| 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 | 38.2 | Very low | 80.1 | Confident | 245 Ų | 245 | 89.5 Ų | 89.5 | 100% | 1.207 | 44% | 0.438 | S | S | * | . | 0 | 111.9 | 0 | -73.3 | -159.8 | -84.2 | 0 | 0 | 108.3 | A3 | M1-A3 PolarHBondContact O-N 2.89Å; M1-A3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | S | 39.1 | Very low | 81.5 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 61% | 0.608 | 40% | 0.404 | S | S | * | . | trans | -67.3 | 106.4 | -177.9 | 166.7 | 0 | 0 | 0 | 0 | 109.2 | T4 | S2-T4 PolarHBondContact O-N 3.34Å; S2-T4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | A | 54.6 | Low | 82.7 | Confident | 56 Ų | 56 | 77 Ų | 77 | 46% | 0.463 | 38% | 0.379 | S | S | . | . | trans | -50.3 | 121.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | M1 R5 R8 | M1-A3 PolarHBondContact O-N 2.89Å; M1-A3 VanDerWaalsContact O-N 3.12Å; A3-R5 PolarHBondContact O-N 3.04Å; A3-R8 HydrophobicContact CB-CG 4.4Å | ||
| 4 | T | 84.6 | Confident | 83.6 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | trans | -47.9 | 132.1 | -173.3 | 44.6 | 0 | 0 | 0 | 0 | 110.6 | S2 Y6 R7 E43 | S2-T4 PolarHBondContact O-N 3.34Å; S2-T4 VanDerWaalsContact O-N 3.08Å; T4-Y6 PolarHBondContact O-N 3.4Å; T4-R7 WeakPolarHBondContact O-CB 3.34Å; T4-R7 PolarHBondContact O-N 3.12Å; T4-R7 WeakPolarHBondContact OG1-CD 3.28Å; T4-R7 PolarHBondContact OG1-NH1 2.84Å; T4-E43 WeakPolarHBondContact CB-OE1 3.27Å; T4-E43 WeakPolarHBondContact CB-OE2 3.37Å; T4-E43 PolarHBondContact OG1-OE1 3.45Å; T4-E43 PolarHBondContact OG1-OE2 3.39Å | ||
| 5 | R | 91.1 | Very high | 84.5 | Confident | 74 Ų | 74 | 83.9 Ų | 83.9 | 28% | 0.279 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -48.9 | -38.3 | -165.2 | -69.9 | 177.3 | 179.6 | 95.9 | 1.2 | 113.1 | A3 R7 R8 F9 F39 D54 | A3-R5 PolarHBondContact O-N 3.04Å; R5-R7 PolarHBondContact O-N 3.08Å; R5-R8 WeakPolarHBondContact O-CB 3.21Å; R5-R8 PolarHBondContact O-N 3.41Å; R5-R8 VanDerWaalsContact O-N 3.1Å; R5-F9 WeakPolarHBondContact O-CD2 3.47Å; R5-F9 PolarHBondContact O-N 2.88Å; R5-F39 HydrophobicContact CB-CE1 4.24Å; R5-F39 HydrophobicContact CB-CZ 4.27Å; R5-D54 WeakPolarHBondContact CD-OD1 3.37Å; R5-D54 IonicContact CZ-OD1 3.22Å; R5-D54 IonicContact CZ-OD2 2.84Å; R5-D54 VanDerWaalsContact NE-CG 3.28Å; R5-D54 IonicContact NE-OD1 2.76Å; R5-D54 PolarHBondContact NE-OD1 2.92Å; R5-D54 IonicContact NE-OD2 3.88Å; R5-D54 PolarHBondContact NE-OD2 3.34Å; R5-D54 VanDerWaalsContact NE-OD2 3.09Å; R5-D54 IonicContact NH2-OD1 3.85Å; R5-D54 IonicContact NH2-OD2 3.53Å; R5-D54 PolarHBondContact NH2-OD2 3.43Å |
| 6 | Y | 94 | Very high | 85.2 | Confident | 58 Ų | 58 | 79.9 Ų | 79.9 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.1 | -47 | 177.6 | -179.4 | -130.9 | 0 | 0 | 0 | 112.5 | T4 R8 F9 L10 V35 F39 E43 | T4-Y6 PolarHBondContact O-N 3.4Å; Y6-R8 VanDerWaalsContact C-N 3.28Å; Y6-R8 PolarHBondContact O-N 3.17Å; Y6-F9 CarbonylContact O-C 3.51Å; Y6-F9 PolarHBondContact O-N 3.26Å; Y6-F9 VanDerWaalsContact O-N 3.09Å; Y6-L10 HydrophobicContact CD1-CD1 4.11Å; Y6-L10 HydrophobicContact CD2-CD2 4.49Å; Y6-L10 HydrophobicContact CD2-CG 4.18Å; Y6-L10 HydrophobicContact CE1-CD1 3.7Å; Y6-L10 HydrophobicContact CE1-CG 4.29Å; Y6-L10 HydrophobicContact CE2-CD1 4.19Å; Y6-L10 HydrophobicContact CE2-CD2 3.75Å; Y6-L10 HydrophobicContact CE2-CG 3.87Å; Y6-L10 WeakPolarHBondContact O-CG 3.42Å; Y6-L10 PolarHBondContact O-N 3.44Å; Y6-V35 HydrophobicContact CD2-CG1 4.25Å; Y6-V35 HydrophobicContact CE2-CG1 4.02Å; Y6-F39 HydrophobicContact CD2-CB 3.35Å; Y6-F39 HydrophobicContact CD2-CD1 4.02Å; Y6-F39 HydrophobicContact CD2-CD2 4.01Å; Y6-F39 AromaticContact CD2-CG 3.54Å; Y6-F39 HydrophobicContact CD2-CG 3.54Å; Y6-F39 HydrophobicContact CE2-CB 3.68Å; Y6-F39 HydrophobicContact CE2-CG 4.31Å; Y6-F39 HydrophobicContact CG-CB 4.08Å; Y6-F39 HydrophobicContact CG-CD1 4.2Å; Y6-F39 HydrophobicContact CG-CG 4.17Å; Y6-E43 VanDerWaalsContact CB-OE2 3.29Å; Y6-E43 WeakPolarHBondContact CB-OE2 3.31Å; Y6-E43 HydrophobicContact CD1-CG 4.25Å |
| 7 | R | 95 | Very high | 85.7 | Confident | 144 Ų | 144 | 80.5 Ų | 80.5 | 54% | 0.543 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.8 | -38.4 | 174.4 | -79.4 | 164.9 | -164.2 | 143.5 | -5.8 | 113 | T4 R5 F9 L10 K11 E43 | T4-R7 WeakPolarHBondContact O-CB 3.34Å; T4-R7 PolarHBondContact O-N 3.12Å; T4-R7 WeakPolarHBondContact OG1-CD 3.28Å; T4-R7 PolarHBondContact OG1-NH1 2.84Å; R5-R7 PolarHBondContact O-N 3.08Å; R7-F9 VanDerWaalsContact C-N 3.35Å; R7-L10 PolarHBondContact O-N 2.79Å; R7-K11 PolarHBondContact O-N 3.09Å; R7-E43 WeakPolarHBondContact CD-OE1 3.41Å; R7-E43 WeakPolarHBondContact CG-OE1 3.44Å; R7-E43 IonicContact CZ-OE1 3.86Å; R7-E43 IonicContact NE-OE1 3.23Å; R7-E43 PolarHBondContact NE-OE1 2.84Å; R7-E43 IonicContact NH1-OE1 2.8Å |
| 8 | R | 95.1 | Very high | 86.1 | Confident | 76 Ų | 76 | 84.5 Ų | 84.5 | 29% | 0.287 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.5 | -63.6 | 177.9 | 70.1 | -173 | 8.1 | 110.2 | A3 R5 Y6 K11 L12 Y57 | A3-R8 HydrophobicContact CB-CG 4.4Å; R5-R8 WeakPolarHBondContact O-CB 3.21Å; R5-R8 PolarHBondContact O-N 3.41Å; R5-R8 VanDerWaalsContact O-N 3.1Å; Y6-R8 VanDerWaalsContact C-N 3.28Å; Y6-R8 PolarHBondContact O-N 3.17Å; R8-K11 PolarHBondContact O-N 3.02Å; R8-L12 WeakPolarHBondContact O-CB 3.42Å; R8-L12 PolarHBondContact O-N 3.4Å; R8-Y57 HydrophobicContact CB-CD2 4.06Å; R8-Y57 HydrophobicContact CB-CE1 4.49Å; R8-Y57 HydrophobicContact CB-CE2 3.57Å; R8-Y57 VanDerWaalsContact CZ-CE1 3.43Å; R8-Y57 VanDerWaalsContact NH2-CD1 3.26Å; R8-Y57 VanDerWaalsContact O-CE2 3.31Å; R8-Y57 WeakPolarHBondContact O-CE2 3.27Å |
| 9 | F | 96.6 | Very high | 86.4 | Confident | 12 Ų | 12 | 82.2 Ų | 82.2 | 5% | 0.053 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 175.5 | -82.6 | -75.4 | 0 | 0 | 0 | 113 | R5 Y6 R7 L12 C13 V35 F39 Y57 L60 | R5-F9 WeakPolarHBondContact O-CD2 3.47Å; R5-F9 PolarHBondContact O-N 2.88Å; Y6-F9 CarbonylContact O-C 3.51Å; Y6-F9 PolarHBondContact O-N 3.26Å; Y6-F9 VanDerWaalsContact O-N 3.09Å; R7-F9 VanDerWaalsContact C-N 3.35Å; F9-L12 HydrophobicContact CD1-CD2 4.36Å; F9-L12 PolarHBondContact O-N 3.1Å; F9-C13 WeakPolarHBondContact O-CB 3.35Å; F9-C13 PolarHBondContact O-N 3.31Å; F9-C13 PolarHBondContact O-SG 2.94Å; F9-C13 VanDerWaalsContact O-SG 3.38Å; F9-V35 HydrophobicContact CB-CG1 3.95Å; F9-V35 HydrophobicContact CB-CG2 3.92Å; F9-V35 HydrophobicContact CD1-CG2 3.81Å; F9-V35 HydrophobicContact CG-CG2 4.12Å; F9-F39 AromaticContact CD2-CE2 3.58Å; F9-F39 HydrophobicContact CD2-CE2 3.58Å; F9-F39 AromaticContact CD2-CZ 3.68Å; F9-F39 HydrophobicContact CD2-CZ 3.68Å; F9-F39 AromaticContact CE2-CE2 3.97Å; F9-F39 HydrophobicContact CE2-CE2 3.97Å; F9-F39 AromaticContact CE2-CZ 3.93Å; F9-F39 HydrophobicContact CE2-CZ 3.93Å; F9-F39 HydrophobicContact CG-CE2 4.11Å; F9-Y57 HydrophobicContact CD1-CD2 4.17Å; F9-Y57 HydrophobicContact CD2-CD2 4.35Å; F9-Y57 HydrophobicContact CE1-CD2 4.13Å; F9-Y57 HydrophobicContact CE2-CD2 4.3Å; F9-Y57 HydrophobicContact CG-CD2 4.28Å; F9-Y57 HydrophobicContact CZ-CD2 4.2Å; F9-Y57 HydrophobicContact CZ-CG 4.41Å; F9-L60 HydrophobicContact CE1-CD1 4.19Å |
| 10 | L | 96.2 | Very high | 86.6 | Confident | 65 Ų | 65 | 86.3 Ų | 86.3 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.3 | -70.7 | -178.2 | 0 | 0 | 0 | 111.4 | Y6 R7 L12 C13 E14 | Y6-L10 HydrophobicContact CD1-CD1 4.11Å; Y6-L10 HydrophobicContact CD2-CD2 4.49Å; Y6-L10 HydrophobicContact CD2-CG 4.18Å; Y6-L10 HydrophobicContact CE1-CD1 3.7Å; Y6-L10 HydrophobicContact CE1-CG 4.29Å; Y6-L10 HydrophobicContact CE2-CD1 4.19Å; Y6-L10 HydrophobicContact CE2-CD2 3.75Å; Y6-L10 HydrophobicContact CE2-CG 3.87Å; Y6-L10 WeakPolarHBondContact O-CG 3.42Å; Y6-L10 PolarHBondContact O-N 3.44Å; R7-L10 PolarHBondContact O-N 2.79Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.37Å; L10-C13 CarbonylContact O-C 3.59Å; L10-C13 WeakPolarHBondContact O-CA 3.26Å; L10-C13 WeakPolarHBondContact O-CB 3.47Å; L10-C13 PolarHBondContact O-N 3.19Å; L10-E14 PolarHBondContact O-N 3Å |
| 11 | K | 96.4 | Very high | 86.7 | Confident | 119 Ų | 119 | 85.5 Ų | 85.5 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 176 | -176.3 | 175.3 | 177.5 | 178 | 0 | 112 | R7 R8 C13 E14 E15 | R7-K11 PolarHBondContact O-N 3.09Å; R8-K11 PolarHBondContact O-N 3.02Å; K11-C13 VanDerWaalsContact C-N 3.28Å; K11-C13 PolarHBondContact O-N 3.33Å; K11-E14 WeakPolarHBondContact O-CB 3.38Å; K11-E14 PolarHBondContact O-N 2.92Å; K11-E14 VanDerWaalsContact O-N 3.08Å; K11-E15 WeakPolarHBondContact CE-OE1 2.89Å; K11-E15 WeakPolarHBondContact O-CG 3.43Å; K11-E15 PolarHBondContact O-N 2.75Å |
