolarHBondContact O-N 2.77Å; V713-R717 WeakPolarHBondContact O-CD 3.5Å; V713-R717 VanDerWaalsContact O-CG 3.32Å; V713-R717 WeakPolarHBondContact O-CG 3.4Å; V713-H761 HydrophobicContact CG2-CB 3.45Å; V713-H761 VanDerWaalsContact CG2-CB 3.45Å; V713-L762 HydrophobicContact CG1-CD2 4.14Å; V713-L762 HydrophobicContact CG1-CG 4.24Å; V713-L762 HydrophobicContact CG2-CG 4.26Å; V713-I765 HydrophobicContact CG2-CD1 4.38Å |
| 714 | A | 98.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.8 | -48 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L688 M710 I711 A718 | L688-A714 HydrophobicContact CD2-CB 3.85Å; M710-A714 WeakPolarHBondContact O-CB 3.39Å; M710-A714 PolarHBondContact O-N 2.79Å; I711-A714 PolarHBondContact O-N 2.89Å; I711-A714 VanDerWaalsContact O-N 3.15Å; A714-A718 VanDerWaalsContact O-CB 3.23Å; A714-A718 WeakPolarHBondContact O-CB 3.49Å; A714-A718 PolarHBondContact O-N 3.17Å |
| 715 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.7 | -53.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C637 T640 I685 I711 R717 A718 V719 | C637-A715 HydrophobicContact CB-CB 4.08Å; T640-A715 HydrophobicContact CG2-CB 4.45Å; I685-A715 HydrophobicContact CB-CB 4.49Å; I685-A715 HydrophobicContact CD1-CB 4.46Å; I711-A715 HydrophobicContact CD1-CB 3.94Å; I711-A715 HydrophobicContact CG1-CB 4.28Å; I711-A715 PolarHBondContact O-N 3.41Å; A715-R717 PolarHBondContact O-N 3.49Å; A715-A718 PolarHBondContact O-N 3.27Å; A715-V719 WeakPolarHBondContact O-CG2 3.44Å; A715-V719 PolarHBondContact O-N 3.09Å |
| 716 | P | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | -173.3 | -25 | 36.8 | 0 | 0 | 0 | 113.2 | K712 C720 L751 R752 | K712-P716 WeakPolarHBondContact O-CD 3.31Å; K712-P716 WeakPolarHBondContact O-CG 3.37Å; P716-C720 WeakPolarHBondContact O-CB 3.49Å; P716-C720 PolarHBondContact O-N 2.72Å; P716-L751 HydrophobicContact CB-CB 3.95Å; P716-L751 HydrophobicContact CG-CB 4.05Å; P716-R752 HydrophobicContact CB-CG 3.77Å |
| 717 | R | 98.4 | Very high | 98.6 | Very high | 128 Ų | 128 | 25.5 Ų | 25.5 | 48% | 0.483 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -71.4 | -36.3 | -178.6 | 74.7 | -171.7 | -179 | 170 | -1.9 | 113.2 | V713 A715 K721 | V713-R717 WeakPolarHBondContact O-CD 3.5Å; V713-R717 VanDerWaalsContact O-CG 3.32Å; V713-R717 WeakPolarHBondContact O-CG 3.4Å; A715-R717 PolarHBondContact O-N 3.49Å; R717-K721 PolarHBondContact O-N 3.34Å |
| 718 | A | 98.7 | Very high | 98.6 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 20% | 0.198 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I685 A714 A715 K721 I722 | I685-A718 HydrophobicContact CG2-CB 4.05Å; A714-A718 VanDerWaalsContact O-CB 3.23Å; A714-A718 WeakPolarHBondContact O-CB 3.49Å; A714-A718 PolarHBondContact O-N 3.17Å; A715-A718 PolarHBondContact O-N 3.27Å; A718-K721 WeakPolarHBondContact O-CB 3.42Å; A718-K721 PolarHBondContact O-N 2.81Å; A718-I722 WeakPolarHBondContact O-CG1 3.44Å; A718-I722 PolarHBondContact O-N 3.07Å |
| 719 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.7 | -35.5 | -178.6 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | T640 L643 A644 I685 A715 K721 I722 V723 T748 | T640-V719 HydrophobicContact CG2-CB 3.62Å; T640-V719 HydrophobicContact CG2-CG1 4Å; T640-V719 HydrophobicContact CG2-CG2 3.51Å; L643-V719 HydrophobicContact CD2-CG1 3.51Å; A644-V719 HydrophobicContact CB-CB 4.23Å; A644-V719 HydrophobicContact CB-CG1 3.58Å; A644-V719 HydrophobicContact CB-CG2 3.62Å; I685-V719 HydrophobicContact CD1-CG2 3.34Å; A715-V719 WeakPolarHBondContact O-CG2 3.44Å; A715-V719 PolarHBondContact O-N 3.09Å; V719-K721 PolarHBondContact O-N 3.28Å; V719-I722 PolarHBondContact O-N 3.38Å; V719-V723 HydrophobicContact CG1-CG2 4.14Å; V719-V723 WeakPolarHBondContact O-CG2 3.45Å; V719-V723 PolarHBondContact O-N 3.24Å; V719-T748 HydrophobicContact CB-CG2 4.27Å; V719-T748 HydrophobicContact CG1-CG2 3.94Å |
| 720 | C | 98.6 | Very high | 98.7 | Very high | 10 Ų | 10 | 30 Ų | 30 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.4 | -40.5 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | P716 D724 Y745 | P716-C720 WeakPolarHBondContact O-CB 3.49Å; P716-C720 PolarHBondContact O-N 2.72Å; C720-D724 WeakPolarHBondContact O-CB 3.31Å; C720-D724 PolarHBondContact O-N 3.11Å; C720-Y745 WeakPolarHBondContact SG-CE2 3.31Å |
| 721 | K | 98.9 | Very high | 98.7 | Very high | 115 Ų | 115 | 29 Ų | 29 | 50% | 0.5 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -68 | -40.7 | 175 | -164.4 | -175.1 | -169.3 | -165.5 | 0 | 113.2 | R717 A718 V719 D724 W725 | R717-K721 PolarHBondContact O-N 3.34Å; A718-K721 WeakPolarHBondContact O-CB 3.42Å; A718-K721 PolarHBondContact O-N 2.81Å; V719-K721 PolarHBondContact O-N 3.28Å; K721-D724 PolarHBondContact O-N 3.31Å; K721-W725 HydrophobicContact CD-CH2 3.78Å; K721-W725 HydrophobicContact CD-CZ2 3.9Å; K721-W725 HydrophobicContact CD-CZ3 4.25Å; K721-W725 HydrophobicContact CG-CD2 4.35Å; K721-W725 HydrophobicContact CG-CE3 4.41Å; K721-W725 HydrophobicContact CG-CH2 4.16Å; K721-W725 HydrophobicContact CG-CZ2 4.07Å; K721-W725 HydrophobicContact CG-CZ3 4.3Å; K721-W725 PolarHBondContact O-N 2.65Å |