| 12 | L | 96.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 174.6 | 178.7 | 72.2 | 0 | 0 | 0 | 111.3 | R8 F9 L10 E14 E15 W16 Y57 L60 N64 | R8-L12 WeakPolarHBondContact O-CB 3.42Å; R8-L12 PolarHBondContact O-N 3.4Å; F9-L12 HydrophobicContact CD1-CD2 4.36Å; F9-L12 PolarHBondContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.37Å; L12-E14 VanDerWaalsContact C-N 3.28Å; L12-E14 PolarHBondContact O-N 3.34Å; L12-E15 PolarHBondContact O-N 3.03Å; L12-W16 HydrophobicContact CD1-CE3 3.96Å; L12-W16 HydrophobicContact CD1-CZ3 4.26Å; L12-W16 HydrophobicContact CG-CE3 4.17Å; L12-W16 WeakPolarHBondContact O-CB 3.38Å; L12-W16 PolarHBondContact O-N 3.32Å; L12-Y57 HydrophobicContact CB-CE2 3.99Å; L12-Y57 HydrophobicContact CD2-CD2 4.17Å; L12-Y57 HydrophobicContact CD2-CE2 4.16Å; L12-L60 HydrophobicContact CD2-CB 3.64Å; L12-L60 HydrophobicContact CD2-CD1 4.07Å; L12-N64 HydrophobicContact CD1-CB 4.03Å |
| 13 | C | 96.9 | Very high | 91.2 | Very high | 12 Ų | 12 | 80.2 Ų | 80.2 | 8% | 0.081 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -26.9 | 175 | -78.7 | 0 | 0 | 0 | 0 | 113.2 | F9 L10 K11 R32 | F9-C13 WeakPolarHBondContact O-CB 3.35Å; F9-C13 PolarHBondContact O-N 3.31Å; F9-C13 PolarHBondContact O-SG 2.94Å; F9-C13 VanDerWaalsContact O-SG 3.38Å; L10-C13 CarbonylContact O-C 3.59Å; L10-C13 WeakPolarHBondContact O-CA 3.26Å; L10-C13 WeakPolarHBondContact O-CB 3.47Å; L10-C13 PolarHBondContact O-N 3.19Å; K11-C13 VanDerWaalsContact C-N 3.28Å; K11-C13 PolarHBondContact O-N 3.33Å; C13-R32 HydrophobicContact CB-CG 3.79Å; C13-R32 PolarHBondContact O-NE 3.01Å; C13-R32 VanDerWaalsContact O-NE 3.08Å; C13-R32 PolarHBondContact O-NH2 3.46Å |
| 14 | E | 96.1 | Very high | 92.5 | Very high | 156 Ų | 156 | 82.8 Ų | 82.8 | 73% | 0.729 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -71.6 | -44.4 | 172.7 | -71.2 | 168.3 | -176.9 | 0 | 0 | 110.9 | L10 K11 L12 W16 | L10-E14 PolarHBondContact O-N 3Å; K11-E14 WeakPolarHBondContact O-CB 3.38Å; K11-E14 PolarHBondContact O-N 2.92Å; K11-E14 VanDerWaalsContact O-N 3.08Å; L12-E14 VanDerWaalsContact C-N 3.28Å; L12-E14 PolarHBondContact O-N 3.34Å; E14-W16 VanDerWaalsContact C-N 3.35Å; E14-W16 PolarHBondContact O-N 3.5Å |
| 15 | E | 96.4 | Very high | 92.8 | Very high | 102 Ų | 102 | 85.6 Ų | 85.6 | 48% | 0.477 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.3 | -25.3 | -178.8 | -64.9 | 171.5 | 179.6 | 0 | 0 | 113.1 | K11 L12 P17 N64 | K11-E15 WeakPolarHBondContact CE-OE1 2.89Å; K11-E15 WeakPolarHBondContact O-CG 3.43Å; K11-E15 PolarHBondContact O-N 2.75Å; L12-E15 PolarHBondContact O-N 3.03Å; E15-P17 WeakPolarHBondContact O-CD 3.33Å; E15-N64 WeakPolarHBondContact CB-ND2 3.43Å |
| 16 | W | 96.4 | Very high | 92.9 | Very high | 20 Ų | 20 | 82.7 Ų | 82.7 | 8% | 0.076 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -75 | 119.6 | -175.1 | -157 | -70 | 0 | 0 | 0 | 112.1 | L12 E14 L27 L31 R32 L60 I63 N64 | L12-W16 HydrophobicContact CD1-CE3 3.96Å; L12-W16 HydrophobicContact CD1-CZ3 4.26Å; L12-W16 HydrophobicContact CG-CE3 4.17Å; L12-W16 WeakPolarHBondContact O-CB 3.38Å; L12-W16 PolarHBondContact O-N 3.32Å; E14-W16 VanDerWaalsContact C-N 3.35Å; E14-W16 PolarHBondContact O-N 3.5Å; W16-L27 HydrophobicContact CZ2-CD2 3.63Å; W16-L27 HydrophobicContact CZ2-CG 4.17Å; W16-L31 HydrophobicContact CD2-CD1 3.43Å; W16-L31 VanDerWaalsContact CD2-CD1 3.43Å; W16-L31 VanDerWaalsContact CE2-CD1 3.5Å; W16-L31 HydrophobicContact CE3-CD1 3.66Å; W16-L31 HydrophobicContact CG-CD1 3.95Å; W16-L31 HydrophobicContact CH2-CD1 3.99Å; W16-L31 HydrophobicContact CZ2-CD1 3.81Å; W16-L31 HydrophobicContact CZ3-CD1 3.92Å; W16-R32 PolarHBondContact O-NH1 3.17Å; W16-R32 PolarHBondContact O-NH2 2.82Å; W16-L60 HydrophobicContact CH2-CB 4.43Å; W16-L60 HydrophobicContact CH2-CD2 3.86Å; W16-L60 HydrophobicContact CZ3-CB 3.88Å; W16-L60 HydrophobicContact CZ3-CD2 4.04Å; W16-L60 VanDerWaalsContact CZ3-O 3.29Å; W16-L60 WeakPolarHBondContact CZ3-O 3.47Å; W16-I63 HydrophobicContact CH2-CB 3.96Å; W16-I63 HydrophobicContact CH2-CG2 3.68Å; W16-I63 HydrophobicContact CZ2-CG2 4.08Å; W16-N64 HydrophobicContact CE3-CB 3.84Å; W16-N64 HydrophobicContact CZ3-CB 3.86Å |
| 17 | P | 94.2 | Very high | 92.9 | Very high | 90 Ų | 90 | 84 Ų | 84 | 58% | 0.584 | 40% | 0.404 | S | S | * | . | trans | -67.1 | 151.1 | -176.5 | 28.2 | -35.3 | 0 | 0 | 0 | 112.1 | E15 | E15-P17 WeakPolarHBondContact O-CD 3.33Š| ||
| 18 | R | 92.9 | Very high | 92.9 | Very high | 152 Ų | 152 | 77.1 Ų | 77.1 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | trans | -106.3 | 134.5 | 170.4 | -66.2 | -173.1 | -171.1 | 169.4 | 7.2 | 110 | R32 | R18-R32 VanDerWaalsContact CG-NH1 3.29Å; R18-R32 VanDerWaalsContact NE-NH1 3.13Å; R18-R32 VanDerWaalsContact NH2-NE 3.15Å | ||
| 19 | D | 91.3 | Very high | 92.9 | Very high | 40 Ų | 40 | 75.7 Ų | 75.7 | 21% | 0.214 | 38% | 0.378 | C | S | . | . | trans | -98.4 | 99.9 | 173.8 | -172.4 | -12.1 | 0 | 0 | 0 | 110.1 | T21 K22 D26 | D19-T21 PolarHBondContact O-N 3.19Å; D19-T21 WeakPolarHBondContact OD1-CB 3.49Å; D19-T21 PolarHBondContact OD1-N 3.42Å; D19-T21 VanDerWaalsContact OD1-N 3.08Å; D19-T21 PolarHBondContact OD1-OG1 3.06Å; D19-K22 HydrophobicContact CB-CD 4.5Å; D19-K22 PolarHBondContact O-N 3.2Å; D19-K22 VanDerWaalsContact O-N 3.1Å; D19-K22 VanDerWaalsContact OD2-CD 3.3Å; D19-K22 WeakPolarHBondContact OD2-CD 3.29Å; D19-K22 WeakPolarHBondContact OD2-CE 3.45Å; D19-K22 IonicContact OD2-NZ 3.09Å; D19-K22 PolarHBondContact OD2-NZ 3.44Å; D19-D26 PolarHBondContact N-OD1 3.22Å | ||
| 20 | E | 89.5 | Confident | 92.9 | Very high | 165 Ų | 165 | 80.6 Ų | 80.6 | 77% | 0.771 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -64.5 | -21.6 | -179.4 | -62.3 | -171.9 | 174.4 | 0 | 0 | 113.2 | K22 K23 | E20-K22 PolarHBondContact O-N 3.1Å; E20-K23 WeakPolarHBondContact O-CG 3.21Å |
| 21 | T | 89.6 | Confident | 92.9 | Very high | 70 Ų | 70 | 78.3 Ų | 78.3 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -71.5 | -17.5 | 177.7 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | D19 G94 | D19-T21 PolarHBondContact O-N 3.19Å; D19-T21 WeakPolarHBondContact OD1-CB 3.49Å; D19-T21 PolarHBondContact OD1-N 3.42Å; D19-T21 VanDerWaalsContact OD1-N 3.08Å; D19-T21 PolarHBondContact OD1-OG1 3.06Å; T21-G94 PolarHBondContact O-N 2.98Å |
| 22 | K | 89.1 | Confident | 92.9 | Very high | 43 Ų | 43 | 75.4 Ų | 75.4 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -113.5 | 51 | -177 | -62.8 | 178.9 | -170.4 | 161.1 | 0 | 111.8 | D19 E20 A24 R25 D26 | D19-K22 HydrophobicContact CB-CD 4.5Å; D19-K22 PolarHBondContact O-N 3.2Å; D19-K22 VanDerWaalsContact O-N 3.1Å; D19-K22 VanDerWaalsContact OD2-CD 3.3Å; D19-K22 WeakPolarHBondContact OD2-CD 3.29Å; D19-K22 WeakPolarHBondContact OD2-CE 3.45Å; D19-K22 IonicContact OD2-NZ 3.09Å; D19-K22 PolarHBondContact OD2-NZ 3.44Å; E20-K22 PolarHBondContact O-N 3.1Å; K22-A24 PolarHBondContact O-N 2.9Å; K22-R25 CarbonylContact O-C 3.52Å; K22-R25 PolarHBondContact O-N 2.99Å; K22-D26 PolarHBondContact O-N 2.57Å |
| 23 | K | 82.5 | Confident | 92.9 | Very high | 178 Ų | 178 | 81.2 Ų | 81.2 | 77% | 0.774 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | 136 | 176.9 | -63.3 | -172.6 | 179.1 | 177.1 | 0 | 110.9 | E20 R25 | E20-K23 WeakPolarHBondContact O-CG 3.21Å; K23-R25 PolarHBondContact O-N 2.95Å |
| 24 | A | 82.5 | Confident | 92.8 | Very high | 109 Ų | 109 | 87.6 Ų | 87.6 | 90% | 0.901 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | -17.4 | -174 | 0 | 0 | 0 | 0 | 0 | 117.5 | K22 | K22-A24 PolarHBondContact O-N 2.9Š|
| 25 | R | 90.3 | Very high | 92.8 | Very high | 108 Ų | 108 | 80.8 Ų | 80.8 | 41% | 0.408 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -4.9 | 178.9 | -62 | -175.7 | -64.7 | 109.8 | 3.1 | 113.7 | K22 K23 L27 L92 Q97 | K22-R25 CarbonylContact O-C 3.52Å; K22-R25 PolarHBondContact O-N 2.99Å; K23-R25 PolarHBondContact O-N 2.95Å; R25-L27 PolarHBondContact O-N 2.76Å; R25-L92 PolarHBondContact NH2-O 3.32Å; R25-Q97 VanDerWaalsContact NH2-CD 3.26Å |
| 26 | D | 93.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 78.8 Ų | 78.8 | 7% | 0.07 | 39% | 0.393 | C | S | . | . | trans | -62.3 | 123.6 | 178.3 | 172.5 | 57.2 | 0 | 0 | 0 | 111.4 | D19 K22 G28 T29 F30 | D19-D26 PolarHBondContact N-OD1 3.22Å; K22-D26 PolarHBondContact O-N 2.57Å; D26-G28 VanDerWaalsContact C-N 3.29Å; D26-G28 PolarHBondContact O-N 3.01Å; D26-G28 WeakPolarHBondContact OD2-CA 3.38Å; D26-G28 PolarHBondContact OD2-N 3.38Å; D26-T29 PolarHBondContact O-N 3.18Å; D26-T29 WeakPolarHBondContact OD2-CB 3.41Å; D26-T29 PolarHBondContact OD2-N 3.26Å; D26-T29 PolarHBondContact OD2-OG1 2.76Å; D26-F30 PolarHBondContact O-N 3.36Å | ||
| 27 | L | 93.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 81.7 Ų | 81.7 | 45% | 0.445 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -36.3 | -178.8 | -179 | 58.8 | 0 | 0 | 0 | 111.5 | W16 R25 T29 F30 L31 | W16-L27 HydrophobicContact CZ2-CD2 3.63Å; W16-L27 HydrophobicContact CZ2-CG 4.17Å; R25-L27 PolarHBondContact O-N 2.76Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 2.81Å; L27-F30 HydrophobicContact CD1-CD1 4.11Å; L27-F30 PolarHBondContact O-N 3.04Å; L27-L31 HydrophobicContact CD1-CG 4.13Å; L27-L31 HydrophobicContact CG-CD1 4.18Å; L27-L31 HydrophobicContact CG-CG 4.28Å; L27-L31 WeakPolarHBondContact O-CB 3.42Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.21Å; L27-L31 PolarHBondContact O-N 2.87Å |
| 28 | G | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D26 R32 | D26-G28 VanDerWaalsContact C-N 3.29Å; D26-G28 PolarHBondContact O-N 3.01Å; D26-G28 WeakPolarHBondContact OD2-CA 3.38Å; D26-G28 PolarHBondContact OD2-N 3.38Å; G28-R32 WeakPolarHBondContact O-CG 3.37Å; G28-R32 PolarHBondContact O-N 3.37Å; G28-R32 PolarHBondContact O-NH1 2.9Å |
| 29 | T | 95.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 73 Ų | 73 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.2 | -46.7 | 175.7 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | D26 L27 L31 R32 Q33 | D26-T29 PolarHBondContact O-N 3.18Å; D26-T29 WeakPolarHBondContact OD2-CB 3.41Å; D26-T29 PolarHBondContact OD2-N 3.26Å; D26-T29 PolarHBondContact OD2-OG1 2.76Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 2.81Å; T29-L31 PolarHBondContact O-N 3.18Å; T29-R32 PolarHBondContact O-N 3.38Å; T29-Q33 WeakPolarHBondContact O-CG 3.35Å; T29-Q33 PolarHBondContact O-N 3.47Å; T29-Q33 VanDerWaalsContact O-N 3.11Å |
| 30 | F | 95.7 | Very high | 92.8 | Very high | 115 Ų | 115 | 81.9 Ų | 81.9 | 50% | 0.504 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 176.5 | 175.6 | -99 | 0 | 0 | 0 | 112.5 | D26 L27 R32 Q33 R34 | D26-F30 PolarHBondContact O-N 3.36Å; L27-F30 HydrophobicContact CD1-CD1 4.11Å; L27-F30 PolarHBondContact O-N 3.04Å; F30-R32 VanDerWaalsContact C-N 3.33Å; F30-R32 PolarHBondContact O-N 3.28Å; F30-Q33 PolarHBondContact O-N 3.08Å; F30-R34 WeakPolarHBondContact O-CB 3.5Å; F30-R34 PolarHBondContact O-N 3.34Å |
| 31 | L | 96.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 80.2 Ų | 80.2 | 9% | 0.094 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 179.1 | -74.8 | 174.6 | 0 | 0 | 0 | 111.8 | W16 L27 T29 R34 V35 L60 | W16-L31 HydrophobicContact CD2-CD1 3.43Å; W16-L31 VanDerWaalsContact CD2-CD1 3.43Å; W16-L31 VanDerWaalsContact CE2-CD1 3.5Å; W16-L31 HydrophobicContact CE3-CD1 3.66Å; W16-L31 HydrophobicContact CG-CD1 3.95Å; W16-L31 HydrophobicContact CH2-CD1 3.99Å; W16-L31 HydrophobicContact CZ2-CD1 3.81Å; W16-L31 HydrophobicContact CZ3-CD1 3.92Å; L27-L31 HydrophobicContact CD1-CG 4.13Å; L27-L31 HydrophobicContact CG-CD1 4.18Å; L27-L31 HydrophobicContact CG-CG 4.28Å; L27-L31 WeakPolarHBondContact O-CB 3.42Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.21Å; L27-L31 PolarHBondContact O-N 2.87Å; T29-L31 PolarHBondContact O-N 3.18Å; L31-R34 PolarHBondContact O-N 2.89Å; L31-V35 WeakPolarHBondContact O-CB 3.37Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.23Å; L31-V35 PolarHBondContact O-N 3.41Å; L31-L60 HydrophobicContact CD1-CD2 4.32Å; L31-L60 HydrophobicContact CD2-CD1 3.8Å; L31-L60 HydrophobicContact CD2-CD2 3.91Å |
| 32 | R | 96.7 | Very high | 93 | Very high | 57 Ų | 57 | 77.5 Ų | 77.5 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.7 | -71.4 | 174.1 | -177.5 | 92 | -8.7 | 112 | C13 W16 R18 G28 T29 F30 R34 V35 A36 | C13-R32 HydrophobicContact CB-CG 3.79Å; C13-R32 PolarHBondContact O-NE 3.01Å; C13-R32 VanDerWaalsContact O-NE 3.08Å; C13-R32 PolarHBondContact O-NH2 3.46Å; W16-R32 PolarHBondContact O-NH1 3.17Å; W16-R32 PolarHBondContact O-NH2 2.82Å; R18-R32 VanDerWaalsContact CG-NH1 3.29Å; R18-R32 VanDerWaalsContact NE-NH1 3.13Å; R18-R32 VanDerWaalsContact NH2-NE 3.15Å; G28-R32 WeakPolarHBondContact O-CG 3.37Å; G28-R32 PolarHBondContact O-N 3.37Å; G28-R32 PolarHBondContact O-NH1 2.9Å; T29-R32 PolarHBondContact O-N 3.38Å; F30-R32 VanDerWaalsContact C-N 3.33Å; F30-R32 PolarHBondContact O-N 3.28Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R32-V35 PolarHBondContact O-N 2.91Å; R32-A36 WeakPolarHBondContact O-CB 3.3Å; R32-A36 PolarHBondContact O-N 3.43Å |
| 33 | Q | 96.1 | Very high | 93 | Very high | 127 Ų | 127 | 78.7 Ų | 78.7 | 59% | 0.593 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 174.1 | -69.5 | 173.8 | -14.7 | 0 | 0 | 111.4 | T29 F30 A36 S37 | T29-Q33 WeakPolarHBondContact O-CG 3.35Å; T29-Q33 PolarHBondContact O-N 3.47Å; T29-Q33 VanDerWaalsContact O-N 3.11Å; F30-Q33 PolarHBondContact O-N 3.08Å; Q33-A36 PolarHBondContact O-N 3.3Å; Q33-S37 WeakPolarHBondContact O-CB 3.46Å; Q33-S37 PolarHBondContact O-N 3.19Å |
| 34 | R | 95.9 | Very high | 93.4 | Very high | 146 Ų | 146 | 76 Ų | 76 | 55% | 0.551 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 179.5 | -172.6 | 60.5 | 173.4 | 171.9 | 0.3 | 112 | F30 L31 R32 S37 A38 | F30-R34 WeakPolarHBondContact O-CB 3.5Å; F30-R34 PolarHBondContact O-N 3.34Å; L31-R34 PolarHBondContact O-N 2.89Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R34-S37 PolarHBondContact O-N 3.43Å; R34-A38 WeakPolarHBondContact O-CB 3.29Å; R34-A38 PolarHBondContact O-N 2.9Å |
| 35 | V | 95.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 72.1 Ų | 72.1 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 175.6 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | Y6 F9 L31 R32 S37 A38 F39 | Y6-V35 HydrophobicContact CD2-CG1 4.25Å; Y6-V35 HydrophobicContact CE2-CG1 4.02Å; F9-V35 HydrophobicContact CB-CG1 3.95Å; F9-V35 HydrophobicContact CB-CG2 3.92Å; F9-V35 HydrophobicContact CD1-CG2 3.81Å; F9-V35 HydrophobicContact CG-CG2 4.12Å; L31-V35 WeakPolarHBondContact O-CB 3.37Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.23Å; L31-V35 PolarHBondContact O-N 3.41Å; R32-V35 PolarHBondContact O-N 2.91Å; V35-S37 VanDerWaalsContact C-N 3.28Å; V35-S37 PolarHBondContact O-N 3.09Å; V35-A38 PolarHBondContact O-N 2.96Å; V35-F39 HydrophobicContact CG1-CD2 4.13Å; V35-F39 WeakPolarHBondContact O-CB 3.31Å; V35-F39 PolarHBondContact O-N 2.96Å |
| 36 | A | 95.7 | Very high | 93.8 | Very high | 61 Ų | 61 | 75 Ų | 75 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | R32 Q33 | R32-A36 WeakPolarHBondContact O-CB 3.3Å; R32-A36 PolarHBondContact O-N 3.43Å; Q33-A36 PolarHBondContact O-N 3.3Å |
| 37 | S | 95.2 | Very high | 93.5 | Very high | 81 Ų | 81 | 76.8 Ų | 76.8 | 57% | 0.566 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -71.9 | -42.2 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 112.9 | Q33 R34 V35 | Q33-S37 WeakPolarHBondContact O-CB 3.46Å; Q33-S37 PolarHBondContact O-N 3.19Å; R34-S37 PolarHBondContact O-N 3.43Å; V35-S37 VanDerWaalsContact C-N 3.28Å; V35-S37 PolarHBondContact O-N 3.09Å |
| 38 | A | 93.4 | Very high | 93.3 | Very high | 45 Ų | 45 | 78.2 Ų | 78.2 | 37% | 0.372 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74.6 | -34.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R34 V35 T45 | R34-A38 WeakPolarHBondContact O-CB 3.29Å; R34-A38 PolarHBondContact O-N 2.9Å; V35-A38 PolarHBondContact O-N 2.96Å; A38-T45 VanDerWaalsContact O-CG2 3.26Å; A38-T45 WeakPolarHBondContact O-CG2 3.49Å |
| 39 | F | 94.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 81.8 Ų | 81.8 | 6% | 0.057 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 50.2 | 179 | -65.1 | -88.3 | 0 | 0 | 0 | 111.2 | R5 Y6 F9 V35 E41 G42 T45 L47 | R5-F39 HydrophobicContact CB-CE1 4.24Å; R5-F39 HydrophobicContact CB-CZ 4.27Å; Y6-F39 HydrophobicContact CD2-CB 3.35Å; Y6-F39 HydrophobicContact CD2-CD1 4.02Å; Y6-F39 HydrophobicContact CD2-CD2 4.01Å; Y6-F39 AromaticContact CD2-CG 3.54Å; Y6-F39 HydrophobicContact CD2-CG 3.54Å; Y6-F39 HydrophobicContact CE2-CB 3.68Å; Y6-F39 HydrophobicContact CE2-CG 4.31Å; Y6-F39 HydrophobicContact CG-CB 4.08Å; Y6-F39 HydrophobicContact CG-CD1 4.2Å; Y6-F39 HydrophobicContact CG-CG 4.17Å; F9-F39 AromaticContact CD2-CE2 3.58Å; F9-F39 HydrophobicContact CD2-CE2 3.58Å; F9-F39 AromaticContact CD2-CZ 3.68Å; F9-F39 HydrophobicContact CD2-CZ 3.68Å; F9-F39 AromaticContact CE2-CE2 3.97Å; F9-F39 HydrophobicContact CE2-CE2 3.97Å; F9-F39 AromaticContact CE2-CZ 3.93Å; F9-F39 HydrophobicContact CE2-CZ 3.93Å; F9-F39 HydrophobicContact CG-CE2 4.11Å; V35-F39 HydrophobicContact CG1-CD2 4.13Å; V35-F39 WeakPolarHBondContact O-CB 3.31Å; V35-F39 PolarHBondContact O-N 2.96Å; F39-E41 PolarHBondContact O-N 3.35Å; F39-G42 WeakPolarHBondContact O-CA 3.45Å; F39-G42 PolarHBondContact O-N 2.83Å; F39-T45 WeakPolarHBondContact CA-OG1 3.38Å; F39-L47 HydrophobicContact CE1-CD1 4.27Å; F39-L47 HydrophobicContact CE1-CD2 4.11Å; F39-L47 HydrophobicContact CZ-CD2 4.39Å |
| 40 | R | 92.1 | Very high | 93.1 | Very high | 227 Ų | 227 | 81.6 Ų | 81.6 | 86% | 0.857 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -31.1 | -176.5 | -172.4 | 176.2 | 179.7 | 170.7 | 0.1 | 112.9 | G42 | R40-G42 VanDerWaalsContact C-N 3.34Š|
| 41 | E | 92.5 | Very high | 93 | Very high | 131 Ų | 131 | 82.4 Ų | 82.4 | 61% | 0.612 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 14.1 | 177 | -60.3 | 177.4 | -180 | 0 | 0 | 112.1 | F39 E43 N44 T45 | F39-E41 PolarHBondContact O-N 3.35Å; E41-E43 PolarHBondContact O-N 2.86Å; E41-N44 HydrophobicContact CB-CB 4.36Å; E41-N44 PolarHBondContact O-N 3.25Å; E41-T45 PolarHBondContact N-OG1 3.35Å |
| 42 | G | 90.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 87.5 Ų | 87.5 | 13% | 0.134 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | 57.2 | -123 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F39 R40 N44 T45 | F39-G42 WeakPolarHBondContact O-CA 3.45Å; F39-G42 PolarHBondContact O-N 2.83Å; R40-G42 VanDerWaalsContact C-N 3.34Å; G42-N44 VanDerWaalsContact C-N 3.27Å; G42-N44 PolarHBondContact O-N 2.98Å; G42-T45 PolarHBondContact N-OG1 3.28Å; G42-T45 WeakPolarHBondContact O-CB 3.38Å; G42-T45 PolarHBondContact O-N 3.38Å; G42-T45 PolarHBondContact O-OG1 2.85Å |