| 722 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.9 | -64.8 | 171 | 0 | 0 | 0 | 110.5 | A644 A647 M651 A681 I682 A718 V719 W725 A726 | A644-I722 HydrophobicContact CB-CD1 4.26Å; A647-I722 HydrophobicContact CB-CG2 4.24Å; M651-I722 HydrophobicContact CE-CG2 4.35Å; M651-I722 WeakPolarHBondContact CE-O 3.41Å; A681-I722 HydrophobicContact CB-CD1 4.01Å; I682-I722 HydrophobicContact CD1-CD1 4.31Å; I682-I722 HydrophobicContact CG1-CD1 3.79Å; A718-I722 WeakPolarHBondContact O-CG1 3.44Å; A718-I722 PolarHBondContact O-N 3.07Å; V719-I722 PolarHBondContact O-N 3.38Å; I722-W725 PolarHBondContact O-N 2.91Å; I722-A726 PolarHBondContact O-N 3.34Å |
| 723 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 178.2 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | L643 A647 V719 W725 A726 I727 L741 M744 | L643-V723 HydrophobicContact CD2-CG2 3.67Å; A647-V723 HydrophobicContact CB-CG2 3.96Å; V719-V723 HydrophobicContact CG1-CG2 4.14Å; V719-V723 WeakPolarHBondContact O-CG2 3.45Å; V719-V723 PolarHBondContact O-N 3.24Å; V723-W725 VanDerWaalsContact C-N 3.33Å; V723-W725 PolarHBondContact O-N 2.81Å; V723-A726 CarbonylContact O-C 3.54Å; V723-A726 WeakPolarHBondContact O-CA 3.22Å; V723-A726 WeakPolarHBondContact O-CB 3.44Å; V723-A726 PolarHBondContact O-N 3.01Å; V723-I727 HydrophobicContact CG1-CD1 4.22Å; V723-I727 HydrophobicContact CG1-CG1 4.46Å; V723-I727 WeakPolarHBondContact O-CG1 3.06Å; V723-I727 PolarHBondContact O-N 3.35Å; V723-L741 VanDerWaalsContact CG1-O 3.25Å; V723-L741 WeakPolarHBondContact CG1-O 3.04Å; V723-M744 HydrophobicContact CG1-CB 3.97Å; V723-M744 HydrophobicContact CG2-CB 4.2Å |
| 724 | D | 98.9 | Very high | 98.7 | Very high | 71 Ų | 71 | 32.9 Ų | 32.9 | 38% | 0.38 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.2 | -43 | 175.8 | -176.7 | 70.2 | 0 | 0 | 0 | 112.4 | C720 K721 A726 I727 Q728 Y745 | C720-D724 WeakPolarHBondContact O-CB 3.31Å; C720-D724 PolarHBondContact O-N 3.11Å; K721-D724 PolarHBondContact O-N 3.31Å; D724-A726 VanDerWaalsContact C-N 3.31Å; D724-A726 PolarHBondContact O-N 3.28Å; D724-I727 WeakPolarHBondContact O-CB 3.47Å; D724-I727 PolarHBondContact O-N 2.97Å; D724-Q728 PolarHBondContact O-N 3.18Å; D724-Y745 HydrophobicContact CB-CD2 4.33Å; D724-Y745 HydrophobicContact CB-CE2 4.13Å |
| 725 | W | 98.9 | Very high | 98.6 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 172.2 | -73 | -26.5 | 0 | 0 | 0 | 113.2 | M651 R674 E677 K721 I722 V723 Q728 V729 | M651-W725 HydrophobicContact CE-CB 3.91Å; R674-W725 HydrophobicContact CB-CB 4.43Å; R674-W725 HydrophobicContact CB-CD2 4.17Å; R674-W725 HydrophobicContact CB-CE3 4.35Å; R674-W725 HydrophobicContact CB-CG 4.24Å; R674-W725 HydrophobicContact CG-CB 4.46Å; R674-W725 HydrophobicContact CG-CD2 3.87Å; R674-W725 HydrophobicContact CG-CE3 4.46Å; R674-W725 HydrophobicContact CG-CG 3.88Å; R674-W725 HydrophobicContact CG-CZ2 4.5Å; E677-W725 HydrophobicContact CB-CH2 3.75Å; E677-W725 HydrophobicContact CB-CZ3 3.68Å; E677-W725 HydrophobicContact CG-CH2 4.3Å; K721-W725 HydrophobicContact CD-CH2 3.78Å; K721-W725 HydrophobicContact CD-CZ2 3.9Å; K721-W725 HydrophobicContact CD-CZ3 4.25Å; K721-W725 HydrophobicContact CG-CD2 4.35Å; K721-W725 HydrophobicContact CG-CE3 4.41Å; K721-W725 HydrophobicContact CG-CH2 4.16Å; K721-W725 HydrophobicContact CG-CZ2 4.07Å; K721-W725 HydrophobicContact CG-CZ3 4.3Å; K721-W725 PolarHBondContact O-N 2.65Å; I722-W725 PolarHBondContact O-N 2.91Å; V723-W725 VanDerWaalsContact C-N 3.33Å; V723-W725 PolarHBondContact O-N 2.81Å; W725-Q728 PolarHBondContact O-N 3.47Å; W725-V729 WeakPolarHBondContact O-CG2 3.36Å; W725-V729 PolarHBondContact O-N 3.34Å |
| 726 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | A647 M651 I722 V723 D724 Q728 V729 C730 L741 | A647-A726 HydrophobicContact CB-CB 4.42Å; M651-A726 HydrophobicContact CB-CB 4.03Å; M651-A726 HydrophobicContact CE-CB 3.8Å; M651-A726 HydrophobicContact CG-CB 4.43Å; I722-A726 PolarHBondContact O-N 3.34Å; V723-A726 CarbonylContact O-C 3.54Å; V723-A726 WeakPolarHBondContact O-CA 3.22Å; V723-A726 WeakPolarHBondContact O-CB 3.44Å; V723-A726 PolarHBondContact O-N 3.01Å; D724-A726 VanDerWaalsContact C-N 3.31Å; D724-A726 PolarHBondContact O-N 3.28Å; A726-Q728 VanDerWaalsContact C-N 3.31Å; A726-Q728 PolarHBondContact O-N 2.99Å; A726-V729 PolarHBondContact O-N 3.3Å; A726-C730 PolarHBondContact O-N 2.98Å; A726-L741 HydrophobicContact CB-CD1 4.09Å; A726-L741 HydrophobicContact CB-CD2 3.75Å |
| 727 | I | 98.9 | Very high | 98.1 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.4 | -50.2 | 171.4 | -68.7 | 172.7 | 0 | 0 | 0 | 109.4 | V723 D724 V729 C730 G731 V735 L741 Y745 | V723-I727 HydrophobicContact CG1-CD1 4.22Å; V723-I727 HydrophobicContact CG1-CG1 4.46Å; V723-I727 WeakPolarHBondContact O-CG1 3.06Å; V723-I727 PolarHBondContact O-N 3.35Å; D724-I727 WeakPolarHBondContact O-CB 3.47Å; D724-I727 PolarHBondContact O-N 2.97Å; I727-V729 VanDerWaalsContact C-N 3.32Å; I727-V729 PolarHBondContact O-N 3.36Å; I727-C730 CarbonylContact O-C 3.48Å; I727-C730 WeakPolarHBondContact O-CA 3.19Å; I727-C730 WeakPolarHBondContact O-CB 3.45Å; I727-C730 PolarHBondContact O-N 3.34Å; I727-G731 PolarHBondContact O-N 3.35Å; I727-V735 HydrophobicContact CG2-CG1 3.74Å; I727-L741 HydrophobicContact CD1-CB 4.43Å; I727-L741 HydrophobicContact CG1-CB 3.66Å; I727-L741 HydrophobicContact CG1-CD1 4.42Å; I727-Y745 HydrophobicContact CD1-CD2 4.46Å; I727-Y745 HydrophobicContact CD1-CG 4.37Å |
| 728 | Q | 98.8 | Very high | 97.8 | Very high | 120 Ų | 120 | 43.7 Ų | 43.7 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.2 | -37.4 | -178.8 | -168.6 | 63.1 | 34.4 | 0 | 0 | 112.9 | R674 D724 W725 A726 C730 G731 | R674-Q728 VanDerWaalsContact NH1-CG 3.29Å; D724-Q728 PolarHBondContact O-N 3.18Å; W725-Q728 PolarHBondContact O-N 3.47Å; A726-Q728 VanDerWaalsContact C-N 3.31Å; A726-Q728 PolarHBondContact O-N 2.99Å; Q728-C730 VanDerWaalsContact C-N 3.33Å; Q728-G731 PolarHBondContact O-N 3.1Å |
| 729 | V | 98.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.2 | -32 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | M651 R654 A655 V671 W725 A726 I727 G731 | M651-V729 HydrophobicContact CG-CB 3.95Å; M651-V729 HydrophobicContact CG-CG1 4.05Å; M651-V729 HydrophobicContact CG-CG2 3.82Å; M651-V729 HydrophobicContact SD-CG2 4.36Å; R654-V729 HydrophobicContact CB-CG1 4.4Å; R654-V729 HydrophobicContact CG-CG1 4.42Å; A655-V729 HydrophobicContact CB-CG1 4.05Å; V671-V729 HydrophobicContact CG1-CG2 4.05Å; W725-V729 WeakPolarHBondContact O-CG2 3.36Å; W725-V729 PolarHBondContact O-N 3.34Å; A726-V729 PolarHBondContact O-N 3.3Å; I727-V729 VanDerWaalsContact C-N 3.32Å; I727-V729 PolarHBondContact O-N 3.36Å; V729-G731 VanDerWaalsContact C-N 3.3Å |
| 730 | C | 98.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.9 | -16.9 | 173.6 | -73.5 | 0 | 0 | 0 | 0 | 113.9 | A726 I727 Q728 L741 | A726-C730 PolarHBondContact O-N 2.98Å; I727-C730 CarbonylContact O-C 3.48Å; I727-C730 WeakPolarHBondContact O-CA 3.19Å; I727-C730 WeakPolarHBondContact O-CB 3.45Å; I727-C730 PolarHBondContact O-N 3.34Å; Q728-C730 VanDerWaalsContact C-N 3.33Å; C730-L741 HydrophobicContact CB-CD1 4.23Å |
| 731 | G | 98.5 | Very high | 97.4 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | 66.6 | -141.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I727 Q728 V729 A733 G734 | I727-G731 PolarHBondContact O-N 3.35Å; Q728-G731 PolarHBondContact O-N 3.1Å; V729-G731 VanDerWaalsContact C-N 3.3Å; G731-A733 PolarHBondContact O-N 3.26Å; G731-A733 VanDerWaalsContact O-N 3.12Å; G731-G734 PolarHBondContact O-N 3.21Å |
| 732 | G | 98.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 68% | 0.68 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -57.5 | -27.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G734 V735 | G732-G734 PolarHBondContact O-N 3.29Å; G732-V735 VanDerWaalsContact O-CG2 3.26Å; G732-V735 WeakPolarHBondContact O-CG2 3.48Å |
| 733 | A | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -71.1 | -18.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G731 V735 S736 Y739 | G731-A733 PolarHBondContact O-N 3.26Å; G731-A733 VanDerWaalsContact O-N 3.12Å; A733-V735 PolarHBondContact O-N 3.32Å; A733-S736 PolarHBondContact O-N 3.05Å; A733-S736 PolarHBondContact O-OG 3.23Å; A733-S736 VanDerWaalsContact O-OG 3.1Å; A733-Y739 HydrophobicContact CB-CD2 4.06Å; A733-Y739 HydrophobicContact CB-CE2 3.98Å; A733-Y739 WeakPolarHBondContact O-CD2 3.47Å |
| 734 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -68.5 | -24.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | G731 G732 | G731-G734 PolarHBondContact O-N 3.21Å; G732-G734 PolarHBondContact O-N 3.29Å |
| 735 | V | 97.9 | Very high | 97.2 | Very high | 100 Ų | 100 | 45.2 Ų | 45.2 | 61% | 0.606 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -100.9 | 0.4 | 177.4 | -60.9 | 0 | 0 | 0 | 0 | 113 | I727 G732 A733 | I727-V735 HydrophobicContact CG2-CG1 3.74Å; G732-V735 VanDerWaalsContact O-CG2 3.26Å; G732-V735 WeakPolarHBondContact O-CG2 3.48Å; A733-V735 PolarHBondContact O-N 3.32Å |
| 736 | S | 95.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -90.9 | 170.1 | 179.2 | 78.1 | 0 | 0 | 0 | 0 | 112 | A733 D738 | A733-S736 PolarHBondContact O-N 3.05Å; A733-S736 PolarHBondContact O-OG 3.23Å; A733-S736 VanDerWaalsContact O-OG 3.1Å; S736-D738 PolarHBondContact O-N 2.75Å; S736-D738 PolarHBondContact OG-N 3.03Å; S736-D738 PolarHBondContact OG-OD2 3.23Å |
| 737 | Q | 90.4 | Very high | 97.1 | Very high | 135 Ų | 135 | 46.5 Ų | 46.5 | 63% | 0.631 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9.2 | 173.7 | 71.7 | -79.8 | 13 | 0 | 0 | 114.1 | Y739 | Q737-Y739 PolarHBondContact O-N 3.39Š|
| 738 | D | 91.6 | Very high | 97.1 | Very high | 120 Ų | 120 | 45.5 Ų | 45.5 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.8 | -179.4 | -57 | -28.5 | 0 | 0 | 0 | 112.1 | S736 | S736-D738 PolarHBondContact O-N 2.75Å; S736-D738 PolarHBondContact OG-N 3.03Å; S736-D738 PolarHBondContact OG-OD2 3.23Å |
| 739 | Y | 94.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -127.8 | 148.8 | 175.4 | -76.2 | -85.6 | 0 | 0 | 0 | 110.7 | I650 R654 A733 Q737 L741 | I650-Y739 HydrophobicContact CG2-CD1 3.66Å; I650-Y739 HydrophobicContact CG2-CE1 3.75Å; R654-Y739 PolarHBondContact NH1-OH 2.82Å; A733-Y739 HydrophobicContact CB-CD2 4.06Å; A733-Y739 HydrophobicContact CB-CE2 3.98Å; A733-Y739 WeakPolarHBondContact O-CD2 3.47Å; Q737-Y739 PolarHBondContact O-N 3.39Å; Y739-L741 PolarHBondContact O-N 2.86Å |