| 43 | E | 90 | Very high | 92.8 | Very high | 68 Ų | 68 | 85.5 Ų | 85.5 | 32% | 0.318 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -69.7 | -21.4 | -177.9 | -56.8 | -64.3 | -165 | 0 | 0 | 114.7 | T4 Y6 R7 E41 T45 | T4-E43 WeakPolarHBondContact CB-OE1 3.27Å; T4-E43 WeakPolarHBondContact CB-OE2 3.37Å; T4-E43 PolarHBondContact OG1-OE1 3.45Å; T4-E43 PolarHBondContact OG1-OE2 3.39Å; Y6-E43 VanDerWaalsContact CB-OE2 3.29Å; Y6-E43 WeakPolarHBondContact CB-OE2 3.31Å; Y6-E43 HydrophobicContact CD1-CG 4.25Å; R7-E43 WeakPolarHBondContact CD-OE1 3.41Å; R7-E43 WeakPolarHBondContact CG-OE1 3.44Å; R7-E43 IonicContact CZ-OE1 3.86Å; R7-E43 IonicContact NE-OE1 3.23Å; R7-E43 PolarHBondContact NE-OE1 2.84Å; R7-E43 IonicContact NH1-OE1 2.8Å; E41-E43 PolarHBondContact O-N 2.86Å; E43-T45 VanDerWaalsContact C-N 3.28Å |
| 44 | N | 89.3 | Confident | 92.8 | Very high | 121 Ų | 121 | 81.2 Ų | 81.2 | 65% | 0.647 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -84.3 | -8.1 | -178.6 | -62.8 | -36.9 | 0 | 0 | 0 | 112.7 | E41 G42 Q46 | E41-N44 HydrophobicContact CB-CB 4.36Å; E41-N44 PolarHBondContact O-N 3.25Å; G42-N44 VanDerWaalsContact C-N 3.27Å; G42-N44 PolarHBondContact O-N 2.98Å; N44-Q46 PolarHBondContact O-N 2.87Å; N44-Q46 PolarHBondContact O-NE2 2.95Å |
| 45 | T | 91.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 80.1 Ų | 80.1 | 17% | 0.166 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 120.3 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | A38 F39 E41 G42 E43 L47 | A38-T45 VanDerWaalsContact O-CG2 3.26Å; A38-T45 WeakPolarHBondContact O-CG2 3.49Å; F39-T45 WeakPolarHBondContact CA-OG1 3.38Å; E41-T45 PolarHBondContact N-OG1 3.35Å; G42-T45 PolarHBondContact N-OG1 3.28Å; G42-T45 WeakPolarHBondContact O-CB 3.38Å; G42-T45 PolarHBondContact O-N 3.38Å; G42-T45 PolarHBondContact O-OG1 2.85Å; E43-T45 VanDerWaalsContact C-N 3.28Å; T45-L47 HydrophobicContact CG2-CD2 4.25Å; T45-L47 PolarHBondContact O-N 3.41Å |
| 46 | Q | 90 | Very high | 92.8 | Very high | 170 Ų | 170 | 84.1 Ų | 84.1 | 79% | 0.794 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 116.3 | 173.8 | -59.1 | -57 | -47.3 | 0 | 0 | 110.1 | N44 | N44-Q46 PolarHBondContact O-N 2.87Å; N44-Q46 PolarHBondContact O-NE2 2.95Å |
| 47 | L | 88.2 | Confident | 92.9 | Very high | 50 Ų | 50 | 82.8 Ų | 82.8 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 124.8 | 178.5 | -61.4 | 176.2 | 0 | 0 | 0 | 109.8 | F39 T45 D49 P50 C53 | F39-L47 HydrophobicContact CE1-CD1 4.27Å; F39-L47 HydrophobicContact CE1-CD2 4.11Å; F39-L47 HydrophobicContact CZ-CD2 4.39Å; T45-L47 HydrophobicContact CG2-CD2 4.25Å; T45-L47 PolarHBondContact O-N 3.41Å; L47-D49 VanDerWaalsContact C-N 3.26Å; L47-D49 PolarHBondContact O-N 3.43Å; L47-P50 HydrophobicContact CB-CG 4.4Å; L47-C53 HydrophobicContact CD1-CB 3.96Å |
| 48 | A | 89.5 | Confident | 93 | Very high | 115 Ų | 115 | 83.9 Ų | 83.9 | 95% | 0.95 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -63.9 | -32.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 49 | D | 93.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 84 Ų | 84 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | trans | -139.1 | 92.1 | 179.4 | -176.1 | -19.2 | 0 | 0 | 0 | 109.4 | L47 E51 K52 C53 | L47-D49 VanDerWaalsContact C-N 3.26Å; L47-D49 PolarHBondContact O-N 3.43Å; D49-E51 PolarHBondContact OD1-N 3.48Å; D49-K52 HydrophobicContact CB-CB 4.13Å; D49-K52 VanDerWaalsContact OD1-CB 3.27Å; D49-K52 WeakPolarHBondContact OD1-CB 3.41Å; D49-K52 PolarHBondContact OD1-N 3.48Å; D49-K52 WeakPolarHBondContact OD2-CB 3.42Å; D49-C53 PolarHBondContact O-N 3.06Å | ||
| 50 | P | 91.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 84.8 Ų | 84.8 | 27% | 0.266 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | -179.1 | -21.2 | 33.7 | 0 | 0 | 0 | 113.4 | L47 C53 D54 | L47-P50 HydrophobicContact CB-CG 4.4Å; P50-C53 WeakPolarHBondContact O-CB 3.04Å; P50-C53 PolarHBondContact O-N 3.13Å; P50-D54 PolarHBondContact O-N 3.02Å |
| 51 | E | 93.9 | Very high | 93.5 | Very high | 133 Ų | 133 | 75.6 Ų | 75.6 | 62% | 0.621 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | -178.8 | -69.9 | 98.8 | -163.6 | 0 | 0 | 111.5 | D49 C53 D54 Q55 | D49-E51 PolarHBondContact OD1-N 3.48Å; E51-C53 VanDerWaalsContact C-N 3.27Å; E51-C53 PolarHBondContact O-N 3.05Å; E51-D54 PolarHBondContact O-N 3.33Å; E51-Q55 WeakPolarHBondContact O-CG 3.32Å; E51-Q55 PolarHBondContact O-N 3.08Å |
| 52 | K | 94.7 | Very high | 93.8 | Very high | 124 Ų | 124 | 73.8 Ų | 73.8 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 175.5 | -175 | 175.8 | -176 | 174.5 | 0 | 111.9 | D49 D54 Q55 M56 | D49-K52 HydrophobicContact CB-CB 4.13Å; D49-K52 VanDerWaalsContact OD1-CB 3.27Å; D49-K52 WeakPolarHBondContact OD1-CB 3.41Å; D49-K52 PolarHBondContact OD1-N 3.48Å; D49-K52 WeakPolarHBondContact OD2-CB 3.42Å; K52-D54 VanDerWaalsContact C-N 3.34Å; K52-Q55 PolarHBondContact O-N 2.91Å; K52-M56 WeakPolarHBondContact O-CB 3.49Å; K52-M56 VanDerWaalsContact O-CG 3.28Å; K52-M56 WeakPolarHBondContact O-CG 3.46Å; K52-M56 PolarHBondContact O-N 3.07Å |
| 53 | C | 94.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 78 Ų | 78 | 11% | 0.108 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.1 | -169 | 0 | 0 | 0 | 0 | 111.3 | L47 D49 P50 E51 M56 Y57 | L47-C53 HydrophobicContact CD1-CB 3.96Å; D49-C53 PolarHBondContact O-N 3.06Å; P50-C53 WeakPolarHBondContact O-CB 3.04Å; P50-C53 PolarHBondContact O-N 3.13Å; E51-C53 VanDerWaalsContact C-N 3.27Å; E51-C53 PolarHBondContact O-N 3.05Å; C53-M56 PolarHBondContact O-N 3.41Å; C53-Y57 PolarHBondContact O-N 3.06Å |
| 54 | D | 95.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 76.4 Ų | 76.4 | 19% | 0.193 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 177.1 | -69.4 | -32.7 | 0 | 0 | 0 | 111.7 | R5 P50 E51 K52 M56 Y57 E58 | R5-D54 WeakPolarHBondContact CD-OD1 3.37Å; R5-D54 IonicContact CZ-OD1 3.22Å; R5-D54 IonicContact CZ-OD2 2.84Å; R5-D54 VanDerWaalsContact NE-CG 3.28Å; R5-D54 IonicContact NE-OD1 2.76Å; R5-D54 PolarHBondContact NE-OD1 2.92Å; R5-D54 IonicContact NE-OD2 3.88Å; R5-D54 PolarHBondContact NE-OD2 3.34Å; R5-D54 VanDerWaalsContact NE-OD2 3.09Å; R5-D54 IonicContact NH2-OD1 3.85Å; R5-D54 IonicContact NH2-OD2 3.53Å; R5-D54 PolarHBondContact NH2-OD2 3.43Å; P50-D54 PolarHBondContact O-N 3.02Å; E51-D54 PolarHBondContact O-N 3.33Å; K52-D54 VanDerWaalsContact C-N 3.34Å; D54-M56 VanDerWaalsContact C-N 3.34Å; D54-M56 PolarHBondContact O-N 3.24Å; D54-Y57 WeakPolarHBondContact O-CB 3.35Å; D54-Y57 PolarHBondContact O-N 3.36Å; D54-E58 WeakPolarHBondContact O-CG 3.39Å; D54-E58 PolarHBondContact O-N 2.86Å |
| 55 | Q | 96.8 | Very high | 94.7 | Very high | 123 Ų | 123 | 72.4 Ų | 72.4 | 58% | 0.575 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 175.3 | -71.2 | 174.4 | 12.3 | 0 | 0 | 112.8 | E51 K52 E58 S59 | E51-Q55 WeakPolarHBondContact O-CG 3.32Å; E51-Q55 PolarHBondContact O-N 3.08Å; K52-Q55 PolarHBondContact O-N 2.91Å; Q55-E58 PolarHBondContact O-N 3.43Å; Q55-S59 WeakPolarHBondContact O-CB 3.46Å; Q55-S59 PolarHBondContact O-N 3.4Å; Q55-S59 PolarHBondContact O-OG 3.28Å |
| 56 | M | 95.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 74.9 Ų | 74.9 | 48% | 0.478 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.4 | -76.2 | 174.9 | 60.5 | 0 | 0 | 110.7 | K52 C53 D54 S59 L60 | K52-M56 WeakPolarHBondContact O-CB 3.49Å; K52-M56 VanDerWaalsContact O-CG 3.28Å; K52-M56 WeakPolarHBondContact O-CG 3.46Å; K52-M56 PolarHBondContact O-N 3.07Å; C53-M56 PolarHBondContact O-N 3.41Å; D54-M56 VanDerWaalsContact C-N 3.34Å; D54-M56 PolarHBondContact O-N 3.24Å; M56-S59 PolarHBondContact O-N 3.29Å; M56-L60 WeakPolarHBondContact O-CG 3.43Å; M56-L60 PolarHBondContact O-N 3.37Å |
| 57 | Y | 96.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 69.5 Ų | 69.5 | 13% | 0.129 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.2 | -51.2 | 176.5 | 175.4 | -92.3 | 0 | 0 | 0 | 111.6 | R8 F9 L12 C53 D54 S59 L60 A61 | R8-Y57 HydrophobicContact CB-CD2 4.06Å; R8-Y57 HydrophobicContact CB-CE1 4.49Å; R8-Y57 HydrophobicContact CB-CE2 3.57Å; R8-Y57 VanDerWaalsContact CZ-CE1 3.43Å; R8-Y57 VanDerWaalsContact NH2-CD1 3.26Å; R8-Y57 VanDerWaalsContact O-CE2 3.31Å; R8-Y57 WeakPolarHBondContact O-CE2 3.27Å; F9-Y57 HydrophobicContact CD1-CD2 4.17Å; F9-Y57 HydrophobicContact CD2-CD2 4.35Å; F9-Y57 HydrophobicContact CE1-CD2 4.13Å; F9-Y57 HydrophobicContact CE2-CD2 4.3Å; F9-Y57 HydrophobicContact CG-CD2 4.28Å; F9-Y57 HydrophobicContact CZ-CD2 4.2Å; F9-Y57 HydrophobicContact CZ-CG 4.41Å; L12-Y57 HydrophobicContact CB-CE2 3.99Å; L12-Y57 HydrophobicContact CD2-CD2 4.17Å; L12-Y57 HydrophobicContact CD2-CE2 4.16Å; C53-Y57 PolarHBondContact O-N 3.06Å; D54-Y57 WeakPolarHBondContact O-CB 3.35Å; D54-Y57 PolarHBondContact O-N 3.36Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 3.11Å; Y57-L60 PolarHBondContact O-N 3.39Å; Y57-A61 HydrophobicContact CE1-CB 4.1Å; Y57-A61 WeakPolarHBondContact O-CB 3.44Å; Y57-A61 PolarHBondContact O-N 3.07Å |