| 740 | P | 95.8 | Very high | 97.1 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -2.7 | 177 | 31.8 | -36.3 | 0 | 0 | 0 | 113.5 | I650 A742 N743 M744 | I650-P740 HydrophobicContact CD1-CG 3.76Å; P740-A742 PolarHBondContact O-N 3.42Å; P740-N743 PolarHBondContact O-N 3.29Å; P740-M744 HydrophobicContact CB-CG 4.43Å; P740-M744 HydrophobicContact CB-SD 3.98Å; P740-M744 HydrophobicContact CG-SD 3.9Å; P740-M744 VanDerWaalsContact O-CG 3.23Å; P740-M744 WeakPolarHBondContact O-CG 3.47Å; P740-M744 PolarHBondContact O-N 3.46Å |
| 741 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -39 | -167.3 | -64.9 | 172.8 | 0 | 0 | 0 | 113.5 | A647 I650 V723 A726 I727 C730 Y739 M744 Y745 | A647-L741 HydrophobicContact CB-CD2 4.32Å; I650-L741 HydrophobicContact CD1-CD2 4.17Å; I650-L741 HydrophobicContact CG2-CD1 3.95Å; I650-L741 HydrophobicContact CG2-CD2 4.28Å; I650-L741 HydrophobicContact CG2-CG 4.3Å; V723-L741 VanDerWaalsContact CG1-O 3.25Å; V723-L741 WeakPolarHBondContact CG1-O 3.04Å; A726-L741 HydrophobicContact CB-CD1 4.09Å; A726-L741 HydrophobicContact CB-CD2 3.75Å; I727-L741 HydrophobicContact CD1-CB 4.43Å; I727-L741 HydrophobicContact CG1-CB 3.66Å; I727-L741 HydrophobicContact CG1-CD1 4.42Å; C730-L741 HydrophobicContact CB-CD1 4.23Å; Y739-L741 PolarHBondContact O-N 2.86Å; L741-M744 HydrophobicContact CD2-SD 4.1Å; L741-M744 PolarHBondContact O-N 3.04Å; L741-Y745 PolarHBondContact O-N 3.45Å |
| 742 | A | 97.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y591 P740 Y745 A746 | Y591-A742 WeakPolarHBondContact OH-CB 3.48Å; P740-A742 PolarHBondContact O-N 3.42Å; A742-Y745 PolarHBondContact O-N 3.45Å; A742-A746 PolarHBondContact O-N 3.2Å |
| 743 | N | 96.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -45 | 174.2 | 179.6 | -84.1 | 0 | 0 | 0 | 111.2 | Y406 P740 Y745 A746 V747 | Y406-N743 PolarHBondContact OH-ND2 2.92Å; P740-N743 PolarHBondContact O-N 3.29Å; N743-Y745 PolarHBondContact O-N 3.46Å; N743-A746 WeakPolarHBondContact O-CB 3.4Å; N743-A746 PolarHBondContact O-N 3.04Å; N743-A746 VanDerWaalsContact O-N 3.08Å; N743-V747 WeakPolarHBondContact O-CG2 3.4Å; N743-V747 PolarHBondContact O-N 3.03Å |
| 744 | M | 98.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.3 | -37.2 | 175.7 | -69.4 | 165.4 | 78.6 | 0 | 0 | 112.3 | L643 R646 A647 V723 P740 L741 T748 | L643-M744 HydrophobicContact CD1-CB 4.26Å; L643-M744 HydrophobicContact CD1-CG 4.25Å; L643-M744 HydrophobicContact CD2-CB 4.03Å; L643-M744 HydrophobicContact CD2-CE 3.71Å; L643-M744 HydrophobicContact CD2-CG 4.36Å; L643-M744 HydrophobicContact CG-CB 4.24Å; L643-M744 HydrophobicContact CG-CE 3.67Å; L643-M744 HydrophobicContact CG-CG 4.09Å; L643-M744 WeakPolarHBondContact O-CE 3.43Å; R646-M744 HydrophobicContact CB-CE 4.17Å; R646-M744 HydrophobicContact CG-CE 4.33Å; A647-M744 HydrophobicContact CB-CE 3.69Å; V723-M744 HydrophobicContact CG1-CB 3.97Å; V723-M744 HydrophobicContact CG2-CB 4.2Å; P740-M744 HydrophobicContact CB-CG 4.43Å; P740-M744 HydrophobicContact CB-SD 3.98Å; P740-M744 HydrophobicContact CG-SD 3.9Å; P740-M744 VanDerWaalsContact O-CG 3.23Å; P740-M744 WeakPolarHBondContact O-CG 3.47Å; P740-M744 PolarHBondContact O-N 3.46Å; L741-M744 HydrophobicContact CD2-SD 4.1Å; L741-M744 PolarHBondContact O-N 3.04Å; M744-T748 WeakPolarHBondContact O-CG2 3.37Å; M744-T748 PolarHBondContact O-N 2.88Å; M744-T748 VanDerWaalsContact O-N 3.08Å; M744-T748 PolarHBondContact O-OG1 3.16Å |
| 745 | Y | 98.8 | Very high | 96.7 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 174.7 | -177.4 | -90.7 | 0 | 0 | 0 | 111.3 | C720 D724 I727 L741 A742 N743 V747 T748 R749 | C720-Y745 WeakPolarHBondContact SG-CE2 3.31Å; D724-Y745 HydrophobicContact CB-CD2 4.33Å; D724-Y745 HydrophobicContact CB-CE2 4.13Å; I727-Y745 HydrophobicContact CD1-CD2 4.46Å; I727-Y745 HydrophobicContact CD1-CG 4.37Å; L741-Y745 PolarHBondContact O-N 3.45Å; A742-Y745 PolarHBondContact O-N 3.45Å; N743-Y745 PolarHBondContact O-N 3.46Å; Y745-V747 VanDerWaalsContact C-N 3.35Å; Y745-V747 PolarHBondContact O-N 3.23Å; Y745-T748 PolarHBondContact O-N 3.29Å; Y745-T748 PolarHBondContact O-OG1 3.17Å; Y745-T748 VanDerWaalsContact O-OG1 3.09Å; Y745-R749 HydrophobicContact CE1-CB 4.46Å; Y745-R749 VanDerWaalsContact O-CB 3.26Å; Y745-R749 WeakPolarHBondContact O-CB 3.22Å; Y745-R749 PolarHBondContact O-N 3.08Å |
| 746 | A | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.3 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V588 F589 Y591 A742 N743 R749 S750 | V588-A746 HydrophobicContact CG1-CB 4.16Å; F589-A746 HydrophobicContact CD2-CB 3.82Å; Y591-A746 HydrophobicContact CD2-CB 4.06Å; Y591-A746 HydrophobicContact CE2-CB 4.34Å; A742-A746 PolarHBondContact O-N 3.2Å; N743-A746 WeakPolarHBondContact O-CB 3.4Å; N743-A746 PolarHBondContact O-N 3.04Å; N743-A746 VanDerWaalsContact O-N 3.08Å; A746-R749 PolarHBondContact O-N 3.08Å; A746-S750 WeakPolarHBondContact O-CB 3.44Å; A746-S750 PolarHBondContact O-N 3.36Å; A746-S750 PolarHBondContact O-OG 3.29Å; A746-S750 VanDerWaalsContact O-OG 3.12Å |