| 58 | E | 97.4 | Very high | 95.6 | Very high | 105 Ų | 105 | 72 Ų | 72 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -36.8 | -178.3 | -72.9 | -178.8 | 176.3 | 0 | 0 | 112.4 | D54 Q55 R62 | D54-E58 WeakPolarHBondContact O-CG 3.39Å; D54-E58 PolarHBondContact O-N 2.86Å; Q55-E58 PolarHBondContact O-N 3.43Å; E58-R62 WeakPolarHBondContact O-CB 3.44Å; E58-R62 VanDerWaalsContact O-CG 3.3Å; E58-R62 WeakPolarHBondContact O-CG 3.3Å; E58-R62 PolarHBondContact O-N 3.34Å; E58-R62 PolarHBondContact O-NE 3.44Å |
| 59 | S | 97.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 73.3 Ų | 73.3 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 176.6 | -60 | 0 | 0 | 0 | 0 | 111.6 | Q55 M56 Y57 R62 I63 | Q55-S59 WeakPolarHBondContact O-CB 3.46Å; Q55-S59 PolarHBondContact O-N 3.4Å; Q55-S59 PolarHBondContact O-OG 3.28Å; M56-S59 PolarHBondContact O-N 3.29Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 3.11Å; S59-R62 PolarHBondContact O-N 3.5Å; S59-R62 PolarHBondContact OG-NH2 2.8Å; S59-R62 VanDerWaalsContact OG-NH2 3.1Å; S59-I63 WeakPolarHBondContact O-CG1 3.36Å; S59-I63 PolarHBondContact O-N 3.49Å |
| 60 | L | 97.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 15% | 0.152 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 175.7 | -67.8 | 171.1 | 0 | 0 | 0 | 111.7 | F9 L12 W16 L31 M56 Y57 R62 I63 N64 | F9-L60 HydrophobicContact CE1-CD1 4.19Å; L12-L60 HydrophobicContact CD2-CB 3.64Å; L12-L60 HydrophobicContact CD2-CD1 4.07Å; W16-L60 HydrophobicContact CH2-CB 4.43Å; W16-L60 HydrophobicContact CH2-CD2 3.86Å; W16-L60 HydrophobicContact CZ3-CB 3.88Å; W16-L60 HydrophobicContact CZ3-CD2 4.04Å; W16-L60 VanDerWaalsContact CZ3-O 3.29Å; W16-L60 WeakPolarHBondContact CZ3-O 3.47Å; L31-L60 HydrophobicContact CD1-CD2 4.32Å; L31-L60 HydrophobicContact CD2-CD1 3.8Å; L31-L60 HydrophobicContact CD2-CD2 3.91Å; M56-L60 WeakPolarHBondContact O-CG 3.43Å; M56-L60 PolarHBondContact O-N 3.37Å; Y57-L60 PolarHBondContact O-N 3.39Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 2.76Å; L60-I63 WeakPolarHBondContact O-CB 3.49Å; L60-I63 PolarHBondContact O-N 3.03Å; L60-I63 VanDerWaalsContact O-N 3.08Å; L60-N64 PolarHBondContact O-N 3.28Å |
| 61 | A | 96.9 | Very high | 96 | Very high | 33 Ų | 33 | 82.7 Ų | 82.7 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y57 I63 N64 G65 | Y57-A61 HydrophobicContact CE1-CB 4.1Å; Y57-A61 WeakPolarHBondContact O-CB 3.44Å; Y57-A61 PolarHBondContact O-N 3.07Å; A61-I63 VanDerWaalsContact C-N 3.34Å; A61-I63 PolarHBondContact O-N 3.35Å; A61-N64 PolarHBondContact O-N 3.4Å; A61-G65 PolarHBondContact O-N 3.01Å |
| 62 | R | 97.7 | Very high | 96 | Very high | 94 Ų | 94 | 82.3 Ų | 82.3 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 174.2 | -77.3 | -177.8 | -67.4 | 172.9 | -4.9 | 113 | E58 S59 L60 N66 V67 Y68 | E58-R62 WeakPolarHBondContact O-CB 3.44Å; E58-R62 VanDerWaalsContact O-CG 3.3Å; E58-R62 WeakPolarHBondContact O-CG 3.3Å; E58-R62 PolarHBondContact O-N 3.34Å; E58-R62 PolarHBondContact O-NE 3.44Å; S59-R62 PolarHBondContact O-N 3.5Å; S59-R62 PolarHBondContact OG-NH2 2.8Å; S59-R62 VanDerWaalsContact OG-NH2 3.1Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 2.76Å; R62-N66 PolarHBondContact O-N 2.78Å; R62-V67 HydrophobicContact CB-CB 4.25Å; R62-V67 HydrophobicContact CB-CG2 4.16Å; R62-V67 HydrophobicContact CG-CB 4.37Å; R62-V67 HydrophobicContact CG-CG2 4.12Å; R62-V67 PolarHBondContact O-N 2.86Å; R62-Y68 PolarHBondContact NH1-OH 3.35Å |
| 63 | I | 96.8 | Very high | 95.9 | Very high | 100 Ų | 100 | 81.7 Ų | 81.7 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.8 | -51.8 | 175.8 | -66.9 | 165.8 | 0 | 0 | 0 | 109.7 | W16 S59 L60 A61 G65 N66 | W16-I63 HydrophobicContact CH2-CB 3.96Å; W16-I63 HydrophobicContact CH2-CG2 3.68Å; W16-I63 HydrophobicContact CZ2-CG2 4.08Å; S59-I63 WeakPolarHBondContact O-CG1 3.36Å; S59-I63 PolarHBondContact O-N 3.49Å; L60-I63 WeakPolarHBondContact O-CB 3.49Å; L60-I63 PolarHBondContact O-N 3.03Å; L60-I63 VanDerWaalsContact O-N 3.08Å; A61-I63 VanDerWaalsContact C-N 3.34Å; A61-I63 PolarHBondContact O-N 3.35Å; I63-G65 VanDerWaalsContact C-N 3.3Å; I63-G65 PolarHBondContact O-N 3.27Å; I63-N66 PolarHBondContact O-N 3.5Å |
| 64 | N | 96.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 88.4 Ų | 88.4 | 19% | 0.193 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | -178.9 | -164.1 | 49.2 | 0 | 0 | 0 | 112 | L12 E15 W16 L60 A61 N66 | L12-N64 HydrophobicContact CD1-CB 4.03Å; E15-N64 WeakPolarHBondContact CB-ND2 3.43Å; W16-N64 HydrophobicContact CE3-CB 3.84Å; W16-N64 HydrophobicContact CZ3-CB 3.86Å; L60-N64 PolarHBondContact O-N 3.28Å; A61-N64 PolarHBondContact O-N 3.4Å; N64-N66 PolarHBondContact O-N 2.81Å |
| 65 | G | 96.2 | Very high | 95.6 | Very high | 37 Ų | 37 | 93.8 Ų | 93.8 | 38% | 0.381 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 2 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | A61 I63 V67 Q70 | A61-G65 PolarHBondContact O-N 3.01Å; I63-G65 VanDerWaalsContact C-N 3.3Å; I63-G65 PolarHBondContact O-N 3.27Å; G65-V67 PolarHBondContact O-N 2.63Å; G65-V67 VanDerWaalsContact O-N 3.13Å; G65-Q70 PolarHBondContact O-NE2 3.31Å |
| 66 | N | 95.3 | Very high | 95.3 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 42% | 0.422 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30.7 | -178 | -72.2 | -67.3 | 0 | 0 | 0 | 114 | R62 I63 N64 Y68 R69 Q70 | R62-N66 PolarHBondContact O-N 2.78Å; I63-N66 PolarHBondContact O-N 3.5Å; N64-N66 PolarHBondContact O-N 2.81Å; N66-Y68 VanDerWaalsContact C-N 3.29Å; N66-Y68 PolarHBondContact O-N 3.22Å; N66-R69 HydrophobicContact CB-CB 4.25Å; N66-R69 WeakPolarHBondContact O-CB 3.48Å; N66-R69 PolarHBondContact O-N 2.89Å; N66-Q70 PolarHBondContact O-N 2.77Å; N66-Q70 VanDerWaalsContact O-N 3.07Å |
| 67 | V | 97.3 | Very high | 95 | Very high | 56 Ų | 56 | 96 Ų | 96 | 34% | 0.339 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -54.3 | -44.9 | -170.3 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | R62 G65 Q70 R71 | R62-V67 HydrophobicContact CB-CB 4.25Å; R62-V67 HydrophobicContact CB-CG2 4.16Å; R62-V67 HydrophobicContact CG-CB 4.37Å; R62-V67 HydrophobicContact CG-CG2 4.12Å; R62-V67 PolarHBondContact O-N 2.86Å; G65-V67 PolarHBondContact O-N 2.63Å; G65-V67 VanDerWaalsContact O-N 3.13Å; V67-Q70 PolarHBondContact O-N 3.08Å; V67-R71 VanDerWaalsContact O-CB 3.23Å; V67-R71 WeakPolarHBondContact O-CB 3.43Å; V67-R71 PolarHBondContact O-N 2.92Å |
| 68 | Y | 94.9 | Very high | 94.9 | Very high | 104 Ų | 104 | 96.7 Ų | 96.7 | 41% | 0.408 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -77.2 | -29.1 | -177.8 | -67.4 | -62.8 | 0 | 0 | 0 | 113.9 | R62 N66 Q70 F72 | R62-Y68 PolarHBondContact NH1-OH 3.35Å; N66-Y68 VanDerWaalsContact C-N 3.29Å; N66-Y68 PolarHBondContact O-N 3.22Å; Y68-Q70 VanDerWaalsContact C-N 3.3Å; Y68-F72 HydrophobicContact CD1-CD2 4.14Å; Y68-F72 AromaticContact CD1-CE2 3.75Å; Y68-F72 HydrophobicContact CD1-CE2 3.75Å; Y68-F72 HydrophobicContact CE1-CE2 4.34Å; Y68-F72 PolarHBondContact O-N 3.39Å |
| 69 | R | 92.3 | Very high | 94.6 | Very high | 141 Ų | 141 | 93.8 Ų | 93.8 | 53% | 0.532 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 172.8 | -174.9 | -179.3 | -176 | -163.2 | 2.5 | 110.7 | N66 D77 | N66-R69 HydrophobicContact CB-CB 4.25Å; N66-R69 WeakPolarHBondContact O-CB 3.48Å; N66-R69 PolarHBondContact O-N 2.89Å; R69-D77 IonicContact CZ-OD2 3.38Å; R69-D77 IonicContact NH2-OD2 2.79Å; R69-D77 PolarHBondContact NH2-OD2 2.77Å |
| 70 | Q | 94.6 | Very high | 94.1 | Very high | 141 Ų | 141 | 101.8 Ų | 101.8 | 66% | 0.659 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.9 | -41 | 178.1 | -65.2 | 173.8 | 11.1 | 0 | 0 | 112 | G65 N66 V67 Y68 F72 | G65-Q70 PolarHBondContact O-NE2 3.31Å; N66-Q70 PolarHBondContact O-N 2.77Å; N66-Q70 VanDerWaalsContact O-N 3.07Å; V67-Q70 PolarHBondContact O-N 3.08Å; Y68-Q70 VanDerWaalsContact C-N 3.3Å; Q70-F72 VanDerWaalsContact C-N 3.3Å; Q70-F72 PolarHBondContact O-N 3.24Å |
| 71 | R | 97.1 | Very high | 93.9 | Very high | 171 Ų | 171 | 105.6 Ų | 105.6 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.1 | -31.1 | 179.9 | -173.6 | 173.7 | -179.1 | 176.3 | 0.6 | 112.9 | V67 | V67-R71 VanDerWaalsContact O-CB 3.23Å; V67-R71 WeakPolarHBondContact O-CB 3.43Å; V67-R71 PolarHBondContact O-N 2.92Å |
| 72 | F | 94.3 | Very high | 93.7 | Very high | 125 Ų | 125 | 106.2 Ų | 106.2 | 55% | 0.548 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -126.4 | 77.5 | -178.4 | -54.6 | -66.2 | 0 | 0 | 0 | 110.5 | Y68 Q70 R74 | Y68-F72 HydrophobicContact CD1-CD2 4.14Å; Y68-F72 AromaticContact CD1-CE2 3.75Å; Y68-F72 HydrophobicContact CD1-CE2 3.75Å; Y68-F72 HydrophobicContact CE1-CE2 4.34Å; Y68-F72 PolarHBondContact O-N 3.39Å; Q70-F72 VanDerWaalsContact C-N 3.3Å; Q70-F72 PolarHBondContact O-N 3.24Å; F72-R74 PolarHBondContact O-N 2.87Å |
| 73 | P | 92.6 | Very high | 93.6 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 72% | 0.721 | 52% | 0.517 | S | S | * | . | trans | -58.4 | 137.8 | 179.1 | -23.1 | 34 | 0 | 0 | 0 | 111.5 | ||||
| 74 | R | 90.4 | Very high | 93.5 | Very high | 157 Ų | 157 | 100.7 Ų | 100.7 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | trans | -104.4 | 146.2 | 178.8 | -59.8 | -170 | -62.1 | -156.8 | 0.7 | 110.4 | F72 R76 D77 | F72-R74 PolarHBondContact O-N 2.87Å; R74-R76 VanDerWaalsContact C-N 3.28Å; R74-R76 WeakPolarHBondContact CB-O 3.43Å; R74-R76 PolarHBondContact O-N 2.97Å; R74-D77 IonicContact CZ-OD1 3.95Å; R74-D77 IonicContact NH2-OD1 2.93Å; R74-D77 PolarHBondContact NH2-OD1 2.99Å | ||
| 75 | V | 92.2 | Very high | 93.2 | Very high | 150 Ų | 150 | 101.5 Ų | 101.5 | 91% | 0.909 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -68 | -31.5 | 174.5 | -177 | 0 | 0 | 0 | 0 | 111.5 | ||
| 76 | R | 91.1 | Very high | 93 | Very high | 193 Ų | 193 | 105 Ų | 105 | 73% | 0.728 | 52% | 0.519 | S | S | * | . | trans | -129.5 | 145.4 | 180 | -62.3 | -177.6 | -177.9 | 141.2 | 0.3 | 110.1 | R74 T78 | R74-R76 VanDerWaalsContact C-N 3.28Å; R74-R76 WeakPolarHBondContact CB-O 3.43Å; R74-R76 PolarHBondContact O-N 2.97Å; R76-T78 VanDerWaalsContact C-N 3.31Å; R76-T78 PolarHBondContact O-N 3.35Å | ||
| 77 | D | 90.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 106 Ų | 106 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | trans | -99.8 | 51.7 | 173.9 | -146.8 | 9.8 | 0 | 0 | 0 | 111.6 | R69 R74 | R69-D77 IonicContact CZ-OD2 3.38Å; R69-D77 IonicContact NH2-OD2 2.79Å; R69-D77 PolarHBondContact NH2-OD2 2.77Å; R74-D77 IonicContact CZ-OD1 3.95Å; R74-D77 IonicContact NH2-OD1 2.93Å; R74-D77 PolarHBondContact NH2-OD1 2.99Å | ||
| 78 | T | 93.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 105.3 Ų | 105.3 | 29% | 0.288 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -118.4 | 155.2 | 175.3 | 58 | 0 | 0 | 0 | 0 | 109.9 | R76 V83 T84 | R76-T78 VanDerWaalsContact C-N 3.31Å; R76-T78 PolarHBondContact O-N 3.35Å; T78-V83 CarbonylContact C-O 3.57Å; T78-V83 WeakPolarHBondContact CA-O 3.21Å; T78-T84 HydrophobicContact CG2-CG2 4.37Å |
| 79 | S | 90.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 106.5 Ų | 106.5 | 31% | 0.308 | 52% | 0.522 | S | S | . | . | trans | -68 | 174.9 | 168 | 79.7 | 0 | 0 | 0 | 0 | 110.9 | T81 G82 V83 | S79-T81 PolarHBondContact O-N 3.29Å; S79-T81 PolarHBondContact OG-N 3.44Å; S79-T81 PolarHBondContact OG-OG1 3.46Å; S79-G82 PolarHBondContact O-N 2.98Å; S79-V83 PolarHBondContact N-O 3.43Å; S79-V83 PolarHBondContact OG-N 2.76Å; S79-V83 PolarHBondContact OG-O 2.9Å | ||
| 80 | F | 88.4 | Confident | 92.5 | Very high | 215 Ų | 215 | 104.1 Ų | 104.1 | 94% | 0.943 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.8 | 173.3 | 174.2 | -104.6 | 0 | 0 | 0 | 112.8 | G82 | F80-G82 PolarHBondContact O-N 3.42Š|
| 81 | T | 92.7 | Very high | 92.3 | Very high | 109 Ų | 109 | 102.1 Ų | 102.1 | 67% | 0.669 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 6.8 | 177.9 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | S79 V83 | S79-T81 PolarHBondContact O-N 3.29Å; S79-T81 PolarHBondContact OG-N 3.44Å; S79-T81 PolarHBondContact OG-OG1 3.46Å; T81-V83 VanDerWaalsContact C-N 3.26Å; T81-V83 PolarHBondContact O-N 3.39Å; T81-V83 VanDerWaalsContact OG1-CG2 3.3Å; T81-V83 WeakPolarHBondContact OG1-CG2 3.42Å |
| 82 | G | 93.4 | Very high | 91.9 | Very high | 47 Ų | 47 | 97.9 Ų | 97.9 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | S | Bend | trans | 79.4 | 3.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S79 F80 | S79-G82 PolarHBondContact O-N 2.98Å; F80-G82 PolarHBondContact O-N 3.42Å |
| 83 | V | 94.9 | Very high | 91.9 | Very high | 30 Ų | 30 | 92.5 Ų | 92.5 | 18% | 0.182 | 48% | 0.484 | C | S | . | . | trans | -83.9 | 135.7 | -176.1 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | T78 S79 T81 E87 L91 | T78-V83 CarbonylContact C-O 3.57Å; T78-V83 WeakPolarHBondContact CA-O 3.21Å; S79-V83 PolarHBondContact N-O 3.43Å; S79-V83 PolarHBondContact OG-N 2.76Å; S79-V83 PolarHBondContact OG-O 2.9Å; T81-V83 VanDerWaalsContact C-N 3.26Å; T81-V83 PolarHBondContact O-N 3.39Å; T81-V83 VanDerWaalsContact OG1-CG2 3.3Å; T81-V83 WeakPolarHBondContact OG1-CG2 3.42Å; V83-E87 HydrophobicContact CG1-CB 3.38Å; V83-E87 HydrophobicContact CG1-CG 4.45Å; V83-L91 HydrophobicContact CG1-CD1 4.23Å | ||
| 84 | T | 94.4 | Very high | 91.8 | Very high | 47 Ų | 47 | 88.1 Ų | 88.1 | 29% | 0.288 | 46% | 0.459 | S | S | . | . | B | Isolated β-bridge | trans | -72.7 | 166 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | T78 E86 E87 C88 | T78-T84 HydrophobicContact CG2-CG2 4.37Å; T84-E86 VanDerWaalsContact C-N 3.27Å; T84-E86 PolarHBondContact O-N 3.34Å; T84-E87 WeakPolarHBondContact CB-OE2 3.26Å; T84-E87 PolarHBondContact N-OE2 3.35Å; T84-E87 PolarHBondContact O-N 3.17Å; T84-E87 WeakPolarHBondContact OG1-CB 3.31Å; T84-E87 VanDerWaalsContact OG1-CD 3.23Å; T84-E87 WeakPolarHBondContact OG1-CG 3.42Å; T84-E87 PolarHBondContact OG1-N 2.89Å; T84-E87 PolarHBondContact OG1-OE2 3.22Å; T84-C88 WeakPolarHBondContact O-CB 3.45Å; T84-C88 PolarHBondContact O-N 3.02Å; T84-C88 PolarHBondContact O-SG 3.2Å |
| 85 | V | 90.9 | Very high | 91.7 | Very high | 54 Ų | 54 | 84.4 Ų | 84.4 | 33% | 0.327 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 111 | C88 R89 | V85-C88 PolarHBondContact O-N 3.03Å; V85-R89 WeakPolarHBondContact O-CG 3.14Å; V85-R89 PolarHBondContact O-N 3.41Å |
| 86 | E | 92.1 | Very high | 91.5 | Very high | 111 Ų | 111 | 80.4 Ų | 80.4 | 52% | 0.519 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -46 | -179.3 | -70.6 | 58.9 | -130.1 | 0 | 0 | 110.9 | T84 R89 V90 | T84-E86 VanDerWaalsContact C-N 3.27Å; T84-E86 PolarHBondContact O-N 3.34Å; E86-R89 WeakPolarHBondContact O-CB 3.41Å; E86-R89 PolarHBondContact O-N 3.27Å; E86-R89 IonicContact OE1-NH1 2.75Å; E86-R89 PolarHBondContact OE1-NH1 3.23Å; E86-V90 PolarHBondContact O-N 3.46Å; E86-V90 VanDerWaalsContact O-N 3.09Å |
| 87 | E | 93.6 | Very high | 91.3 | Very high | 100 Ų | 100 | 74.5 Ų | 74.5 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 174.3 | -70.3 | 164.2 | 142.8 | 0 | 0 | 111.4 | V83 T84 R89 V90 L91 | V83-E87 HydrophobicContact CG1-CB 3.38Å; V83-E87 HydrophobicContact CG1-CG 4.45Å; T84-E87 WeakPolarHBondContact CB-OE2 3.26Å; T84-E87 PolarHBondContact N-OE2 3.35Å; T84-E87 PolarHBondContact O-N 3.17Å; T84-E87 WeakPolarHBondContact OG1-CB 3.31Å; T84-E87 VanDerWaalsContact OG1-CD 3.23Å; T84-E87 WeakPolarHBondContact OG1-CG 3.42Å; T84-E87 PolarHBondContact OG1-N 2.89Å; T84-E87 PolarHBondContact OG1-OE2 3.22Å; E87-R89 VanDerWaalsContact C-N 3.28Å; E87-R89 PolarHBondContact O-N 2.77Å; E87-V90 PolarHBondContact O-N 2.59Å; E87-L91 WeakPolarHBondContact O-CB 3.3Å; E87-L91 VanDerWaalsContact O-CG 3.31Å; E87-L91 WeakPolarHBondContact O-CG 3.37Å; E87-L91 PolarHBondContact O-N 3.08Å |
| 88 | C | 91.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 77.5 Ų | 77.5 | 28% | 0.277 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.5 | -37.3 | 173.3 | -77.6 | 0 | 0 | 0 | 0 | 112.3 | T84 V85 L92 | T84-C88 WeakPolarHBondContact O-CB 3.45Å; T84-C88 PolarHBondContact O-N 3.02Å; T84-C88 PolarHBondContact O-SG 3.2Å; V85-C88 PolarHBondContact O-N 3.03Å; C88-L92 VanDerWaalsContact O-CB 3.26Å; C88-L92 WeakPolarHBondContact O-CB 3.35Å; C88-L92 WeakPolarHBondContact O-CG 3.49Å; C88-L92 PolarHBondContact O-N 3.1Å |
| 89 | R | 91.3 | Very high | 90.9 | Very high | 129 Ų | 129 | 77 Ų | 77 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.4 | -76.2 | -178.7 | -174.1 | 121.7 | -0.4 | 111.1 | V85 E86 E87 L92 S93 | V85-R89 WeakPolarHBondContact O-CG 3.14Å; V85-R89 PolarHBondContact O-N 3.41Å; E86-R89 WeakPolarHBondContact O-CB 3.41Å; E86-R89 PolarHBondContact O-N 3.27Å; E86-R89 IonicContact OE1-NH1 2.75Å; E86-R89 PolarHBondContact OE1-NH1 3.23Å; E87-R89 VanDerWaalsContact C-N 3.28Å; E87-R89 PolarHBondContact O-N 2.77Å; R89-L92 PolarHBondContact O-N 3.11Å; R89-S93 PolarHBondContact O-N 3.31Å |
| 90 | V | 92.3 | Very high | 90.8 | Very high | 91 Ų | 91 | 79 Ų | 79 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.1 | -49.5 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | E86 E87 L92 S93 M96 | E86-V90 PolarHBondContact O-N 3.46Å; E86-V90 VanDerWaalsContact O-N 3.09Å; E87-V90 PolarHBondContact O-N 2.59Å; V90-L92 PolarHBondContact O-N 2.83Å; V90-S93 VanDerWaalsContact O-CB 3.27Å; V90-S93 WeakPolarHBondContact O-CB 3.49Å; V90-S93 PolarHBondContact O-N 2.89Å; V90-S93 VanDerWaalsContact O-N 3.1Å; V90-S93 PolarHBondContact O-OG 3.1Å; V90-M96 WeakPolarHBondContact O-CB 3.25Å |
| 91 | L | 90.1 | Very high | 90.8 | Very high | 98 Ų | 98 | 72.7 Ų | 72.7 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.5 | -35.4 | 179.7 | -71.5 | 172.5 | 0 | 0 | 0 | 112.8 | V83 E87 | V83-L91 HydrophobicContact CG1-CD1 4.23Å; E87-L91 WeakPolarHBondContact O-CB 3.3Å; E87-L91 VanDerWaalsContact O-CG 3.31Å; E87-L91 WeakPolarHBondContact O-CG 3.37Å; E87-L91 PolarHBondContact O-N 3.08Å |