| 747 | V | 97.6 | Very high | 96.6 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.1 | -53.5 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L643 N743 Y745 R749 S750 L751 | L643-V747 HydrophobicContact CD1-CG1 4.34Å; N743-V747 WeakPolarHBondContact O-CG2 3.4Å; N743-V747 PolarHBondContact O-N 3.03Å; Y745-V747 VanDerWaalsContact C-N 3.35Å; Y745-V747 PolarHBondContact O-N 3.23Å; V747-R749 VanDerWaalsContact C-N 3.29Å; V747-R749 PolarHBondContact O-N 2.97Å; V747-S750 PolarHBondContact O-N 3.44Å; V747-L751 HydrophobicContact CG1-CD1 4.27Å; V747-L751 WeakPolarHBondContact O-CG 3.37Å; V747-L751 PolarHBondContact O-N 3.11Å |
| 748 | T | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -32.6 | -177.6 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | T640 L643 V719 M744 Y745 | T640-T748 HydrophobicContact CG2-CG2 4.3Å; L643-T748 HydrophobicContact CD1-CG2 4.1Å; L643-T748 HydrophobicContact CD2-CG2 3.71Å; V719-T748 HydrophobicContact CB-CG2 4.27Å; V719-T748 HydrophobicContact CG1-CG2 3.94Å; M744-T748 WeakPolarHBondContact O-CG2 3.37Å; M744-T748 PolarHBondContact O-N 2.88Å; M744-T748 VanDerWaalsContact O-N 3.08Å; M744-T748 PolarHBondContact O-OG1 3.16Å; Y745-T748 PolarHBondContact O-N 3.29Å; Y745-T748 PolarHBondContact O-OG1 3.17Å; Y745-T748 VanDerWaalsContact O-OG1 3.09Å |
| 749 | R | 98.7 | Very high | 97.3 | Very high | 77 Ų | 77 | 41.1 Ų | 41.1 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.4 | -40.1 | 174.1 | 179.6 | 59.7 | -170.6 | 94.5 | -5 | 112.3 | F589 Y745 A746 V747 R752 | F589-R749 HydrophobicContact CE2-CB 4.06Å; F589-R749 HydrophobicContact CE2-CG 3.79Å; F589-R749 HydrophobicContact CZ-CG 3.82Å; Y745-R749 HydrophobicContact CE1-CB 4.46Å; Y745-R749 VanDerWaalsContact O-CB 3.26Å; Y745-R749 WeakPolarHBondContact O-CB 3.22Å; Y745-R749 PolarHBondContact O-N 3.08Å; A746-R749 PolarHBondContact O-N 3.08Å; V747-R749 VanDerWaalsContact C-N 3.29Å; V747-R749 PolarHBondContact O-N 2.97Å; R749-R752 WeakPolarHBondContact O-CB 3.44Å; R749-R752 PolarHBondContact O-N 3.31Å |
| 750 | S | 98.1 | Very high | 97.5 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.3 | -35.2 | 176 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | V588 A746 V747 R752 L753 A754 | V588-S750 VanDerWaalsContact CG1-OG 3.23Å; V588-S750 WeakPolarHBondContact CG1-OG 3.35Å; A746-S750 WeakPolarHBondContact O-CB 3.44Å; A746-S750 PolarHBondContact O-N 3.36Å; A746-S750 PolarHBondContact O-OG 3.29Å; A746-S750 VanDerWaalsContact O-OG 3.12Å; V747-S750 PolarHBondContact O-N 3.44Å; S750-R752 PolarHBondContact O-N 3.25Å; S750-R752 VanDerWaalsContact O-N 3.13Å; S750-L753 WeakPolarHBondContact O-CA 3.38Å; S750-L753 WeakPolarHBondContact O-CB 3.28Å; S750-L753 PolarHBondContact O-N 3.42Å; S750-A754 PolarHBondContact O-N 3.07Å |
| 751 | L | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.3 | 176.2 | -73.5 | 176.3 | 0 | 0 | 0 | 114 | H636 K712 P716 V747 L753 | H636-L751 HydrophobicContact CB-CD2 4Å; K712-L751 PolarHBondContact NZ-O 2.93Å; P716-L751 HydrophobicContact CB-CB 3.95Å; P716-L751 HydrophobicContact CG-CB 4.05Å; V747-L751 HydrophobicContact CG1-CD1 4.27Å; V747-L751 WeakPolarHBondContact O-CG 3.37Å; V747-L751 PolarHBondContact O-N 3.11Å; L751-L753 PolarHBondContact O-N 3.02Å |
| 752 | R | 98.6 | Very high | 97.6 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -6.4 | 170.3 | -61.7 | 178.7 | 62.9 | -154.5 | -10.5 | 113.6 | P716 R749 S750 P757 D758 | P716-R752 HydrophobicContact CB-CG 3.77Å; R749-R752 WeakPolarHBondContact O-CB 3.44Å; R749-R752 PolarHBondContact O-N 3.31Å; S750-R752 PolarHBondContact O-N 3.25Å; S750-R752 VanDerWaalsContact O-N 3.13Å; R752-P757 WeakPolarHBondContact O-CA 3.32Å; R752-D758 IonicContact CZ-OD2 2.7Å; R752-D758 IonicContact NE-OD2 2.71Å; R752-D758 PolarHBondContact NE-OD2 3.06Å; R752-D758 IonicContact NH2-OD2 2.79Å; R752-D758 PolarHBondContact NH2-OD2 2.82Å; R752-D758 VanDerWaalsContact NH2-OD2 3.09Å; R752-D758 PolarHBondContact O-N 2.91Å |
| 753 | L | 98.3 | Very high | 97.5 | Very high | 101 Ų | 101 | 46 Ų | 46 | 53% | 0.529 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -47.2 | 178.6 | -63.8 | 169.5 | 0 | 0 | 0 | 111 | S750 L751 G756 | S750-L753 WeakPolarHBondContact O-CA 3.38Å; S750-L753 WeakPolarHBondContact O-CB 3.28Å; S750-L753 PolarHBondContact O-N 3.42Å; L751-L753 PolarHBondContact O-N 3.02Å; L753-G756 CarbonylContact O-C 3.52Å; L753-G756 PolarHBondContact O-N 3.5Å |
| 754 | A | 95.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 146.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K712 S750 G756 | K712-A754 WeakPolarHBondContact CE-O 3.49Å; K712-A754 PolarHBondContact NZ-O 3.5Å; S750-A754 PolarHBondContact O-N 3.07Å; A754-G756 PolarHBondContact O-N 2.84Å; A754-G756 VanDerWaalsContact O-N 3.12Å |
| 755 | D | 93.4 | Very high | 97.5 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 26.4 | -175.8 | -66.9 | -13.7 | 0 | 0 | 0 | 115.2 | L629 R633 H636 H761 | L629-D755 HydrophobicContact CD2-CB 4.31Å; L629-D755 WeakPolarHBondContact CD2-OD1 3.23Å; R633-D755 HydrophobicContact CG-CB 3.84Å; R633-D755 PolarHBondContact NE-O 2.92Å; R633-D755 PolarHBondContact NH2-O 3.37Å; H636-D755 IonicContact CD2-OD2 2.82Å; H636-D755 PolarHBondContact CD2-OD2 3.44Å; H636-D755 IonicContact NE2-OD2 2.77Å; D755-H761 PolarHBondContact O-NE2 3.41Å; D755-H761 VanDerWaalsContact O-NE2 3.17Å |
| 756 | G | 94.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 106.9 | 128.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K712 L753 A754 H761 | K712-G756 PolarHBondContact NZ-O 3.2Å; L753-G756 CarbonylContact O-C 3.52Å; L753-G756 PolarHBondContact O-N 3.5Å; A754-G756 PolarHBondContact O-N 2.84Å; A754-G756 VanDerWaalsContact O-N 3.12Å; G756-H761 PolarHBondContact O-CD2 2.82Å; G756-H761 VanDerWaalsContact O-CD2 3.26Å; G756-H761 PolarHBondContact O-NE2 2.86Å; G756-H761 VanDerWaalsContact O-NE2 3.13Å |
| 757 | P | 97.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | trans | -60.8 | 153.6 | 175.4 | -23.9 | 34 | 0 | 0 | 0 | 113.4 | R752 E759 V760 H761 | R752-P757 WeakPolarHBondContact O-CA 3.32Å; P757-E759 PolarHBondContact O-N 3.05Å; P757-E759 VanDerWaalsContact O-N 3.17Å; P757-V760 HydrophobicContact CB-CG2 4.48Å; P757-V760 HydrophobicContact CG-CG2 4.45Å; P757-V760 PolarHBondContact O-N 2.85Å; P757-V760 VanDerWaalsContact O-N 3.17Å; P757-H761 PolarHBondContact O-CD2 3.45Å; P757-H761 VanDerWaalsContact O-CD2 3.23Å; P757-H761 PolarHBondContact O-N 3.34Å | ||
| 758 | D | 98 | Very high | 97.4 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50 | -42.3 | 178.7 | -65.7 | -15.8 | 0 | 0 | 0 | 111.8 | R752 V760 H761 L762 | R752-D758 IonicContact CZ-OD2 2.7Å; R752-D758 IonicContact NE-OD2 2.71Å; R752-D758 PolarHBondContact NE-OD2 3.06Å; R752-D758 IonicContact NH2-OD2 2.79Å; R752-D758 PolarHBondContact NH2-OD2 2.82Å; R752-D758 VanDerWaalsContact NH2-OD2 3.09Å; R752-D758 PolarHBondContact O-N 2.91Å; D758-V760 PolarHBondContact O-N 3.13Å; D758-H761 PolarHBondContact O-N 3.39Å; D758-L762 WeakPolarHBondContact O-CG 3.47Å; D758-L762 PolarHBondContact O-N 3.38Å |
| 759 | E | 98.4 | Very high | 97.4 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | -174.8 | -63.8 | 69.5 | -148.7 | 0 | 0 | 112.9 | P757 S763 | P757-E759 PolarHBondContact O-N 3.05Å; P757-E759 VanDerWaalsContact O-N 3.17Å; E759-S763 PolarHBondContact O-N 3.13Å; E759-S763 VanDerWaalsContact O-N 3.08Å; E759-S763 PolarHBondContact O-OG 3.46Å |
| 760 | V | 97.4 | Very high | 97.3 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 176.2 | 177 | 0 | 0 | 0 | 0 | 109.9 | P757 D758 S763 A764 | P757-V760 HydrophobicContact CB-CG2 4.48Å; P757-V760 HydrophobicContact CG-CG2 4.45Å; P757-V760 PolarHBondContact O-N 2.85Å; P757-V760 VanDerWaalsContact O-N 3.17Å; D758-V760 PolarHBondContact O-N 3.13Å; V760-S763 PolarHBondContact O-N 3.4Å; V760-A764 PolarHBondContact O-N 3.17Å; V760-A764 VanDerWaalsContact O-N 3.08Å |
| 761 | H | 97.8 | Very high | 97.1 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 177.6 | -67.5 | -58.1 | 0 | 0 | 0 | 112 | R633 A709 K712 V713 D755 G756 P757 D758 S763 A764 I765 | R633-H761 PolarHBondContact NE-CE1 3.1Å; A709-H761 HydrophobicContact CB-CB 4.4Å; K712-H761 WeakPolarHBondContact CG-NE2 3.41Å; V713-H761 HydrophobicContact CG2-CB 3.45Å; V713-H761 VanDerWaalsContact CG2-CB 3.45Å; D755-H761 PolarHBondContact O-NE2 3.41Å; D755-H761 VanDerWaalsContact O-NE2 3.17Å; G756-H761 PolarHBondContact O-CD2 2.82Å; G756-H761 VanDerWaalsContact O-CD2 3.26Å; G756-H761 PolarHBondContact O-NE2 2.86Å; G756-H761 VanDerWaalsContact O-NE2 3.13Å; P757-H761 PolarHBondContact O-CD2 3.45Å; P757-H761 VanDerWaalsContact O-CD2 3.23Å; P757-H761 PolarHBondContact O-N 3.34Å; D758-H761 PolarHBondContact O-N 3.39Å; H761-S763 VanDerWaalsContact C-N 3.33Å; H761-S763 PolarHBondContact O-N 3.08Å; H761-A764 PolarHBondContact O-N 3.17Å; H761-I765 WeakPolarHBondContact O-CD1 3.49Å; H761-I765 WeakPolarHBondContact O-CG1 3.47Å; H761-I765 PolarHBondContact O-N 3.16Å |
| 762 | L | 98.4 | Very high | 96.8 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 42% | 0.419 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.7 | -45 | 174.1 | -76.5 | 168.3 | 0 | 0 | 0 | 111.9 | V713 D758 I765 A766 | V713-L762 HydrophobicContact CG1-CD2 4.14Å; V713-L762 HydrophobicContact CG1-CG 4.24Å; V713-L762 HydrophobicContact CG2-CG 4.26Å; D758-L762 WeakPolarHBondContact O-CG 3.47Å; D758-L762 PolarHBondContact O-N 3.38Å; L762-I765 PolarHBondContact O-N 2.85Å; L762-A766 WeakPolarHBondContact O-CB 3.01Å; L762-A766 PolarHBondContact O-N 3.45Å |
| 763 | S | 97.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 59 Ų | 59 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 178.1 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | E759 V760 H761 A766 T767 | E759-S763 PolarHBondContact O-N 3.13Å; E759-S763 VanDerWaalsContact O-N 3.08Å; E759-S763 PolarHBondContact O-OG 3.46Å; V760-S763 PolarHBondContact O-N 3.4Å; H761-S763 VanDerWaalsContact C-N 3.33Å; H761-S763 PolarHBondContact O-N 3.08Å; S763-A766 PolarHBondContact O-N 3.14Å; S763-T767 PolarHBondContact O-N 2.96Å; S763-T767 PolarHBondContact O-OG1 2.92Å |