| 92 | L | 89.9 | Confident | 90.6 | Very high | 83 Ų | 83 | 72.9 Ų | 72.9 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.9 | -179.2 | -64.1 | 173.6 | 0 | 0 | 0 | 113.7 | R25 C88 R89 V90 | R25-L92 PolarHBondContact NH2-O 3.32Å; C88-L92 VanDerWaalsContact O-CB 3.26Å; C88-L92 WeakPolarHBondContact O-CB 3.35Å; C88-L92 WeakPolarHBondContact O-CG 3.49Å; C88-L92 PolarHBondContact O-N 3.1Å; R89-L92 PolarHBondContact O-N 3.11Å; V90-L92 PolarHBondContact O-N 2.83Å |
| 93 | S | 92.7 | Very high | 90.3 | Very high | 11 Ų | 11 | 76.8 Ų | 76.8 | 8% | 0.077 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -65.1 | 152.8 | 179.3 | 70.7 | 0 | 0 | 0 | 0 | 111.4 | R89 V90 S95 M96 Q97 | R89-S93 PolarHBondContact O-N 3.31Å; V90-S93 VanDerWaalsContact O-CB 3.27Å; V90-S93 WeakPolarHBondContact O-CB 3.49Å; V90-S93 PolarHBondContact O-N 2.89Å; V90-S93 VanDerWaalsContact O-N 3.1Å; V90-S93 PolarHBondContact O-OG 3.1Å; S93-S95 VanDerWaalsContact C-N 3.3Å; S93-S95 PolarHBondContact O-N 3.34Å; S93-S95 PolarHBondContact OG-OG 3.44Å; S93-S95 VanDerWaalsContact OG-OG 3.13Å; S93-M96 PolarHBondContact O-N 2.84Å; S93-M96 WeakPolarHBondContact OG-CB 3.31Å; S93-M96 PolarHBondContact OG-N 3.32Å; S93-Q97 PolarHBondContact O-N 3.16Å; S93-Q97 VanDerWaalsContact O-N 3.11Å |
| 94 | G | 91.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 80.2 Ų | 80.2 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T21 M96 Q97 Q98 | T21-G94 PolarHBondContact O-N 2.98Å; G94-M96 VanDerWaalsContact C-N 3.33Å; G94-M96 PolarHBondContact O-N 2.89Å; G94-Q97 PolarHBondContact O-N 3.45Å; G94-Q98 WeakPolarHBondContact O-CB 3.34Å; G94-Q98 VanDerWaalsContact O-CG 3.27Å; G94-Q98 WeakPolarHBondContact O-CG 3.21Å; G94-Q98 PolarHBondContact O-N 3.41Å |
| 95 | S | 88.3 | Confident | 89.3 | Confident | 79 Ų | 79 | 83.1 Ų | 83.1 | 55% | 0.552 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 176.2 | 51 | 0 | 0 | 0 | 0 | 111.6 | S93 Q98 S99 | S93-S95 VanDerWaalsContact C-N 3.3Å; S93-S95 PolarHBondContact O-N 3.34Å; S93-S95 PolarHBondContact OG-OG 3.44Å; S93-S95 VanDerWaalsContact OG-OG 3.13Å; S95-Q98 PolarHBondContact O-N 3.3Å; S95-S99 PolarHBondContact O-N 3.22Å; S95-S99 PolarHBondContact O-OG 2.75Å |
| 96 | M | 88.8 | Confident | 89.1 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.3 | -32.1 | -179.3 | -162.3 | 44.2 | 33.3 | 0 | 0 | 113.9 | V90 S93 G94 S99 M100 | V90-M96 WeakPolarHBondContact O-CB 3.25Å; S93-M96 PolarHBondContact O-N 2.84Å; S93-M96 WeakPolarHBondContact OG-CB 3.31Å; S93-M96 PolarHBondContact OG-N 3.32Å; G94-M96 VanDerWaalsContact C-N 3.33Å; G94-M96 PolarHBondContact O-N 2.89Å; M96-S99 WeakPolarHBondContact CE-OG 3.35Å; M96-S99 PolarHBondContact O-OG 3.25Å; M96-S99 PolarHBondContact SD-OG 3.09Å; M96-M100 WeakPolarHBondContact O-CB 3.22Å; M96-M100 WeakPolarHBondContact O-CG 3.21Å; M96-M100 PolarHBondContact O-N 3.23Å; M96-M100 VanDerWaalsContact O-N 3.11Å; M96-M100 HydrophobicContact SD-CG 4.5Å |
| 97 | Q | 86.4 | Confident | 88.8 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 168.7 | -74 | -171.8 | -32.3 | 0 | 0 | 112.4 | R25 S93 G94 M100 D101 | R25-Q97 VanDerWaalsContact NH2-CD 3.26Å; S93-Q97 PolarHBondContact O-N 3.16Å; S93-Q97 VanDerWaalsContact O-N 3.11Å; G94-Q97 PolarHBondContact O-N 3.45Å; Q97-M100 PolarHBondContact O-N 3.38Å; Q97-D101 WeakPolarHBondContact O-CB 3.22Å; Q97-D101 VanDerWaalsContact O-CG 3.31Å; Q97-D101 PolarHBondContact O-N 2.79Å |
| 98 | Q | 88.3 | Confident | 88.2 | Confident | 137 Ų | 137 | 87.2 Ų | 87.2 | 64% | 0.64 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 178.9 | -75.8 | 174 | -14.3 | 0 | 0 | 111.9 | G94 S95 D101 E102 | G94-Q98 WeakPolarHBondContact O-CB 3.34Å; G94-Q98 VanDerWaalsContact O-CG 3.27Å; G94-Q98 WeakPolarHBondContact O-CG 3.21Å; G94-Q98 PolarHBondContact O-N 3.41Å; S95-Q98 PolarHBondContact O-N 3.3Å; Q98-D101 PolarHBondContact O-N 3.13Å; Q98-E102 WeakPolarHBondContact O-CG 3.45Å; Q98-E102 PolarHBondContact O-N 3.49Å |
| 99 | S | 87.7 | Confident | 87.9 | Confident | 37 Ų | 37 | 92 Ų | 92 | 26% | 0.259 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.5 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | S95 M96 D101 E102 E103 | S95-S99 PolarHBondContact O-N 3.22Å; S95-S99 PolarHBondContact O-OG 2.75Å; M96-S99 WeakPolarHBondContact CE-OG 3.35Å; M96-S99 PolarHBondContact O-OG 3.25Å; M96-S99 PolarHBondContact SD-OG 3.09Å; S99-D101 VanDerWaalsContact C-N 3.31Å; S99-D101 PolarHBondContact O-N 3.31Å; S99-E102 PolarHBondContact O-N 3.13Å; S99-E103 WeakPolarHBondContact O-CB 3.27Å; S99-E103 WeakPolarHBondContact O-CG 3.48Å; S99-E103 PolarHBondContact O-N 2.93Å |
| 100 | M | 87.7 | Confident | 87.6 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 177.4 | -71.2 | -179.8 | 81.7 | 0 | 0 | 112.5 | M96 Q97 K104 | M96-M100 WeakPolarHBondContact O-CB 3.22Å; M96-M100 WeakPolarHBondContact O-CG 3.21Å; M96-M100 PolarHBondContact O-N 3.23Å; M96-M100 VanDerWaalsContact O-N 3.11Å; M96-M100 HydrophobicContact SD-CG 4.5Å; Q97-M100 PolarHBondContact O-N 3.38Å; M100-K104 WeakPolarHBondContact O-CB 3.27Å; M100-K104 WeakPolarHBondContact O-CD 3.47Å; M100-K104 WeakPolarHBondContact O-CG 3.39Å; M100-K104 PolarHBondContact O-N 2.66Å |
| 101 | D | 87.6 | Confident | 87.1 | Confident | 81 Ų | 81 | 88.2 Ų | 88.2 | 43% | 0.433 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71 | -38.9 | 177.3 | -74.8 | -15.9 | 0 | 0 | 0 | 111.7 | Q97 Q98 S99 K104 K105 | Q97-D101 WeakPolarHBondContact O-CB 3.22Å; Q97-D101 VanDerWaalsContact O-CG 3.31Å; Q97-D101 PolarHBondContact O-N 2.79Å; Q98-D101 PolarHBondContact O-N 3.13Å; S99-D101 VanDerWaalsContact C-N 3.31Å; S99-D101 PolarHBondContact O-N 3.31Å; D101-K104 IonicContact OD1-NZ 3.83Å; D101-K105 VanDerWaalsContact O-CG 3.25Å; D101-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 3.01Å |
| 102 | E | 89.8 | Confident | 86.8 | Confident | 114 Ų | 114 | 89.7 Ų | 89.7 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 173 | -71.9 | -56.2 | 133 | 0 | 0 | 112.1 | Q98 S99 K104 K105 G106 | Q98-E102 WeakPolarHBondContact O-CG 3.45Å; Q98-E102 PolarHBondContact O-N 3.49Å; S99-E102 PolarHBondContact O-N 3.13Å; E102-K104 PolarHBondContact O-N 3.35Å; E102-K105 WeakPolarHBondContact O-CB 3.44Å; E102-K105 PolarHBondContact O-N 3.4Å; E102-K105 IonicContact OE1-NZ 3.95Å; E102-K105 PolarHBondContact OE1-NZ 3.32Å; E102-G106 PolarHBondContact O-N 3.25Å |
| 103 | E | 86.4 | Confident | 86.6 | Confident | 128 Ų | 128 | 92.1 Ų | 92.1 | 60% | 0.598 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 174.8 | -76 | 175.1 | -175 | 0 | 0 | 111.6 | S99 K105 G106 L107 | S99-E103 WeakPolarHBondContact O-CB 3.27Å; S99-E103 WeakPolarHBondContact O-CG 3.48Å; S99-E103 PolarHBondContact O-N 2.93Å; E103-K105 PolarHBondContact O-N 2.97Å; E103-G106 PolarHBondContact O-N 3.41Å; E103-L107 VanDerWaalsContact O-CG 3.32Å; E103-L107 WeakPolarHBondContact O-CG 3.48Å; E103-L107 PolarHBondContact O-N 3.11Å |
| 104 | K | 83.3 | Confident | 86.1 | Confident | 102 Ų | 102 | 100.5 Ų | 100.5 | 44% | 0.443 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 173.7 | -76.7 | 169.5 | -170.6 | 168 | 0 | 110.5 | M100 D101 E102 G106 L107 W108 | M100-K104 WeakPolarHBondContact O-CB 3.27Å; M100-K104 WeakPolarHBondContact O-CD 3.47Å; M100-K104 WeakPolarHBondContact O-CG 3.39Å; M100-K104 PolarHBondContact O-N 2.66Å; D101-K104 IonicContact OD1-NZ 3.83Å; E102-K104 PolarHBondContact O-N 3.35Å; K104-G106 VanDerWaalsContact C-N 3.27Å; K104-G106 PolarHBondContact O-N 3Å; K104-L107 PolarHBondContact O-N 3.44Å; K104-L107 VanDerWaalsContact O-N 3.16Å; K104-W108 WeakPolarHBondContact O-CB 3.35Å; K104-W108 PolarHBondContact O-N 3.47Å |
| 105 | K | 86.1 | Confident | 85.4 | Confident | 108 Ų | 108 | 106.9 Ų | 106.9 | 47% | 0.47 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.5 | -42 | 177.7 | -71.8 | 169.5 | -165.8 | 170.5 | 0 | 111.7 | D101 E102 E103 W108 K109 | D101-K105 VanDerWaalsContact O-CG 3.25Å; D101-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 3.01Å; E102-K105 WeakPolarHBondContact O-CB 3.44Å; E102-K105 PolarHBondContact O-N 3.4Å; E102-K105 IonicContact OE1-NZ 3.95Å; E102-K105 PolarHBondContact OE1-NZ 3.32Å; E103-K105 PolarHBondContact O-N 2.97Å; K105-W108 PolarHBondContact O-N 2.97Å; K105-K109 WeakPolarHBondContact O-CB 3.38Å; K105-K109 VanDerWaalsContact O-CG 3.29Å; K105-K109 WeakPolarHBondContact O-CG 3.18Å; K105-K109 PolarHBondContact O-N 3.18Å |
| 106 | G | 85.5 | Confident | 84.6 | Confident | 41 Ų | 41 | 107 Ų | 107 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E102 E103 K104 K109 S110 | E102-G106 PolarHBondContact O-N 3.25Å; E103-G106 PolarHBondContact O-N 3.41Å; K104-G106 VanDerWaalsContact C-N 3.27Å; K104-G106 PolarHBondContact O-N 3Å; G106-K109 PolarHBondContact O-N 3.45Å; G106-S110 PolarHBondContact O-N 2.96Å |
| 107 | L | 86.9 | Confident | 83.2 | Confident | 124 Ų | 124 | 108.7 Ų | 108.7 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 176.3 | -68.8 | 168.8 | 0 | 0 | 0 | 112.1 | E103 K104 K109 S110 L111 | E103-L107 VanDerWaalsContact O-CG 3.32Å; E103-L107 WeakPolarHBondContact O-CG 3.48Å; E103-L107 PolarHBondContact O-N 3.11Å; K104-L107 PolarHBondContact O-N 3.44Å; K104-L107 VanDerWaalsContact O-N 3.16Å; L107-K109 PolarHBondContact O-N 3.22Å; L107-S110 PolarHBondContact O-N 2.89Å; L107-L111 WeakPolarHBondContact O-CB 3.32Å; L107-L111 PolarHBondContact O-N 3.3Å |