| 764 | A | 95.4 | Very high | 96.2 | Very high | 33 Ų | 33 | 56.6 Ų | 56.6 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V760 H761 T767 M768 | V760-A764 PolarHBondContact O-N 3.17Å; V760-A764 VanDerWaalsContact O-N 3.08Å; H761-A764 PolarHBondContact O-N 3.17Å; A764-T767 PolarHBondContact O-N 3.5Å; A764-M768 HydrophobicContact CB-CE 4.21Å; A764-M768 VanDerWaalsContact O-CE 3.29Å; A764-M768 WeakPolarHBondContact O-CE 3.44Å; A764-M768 WeakPolarHBondContact O-CG 3.35Å; A764-M768 PolarHBondContact O-N 3.23Å |
| 765 | I | 98.2 | Very high | 95.9 | Very high | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.159 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 176.1 | -66.2 | 158.5 | 0 | 0 | 0 | 110.4 | A709 M710 V713 H761 L762 T767 M768 E769 | A709-I765 HydrophobicContact CB-CD1 4.1Å; A709-I765 HydrophobicContact CB-CG1 3.76Å; M710-I765 HydrophobicContact CB-CD1 4.47Å; M710-I765 HydrophobicContact CG-CD1 3.98Å; M710-I765 HydrophobicContact CG-CG1 4.16Å; M710-I765 HydrophobicContact CG-CG2 4.39Å; V713-I765 HydrophobicContact CG2-CD1 4.38Å; H761-I765 WeakPolarHBondContact O-CD1 3.49Å; H761-I765 WeakPolarHBondContact O-CG1 3.47Å; H761-I765 PolarHBondContact O-N 3.16Å; L762-I765 PolarHBondContact O-N 2.85Å; I765-T767 VanDerWaalsContact C-N 3.3Å; I765-T767 PolarHBondContact O-N 3.47Å; I765-M768 PolarHBondContact O-N 3.42Å; I765-E769 WeakPolarHBondContact O-CB 3.23Å; I765-E769 PolarHBondContact O-N 3.06Å |
| 766 | A | 98.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 64.5 Ų | 64.5 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L762 S763 E769 L770 | L762-A766 WeakPolarHBondContact O-CB 3.01Å; L762-A766 PolarHBondContact O-N 3.45Å; S763-A766 PolarHBondContact O-N 3.14Å; A766-E769 PolarHBondContact O-N 3.27Å; A766-L770 WeakPolarHBondContact O-CG 3.39Å; A766-L770 PolarHBondContact O-N 3.27Å |
| 767 | T | 97.2 | Very high | 95.2 | Very high | 76 Ų | 76 | 69.2 Ų | 69.2 | 47% | 0.466 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 177 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | S763 A764 I765 L770 Q771 | S763-T767 PolarHBondContact O-N 2.96Å; S763-T767 PolarHBondContact O-OG1 2.92Å; A764-T767 PolarHBondContact O-N 3.5Å; I765-T767 VanDerWaalsContact C-N 3.3Å; I765-T767 PolarHBondContact O-N 3.47Å; T767-L770 PolarHBondContact O-N 3.31Å; T767-Q771 WeakPolarHBondContact O-CG 3.47Å; T767-Q771 PolarHBondContact O-N 2.91Å |
| 768 | M | 97.4 | Very high | 94.5 | Very high | 29 Ų | 29 | 72.8 Ų | 72.8 | 14% | 0.143 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 178.5 | -71 | -178.1 | -75.4 | 0 | 0 | 111.9 | K705 K706 A764 I765 Q771 D772 | K705-M768 HydrophobicContact CB-SD 4.49Å; K705-M768 HydrophobicContact CD-SD 4.23Å; K705-M768 HydrophobicContact CG-CE 4.39Å; K705-M768 HydrophobicContact CG-SD 4.21Å; K706-M768 HydrophobicContact CB-CE 4.02Å; K706-M768 HydrophobicContact CB-SD 3.92Å; K706-M768 HydrophobicContact CD-CB 4.25Å; K706-M768 HydrophobicContact CG-CB 4.38Å; K706-M768 HydrophobicContact CG-CE 4.17Å; K706-M768 HydrophobicContact CG-SD 4.38Å; A764-M768 HydrophobicContact CB-CE 4.21Å; A764-M768 VanDerWaalsContact O-CE 3.29Å; A764-M768 WeakPolarHBondContact O-CE 3.44Å; A764-M768 WeakPolarHBondContact O-CG 3.35Å; A764-M768 PolarHBondContact O-N 3.23Å; I765-M768 PolarHBondContact O-N 3.42Å; M768-Q771 PolarHBondContact O-N 2.84Å; M768-D772 VanDerWaalsContact O-CG 3.25Å; M768-D772 PolarHBondContact O-N 3.07Å |
| 769 | E | 97.6 | Very high | 93.1 | Very high | 70 Ų | 70 | 76.8 Ų | 76.8 | 33% | 0.327 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 176.1 | -176.3 | 59.7 | -150.6 | 0 | 0 | 111.8 | K706 I765 A766 Q771 D772 Q773 | K706-E769 WeakPolarHBondContact CE-OE2 3.43Å; K706-E769 IonicContact NZ-OE2 3.81Å; K706-E769 PolarHBondContact NZ-OE2 2.91Å; I765-E769 WeakPolarHBondContact O-CB 3.23Å; I765-E769 PolarHBondContact O-N 3.06Å; A766-E769 PolarHBondContact O-N 3.27Å; E769-Q771 VanDerWaalsContact C-N 3.29Å; E769-Q771 PolarHBondContact O-N 3.42Å; E769-D772 PolarHBondContact O-N 3.35Å; E769-Q773 VanDerWaalsContact O-CG 3.3Å; E769-Q773 WeakPolarHBondContact O-CG 3.41Å; E769-Q773 PolarHBondContact O-N 3.14Å; E769-Q773 PolarHBondContact OE1-NE2 3.48Å |
| 770 | L | 96.4 | Very high | 91.3 | Very high | 127 Ų | 127 | 80.3 Ų | 80.3 | 67% | 0.665 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.3 | -39.2 | 176.8 | -72.2 | 168.8 | 0 | 0 | 0 | 112.2 | A766 T767 Q773 A774 | A766-L770 WeakPolarHBondContact O-CG 3.39Å; A766-L770 PolarHBondContact O-N 3.27Å; T767-L770 PolarHBondContact O-N 3.31Å; L770-Q773 PolarHBondContact O-N 3.49Å; L770-A774 WeakPolarHBondContact O-CB 3.44Å; L770-A774 PolarHBondContact O-N 3.39Å |
| 771 | Q | 95.1 | Very high | 89.3 | Confident | 106 Ų | 106 | 87.7 Ų | 87.7 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.9 | -71.1 | 174.2 | -8.6 | 0 | 0 | 112.2 | T767 M768 E769 Q773 A774 K775 | T767-Q771 WeakPolarHBondContact O-CG 3.47Å; T767-Q771 PolarHBondContact O-N 2.91Å; M768-Q771 PolarHBondContact O-N 2.84Å; E769-Q771 VanDerWaalsContact C-N 3.29Å; E769-Q771 PolarHBondContact O-N 3.42Å; Q771-Q773 VanDerWaalsContact C-N 3.35Å; Q771-A774 PolarHBondContact O-N 3.41Å; Q771-K775 WeakPolarHBondContact O-CG 3.4Å; Q771-K775 PolarHBondContact O-N 2.74Å |
| 772 | D | 90.5 | Very high | 88.9 | Confident | 51 Ų | 51 | 91.6 Ų | 91.6 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 177.4 | -67.9 | -24.1 | 0 | 0 | 0 | 111.6 | K706 M768 E769 K775 K776 | K706-D772 IonicContact NZ-OD2 2.98Å; K706-D772 PolarHBondContact NZ-OD2 2.94Å; M768-D772 VanDerWaalsContact O-CG 3.25Å; M768-D772 PolarHBondContact O-N 3.07Å; E769-D772 PolarHBondContact O-N 3.35Å; D772-K775 PolarHBondContact O-N 3.27Å; D772-K776 WeakPolarHBondContact O-CG 3.16Å; D772-K776 PolarHBondContact O-N 3.01Å; D772-K776 VanDerWaalsContact O-N 3.17Å |
| 773 | Q | 93.1 | Very high | 88.4 | Confident | 87 Ų | 87 | 92.2 Ų | 92.2 | 41% | 0.407 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 176.6 | -64.8 | -63.8 | 2.5 | 0 | 0 | 112.1 | E769 L770 Q771 K775 K776 L777 | E769-Q773 VanDerWaalsContact O-CG 3.3Å; E769-Q773 WeakPolarHBondContact O-CG 3.41Å; E769-Q773 PolarHBondContact O-N 3.14Å; E769-Q773 PolarHBondContact OE1-NE2 3.48Å; L770-Q773 PolarHBondContact O-N 3.49Å; Q771-Q773 VanDerWaalsContact C-N 3.35Å; Q773-K775 PolarHBondContact O-N 3.18Å; Q773-K776 PolarHBondContact O-N 2.84Å; Q773-L777 WeakPolarHBondContact O-CG 2.89Å; Q773-L777 PolarHBondContact O-N 3.46Å; Q773-L777 VanDerWaalsContact O-N 3.15Å |
| 774 | A | 92.9 | Very high | 87.9 | Confident | 51 Ų | 51 | 93.2 Ų | 93.2 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L770 Q771 K776 L777 T778 | L770-A774 WeakPolarHBondContact O-CB 3.44Å; L770-A774 PolarHBondContact O-N 3.39Å; Q771-A774 PolarHBondContact O-N 3.41Å; A774-K776 VanDerWaalsContact C-N 3.3Å; A774-K776 PolarHBondContact O-N 3.11Å; A774-L777 PolarHBondContact O-N 3.42Å; A774-L777 VanDerWaalsContact O-N 3.14Å; A774-T778 PolarHBondContact O-N 3.22Å; A774-T778 VanDerWaalsContact O-N 3.13Å; A774-T778 PolarHBondContact O-OG1 3Å |
| 775 | K | 89.2 | Confident | 87.4 | Confident | 136 Ų | 136 | 96.7 Ų | 96.7 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.2 | -40.2 | 176.8 | -72.9 | 172 | -176.5 | 172.4 | 0 | 112.7 | Q771 D772 Q773 L777 T778 A779 | Q771-K775 WeakPolarHBondContact O-CG 3.4Å; Q771-K775 PolarHBondContact O-N 2.74Å; D772-K775 PolarHBondContact O-N 3.27Å; Q773-K775 PolarHBondContact O-N 3.18Å; K775-L777 VanDerWaalsContact C-N 3.34Å; K775-T778 PolarHBondContact O-N 2.99Å; K775-A779 PolarHBondContact O-N 3.12Å; K775-A779 VanDerWaalsContact O-N 3.08Å |
| 776 | K | 86.6 | Confident | 86.8 | Confident | 121 Ų | 121 | 100.8 Ų | 100.8 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -33.2 | 177.9 | -73.8 | 173.5 | -176.3 | 172.5 | 0 | 112.9 | D772 Q773 A774 K780 | D772-K776 WeakPolarHBondContact O-CG 3.16Å; D772-K776 PolarHBondContact O-N 3.01Å; D772-K776 VanDerWaalsContact O-N 3.17Å; Q773-K776 PolarHBondContact O-N 2.84Å; A774-K776 VanDerWaalsContact C-N 3.3Å; A774-K776 PolarHBondContact O-N 3.11Å; K776-K780 WeakPolarHBondContact O-CG 3.2Å; K776-K780 PolarHBondContact O-N 3Å |
| 777 | L | 86.3 | Confident | 86 | Confident | 118 Ų | 118 | 104.1 Ų | 104.1 | 62% | 0.618 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.3 | -45.4 | 175.2 | -69.9 | 171.7 | 0 | 0 | 0 | 110.8 | Q773 A774 K775 A779 K780 M781 | Q773-L777 WeakPolarHBondContact O-CG 2.89Å; Q773-L777 PolarHBondContact O-N 3.46Å; Q773-L777 VanDerWaalsContact O-N 3.15Å; A774-L777 PolarHBondContact O-N 3.42Å; A774-L777 VanDerWaalsContact O-N 3.14Å; K775-L777 VanDerWaalsContact C-N 3.34Å; L777-A779 VanDerWaalsContact C-N 3.29Å; L777-A779 PolarHBondContact O-N 2.8Å; L777-K780 PolarHBondContact O-N 2.72Å; L777-K780 VanDerWaalsContact O-N 3.12Å; L777-M781 PolarHBondContact O-N 3.11Å |
| 778 | T | 82.6 | Confident | 85.2 | Confident | 100 Ų | 100 | 106.1 Ų | 106.1 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -35.3 | 176.6 | -43.3 | 0 | 0 | 0 | 0 | 112.6 | A774 K775 K780 M781 | A774-T778 PolarHBondContact O-N 3.22Å; A774-T778 VanDerWaalsContact O-N 3.13Å; A774-T778 PolarHBondContact O-OG1 3Å; K775-T778 PolarHBondContact O-N 2.99Å; T778-K780 PolarHBondContact O-N 3.37Å; T778-M781 PolarHBondContact O-N 3.12Å; T778-M781 VanDerWaalsContact O-OXT 3.11Å |
| 779 | A | 68.5 | Low | 84.3 | Confident | 87 Ų | 87 | 112 Ų | 112 | 72% | 0.719 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -13.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K775 L777 | K775-A779 PolarHBondContact O-N 3.12Å; K775-A779 VanDerWaalsContact O-N 3.08Å; L777-A779 VanDerWaalsContact C-N 3.29Å; L777-A779 PolarHBondContact O-N 2.8Å |
| 780 | K | 61.2 | Low | 83.2 | Confident | 184 Ų | 184 | 115.5 Ų | 115.5 | 80% | 0.8 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -15.2 | 176.3 | -75.3 | -177.3 | 177 | -173.7 | 0 | 113.3 | K776 L777 T778 | K776-K780 WeakPolarHBondContact O-CG 3.2Å; K776-K780 PolarHBondContact O-N 3Å; L777-K780 PolarHBondContact O-N 2.72Å; L777-K780 VanDerWaalsContact O-N 3.12Å; T778-K780 PolarHBondContact O-N 3.37Å |
| 781 | M | 55.4 | Low | 81.9 | Confident | 218 Ų | 218 | 114.5 Ų | 114.5 | 100% | 1.074 | 59% | 0.594 | S | S | * | * | trans | -88.7 | 0 | 171.8 | -66.9 | -178.9 | 67.7 | 0 | 0 | 109.3 | L777 T778 | L777-M781 PolarHBondContact O-N 3.11Å; T778-M781 PolarHBondContact O-N 3.12Å; T778-M781 VanDerWaalsContact O-OXT 3.11Å |
Retrieved 781 of 781 residues in 1415 ms
(Link to these results)