| 108 | W | 80.1 | Confident | 81.7 | Confident | 187 Ų | 187 | 114.2 Ų | 114.2 | 71% | 0.708 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62 | -41.2 | 175.1 | -82 | 103 | 0 | 0 | 0 | 112 | K104 K105 L111 M112 | K104-W108 WeakPolarHBondContact O-CB 3.35Å; K104-W108 PolarHBondContact O-N 3.47Å; K105-W108 PolarHBondContact O-N 2.97Å; W108-L111 PolarHBondContact O-N 2.89Å; W108-M112 WeakPolarHBondContact O-CB 3.39Å; W108-M112 PolarHBondContact O-N 3.37Å |
| 109 | K | 84.8 | Confident | 79.8 | Confident | 141 Ų | 141 | 112.6 Ų | 112.6 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.7 | -48.6 | 174.2 | -75.9 | 175.3 | -179.2 | -177.7 | 0 | 111.5 | K105 G106 L107 L111 M112 E113 | K105-K109 WeakPolarHBondContact O-CB 3.38Å; K105-K109 VanDerWaalsContact O-CG 3.29Å; K105-K109 WeakPolarHBondContact O-CG 3.18Å; K105-K109 PolarHBondContact O-N 3.18Å; G106-K109 PolarHBondContact O-N 3.45Å; L107-K109 PolarHBondContact O-N 3.22Å; K109-L111 VanDerWaalsContact C-N 3.32Å; K109-L111 PolarHBondContact O-N 3.48Å; K109-M112 PolarHBondContact O-N 2.96Å; K109-E113 WeakPolarHBondContact O-CB 3.49Å; K109-E113 WeakPolarHBondContact O-CG 3.3Å; K109-E113 PolarHBondContact O-N 3.34Å |
| 110 | S | 85.1 | Confident | 77.9 | Confident | 48 Ų | 48 | 116.9 Ų | 116.9 | 34% | 0.336 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.5 | -39.4 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | G106 L107 R114 | G106-S110 PolarHBondContact O-N 2.96Å; L107-S110 PolarHBondContact O-N 2.89Å; S110-R114 VanDerWaalsContact O-CG 3.3Å; S110-R114 WeakPolarHBondContact O-CG 3.4Å; S110-R114 PolarHBondContact O-N 2.97Å; S110-R114 VanDerWaalsContact O-N 3.08Å |
| 111 | L | 83.4 | Confident | 76.1 | Confident | 92 Ų | 92 | 121.8 Ų | 121.8 | 48% | 0.482 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.1 | -47.9 | 174.8 | -160 | 105.8 | 0 | 0 | 0 | 110.7 | L107 W108 K109 E113 R114 F115 | L107-L111 WeakPolarHBondContact O-CB 3.32Å; L107-L111 PolarHBondContact O-N 3.3Å; W108-L111 PolarHBondContact O-N 2.89Å; K109-L111 VanDerWaalsContact C-N 3.32Å; K109-L111 PolarHBondContact O-N 3.48Å; L111-E113 PolarHBondContact O-N 2.91Å; L111-R114 PolarHBondContact O-N 2.75Å; L111-F115 HydrophobicContact CD1-CE2 4.46Å; L111-F115 HydrophobicContact CD2-CD2 4.07Å; L111-F115 HydrophobicContact CD2-CE2 3.93Å; L111-F115 HydrophobicContact CG-CD2 3.97Å; L111-F115 HydrophobicContact CG-CE2 3.92Å; L111-F115 VanDerWaalsContact O-CD2 3.31Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.5Å |
| 112 | M | 82.4 | Confident | 74.4 | Confident | 129 Ų | 129 | 125.8 Ų | 125.8 | 64% | 0.635 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61 | -41.9 | 178.4 | -170.9 | 68.1 | -165.3 | 0 | 0 | 112 | W108 K109 R114 F115 S116 | W108-M112 WeakPolarHBondContact O-CB 3.39Å; W108-M112 PolarHBondContact O-N 3.37Å; K109-M112 PolarHBondContact O-N 2.96Å; M112-R114 PolarHBondContact O-N 3.47Å; M112-F115 PolarHBondContact O-N 2.89Å; M112-S116 WeakPolarHBondContact O-CB 3.29Å; M112-S116 PolarHBondContact O-N 2.86Å |
| 113 | E | 85.4 | Confident | 72.1 | Confident | 135 Ų | 135 | 123.5 Ų | 123.5 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.5 | -42.9 | 175.6 | -77.2 | 174.2 | -178 | 0 | 0 | 111.7 | K109 L111 F115 S116 S117 | K109-E113 WeakPolarHBondContact O-CB 3.49Å; K109-E113 WeakPolarHBondContact O-CG 3.3Å; K109-E113 PolarHBondContact O-N 3.34Å; L111-E113 PolarHBondContact O-N 2.91Å; E113-F115 VanDerWaalsContact C-N 3.35Å; E113-F115 PolarHBondContact O-N 2.98Å; E113-S116 PolarHBondContact O-N 3.41Å; E113-S117 WeakPolarHBondContact O-CB 3.47Å; E113-S117 PolarHBondContact O-N 3.33Å; E113-S117 PolarHBondContact O-OG 2.61Å |
| 114 | R | 83.2 | Confident | 70.1 | Confident | 187 Ų | 187 | 123.5 Ų | 123.5 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66 | -33.8 | 176.4 | -73.9 | 176.1 | 178.3 | -166.5 | 0.3 | 113.4 | S110 L111 M112 S117 | S110-R114 VanDerWaalsContact O-CG 3.3Å; S110-R114 WeakPolarHBondContact O-CG 3.4Å; S110-R114 PolarHBondContact O-N 2.97Å; S110-R114 VanDerWaalsContact O-N 3.08Å; L111-R114 PolarHBondContact O-N 2.75Å; M112-R114 PolarHBondContact O-N 3.47Å; R114-S117 WeakPolarHBondContact CA-OG 3.36Å; R114-S117 PolarHBondContact O-OG 2.93Å |
| 115 | F | 76.5 | Confident | 68.4 | Low | 152 Ų | 152 | 128.1 Ų | 128.1 | 67% | 0.667 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.4 | -35.7 | 174.9 | -86.3 | -81.1 | 0 | 0 | 0 | 112.1 | L111 M112 E113 K118 | L111-F115 HydrophobicContact CD1-CE2 4.46Å; L111-F115 HydrophobicContact CD2-CD2 4.07Å; L111-F115 HydrophobicContact CD2-CE2 3.93Å; L111-F115 HydrophobicContact CG-CD2 3.97Å; L111-F115 HydrophobicContact CG-CE2 3.92Å; L111-F115 VanDerWaalsContact O-CD2 3.31Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.5Å; M112-F115 PolarHBondContact O-N 2.89Å; E113-F115 VanDerWaalsContact C-N 3.35Å; E113-F115 PolarHBondContact O-N 2.98Å; F115-K118 PolarHBondContact O-N 3.08Å |
| 116 | S | 71 | Confident | 66.3 | Low | 83 Ų | 83 | 133 Ų | 133 | 58% | 0.58 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.6 | -23.2 | -180 | -169.6 | 0 | 0 | 0 | 0 | 113.6 | M112 E113 K118 | M112-S116 WeakPolarHBondContact O-CB 3.29Å; M112-S116 PolarHBondContact O-N 2.86Å; E113-S116 PolarHBondContact O-N 3.41Å; S116-K118 PolarHBondContact O-N 3.48Å |
| 117 | S | 60.1 | Low | 64.4 | Low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 4.3 | 173 | 41.9 | 0 | 0 | 0 | 0 | 113.2 | E113 R114 | E113-S117 WeakPolarHBondContact O-CB 3.47Å; E113-S117 PolarHBondContact O-N 3.33Å; E113-S117 PolarHBondContact O-OG 2.61Å; R114-S117 WeakPolarHBondContact CA-OG 3.36Å; R114-S117 PolarHBondContact O-OG 2.93Å |
| 118 | K | 54.7 | Low | 62.6 | Low | 186 Ų | 186 | 135.3 Ų | 135.3 | 81% | 0.809 | 72% | 0.718 | S | S | * | * | trans | -113.9 | 65.6 | 174.8 | -147.1 | 173.7 | -169.8 | 178 | 0 | 110.7 | F115 S116 | F115-K118 PolarHBondContact O-N 3.08Å; S116-K118 PolarHBondContact O-N 3.48Å | ||
| 119 | S | 47.3 | Very low | 60.9 | Low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -88.6 | 150.2 | 158.1 | -111.3 | 0 | 0 | 0 | 0 | 109.5 | E121 | S119-E121 PolarHBondContact O-N 3.31Å; S119-E121 VanDerWaalsContact O-N 3.15Å | ||
| 120 | P | 48 | Very low | 58.8 | Low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -82.8 | 95.3 | -169.2 | 33.5 | -31.3 | 0 | 0 | 0 | 110.7 | ||||
| 121 | E | 49.9 | Very low | 57.5 | Low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -93.2 | 86.7 | 151.8 | -83.5 | -171.3 | 126.6 | 0 | 0 | 107.8 | S119 | S119-E121 PolarHBondContact O-N 3.31Å; S119-E121 VanDerWaalsContact O-N 3.15Å | ||
| 122 | D | 53.1 | Low | 56.1 | Low | 166 Ų | 166 | 149.1 Ų | 149.1 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -163.9 | 89 | 150.1 | -104.8 | -26.8 | 0 | 0 | 0 | 108.5 | ||||
| 123 | G | 40.6 | Very low | 54.7 | Low | 65 Ų | 65 | 150.2 Ų | 150.2 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -112 | 128.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | E125 | G123-E125 PolarHBondContact O-N 3.33Š| ||
| 124 | P | 45.8 | Very low | 52.9 | Low | 129 Ų | 129 | 151.1 Ų | 151.1 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -68 | 131.9 | -160.9 | 26.4 | -34 | 0 | 0 | 0 | 112.8 | K126 | P124-K126 PolarHBondContact O-N 3.15Å; P124-K126 VanDerWaalsContact O-N 3.13Å | ||
| 125 | E | 46 | Very low | 51 | Low | 198 Ų | 198 | 148.9 Ų | 148.9 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -53.3 | 113.4 | 165 | -75.4 | -176.1 | 146.5 | 0 | 0 | 109.7 | G123 A127 | G123-E125 PolarHBondContact O-N 3.33Å; E125-A127 PolarHBondContact O-N 3.49Å | ||
| 126 | K | 42.5 | Very low | 49.3 | Very low | 210 Ų | 210 | 148.7 Ų | 148.7 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -72.8 | 114.7 | 167.3 | -109.9 | -177.5 | 176 | -177.8 | 0 | 108.4 | P124 | P124-K126 PolarHBondContact O-N 3.15Å; P124-K126 VanDerWaalsContact O-N 3.13Å | ||
| 127 | A | 46.6 | Very low | 47.7 | Very low | 85 Ų | 85 | 153.4 Ų | 153.4 | 70% | 0.702 | 84% | 0.841 | S | S | * | * | trans | -55.5 | 148.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E125 | E125-A127 PolarHBondContact O-N 3.49Š| ||
| 128 | P | 47.9 | Very low | 46.8 | Very low | 130 Ų | 130 | 157.5 Ų | 157.5 | 84% | 0.844 | 85% | 0.852 | S | S | * | * | trans | -78.6 | 126.1 | 175.8 | 31.1 | -30.8 | 0 | 0 | 0 | 110.6 | ||||
| 129 | E | 44.8 | Very low | 46.1 | Very low | 182 Ų | 182 | 155.1 Ų | 155.1 | 85% | 0.85 | 86% | 0.855 | S | S | * | * | trans | -115.6 | 120.7 | 163.5 | -84.6 | -166.2 | 132.7 | 0 | 0 | 110.7 | ||||
| 130 | K | 40.9 | Very low | 46 | Very low | 277 Ų | 277 | 159.8 Ų | 159.8 | 100% | 1.204 | 87% | 0.868 | S | S | * | * | trans | 63.6 | 0 | 157.9 | -68.2 | -175.9 | 178.6 | 177.1 | 0 | 120.5 |
Retrieved 130 of 130 residues in 136.5 ms
(Link to these results)