| 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 | 58.9 | Low | 79.2 | Confident | 103 Ų | 103 | 78.8 Ų | 78.8 | 51% | 0.507 | 42% | 0.419 | S | S | . | . | 0 | -59 | 0 | -98.6 | -155.3 | 172.3 | 0 | 0 | 114.9 | K3 A4 Y5 F43 M47 F61 | M1-K3 PolarHBondContact O-N 3.2Å; M1-K3 VanDerWaalsContact O-N 3.07Å; M1-A4 VanDerWaalsContact O-CB 3.23Å; M1-A4 WeakPolarHBondContact O-CB 3.28Å; M1-A4 PolarHBondContact O-N 2.97Å; M1-Y5 PolarHBondContact SD-OH 3.39Å; M1-F43 HydrophobicContact CE-CD1 3.72Å; M1-F43 HydrophobicContact CE-CE1 3.93Å; M1-M47 HydrophobicContact CE-CE 4.29Å; M1-F61 WeakPolarHBondContact CE-O 3.47Å | |||
| 2 | A | 66 | Low | 79.7 | Confident | 50 Ų | 50 | 83.7 Ų | 83.7 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -43.4 | -50.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A4 Y5 F34 | A2-A4 PolarHBondContact O-N 2.77Å; A2-A4 VanDerWaalsContact O-N 3.09Å; A2-Y5 PolarHBondContact O-N 3.4Å; A2-Y5 VanDerWaalsContact O-N 3.11Å; A2-F34 VanDerWaalsContact C-CE1 3.41Å; A2-F34 VanDerWaalsContact CA-CE1 3.45Å; A2-F34 HydrophobicContact CB-CD1 3.99Å; A2-F34 HydrophobicContact CB-CE1 3.27Å; A2-F34 HydrophobicContact CB-CZ 3.83Å; A2-F34 WeakPolarHBondContact O-CE1 3.4Å; A2-F34 WeakPolarHBondContact O-CZ 3.48Å |
| 3 | K | 77.2 | Confident | 80.2 | Confident | 180 Ų | 180 | 87.2 Ų | 87.2 | 78% | 0.783 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59.7 | -24.3 | 179.3 | -66.5 | -178 | -179.8 | 178.1 | 0 | 114.6 | M1 L6 | M1-K3 PolarHBondContact O-N 3.2Å; M1-K3 VanDerWaalsContact O-N 3.07Å; K3-L6 PolarHBondContact O-N 2.97Å |
| 4 | A | 78.8 | Confident | 80.5 | Confident | 22 Ų | 22 | 84 Ų | 84 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -72.1 | -31.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 A2 L6 Q7 F43 | M1-A4 VanDerWaalsContact O-CB 3.23Å; M1-A4 WeakPolarHBondContact O-CB 3.28Å; M1-A4 PolarHBondContact O-N 2.97Å; A2-A4 PolarHBondContact O-N 2.77Å; A2-A4 VanDerWaalsContact O-N 3.09Å; A4-L6 PolarHBondContact O-N 3.08Å; A4-Q7 VanDerWaalsContact O-CB 3.31Å; A4-Q7 WeakPolarHBondContact O-CB 3.46Å; A4-Q7 PolarHBondContact O-N 2.62Å; A4-F43 HydrophobicContact CB-CE2 3.56Å; A4-F43 HydrophobicContact CB-CZ 3.64Å |
| 5 | Y | 78.7 | Confident | 80.9 | Confident | 25 Ų | 25 | 79.1 Ų | 79.1 | 10% | 0.098 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.5 | -30.8 | 175.2 | -59.3 | -32.2 | 0 | 0 | 0 | 112.2 | M1 A2 Q7 L8 F34 A39 F43 | M1-Y5 PolarHBondContact SD-OH 3.39Å; A2-Y5 PolarHBondContact O-N 3.4Å; A2-Y5 VanDerWaalsContact O-N 3.11Å; Y5-Q7 PolarHBondContact O-N 3.3Å; Y5-L8 WeakPolarHBondContact O-CB 3.41Å; Y5-L8 PolarHBondContact O-N 2.85Å; Y5-F34 HydrophobicContact CD2-CD1 4.37Å; Y5-F34 HydrophobicContact CD2-CE1 4.24Å; Y5-A39 HydrophobicContact CE2-CB 4.36Å; Y5-F43 HydrophobicContact CD1-CB 4.12Å; Y5-F43 AromaticContact CD1-CD2 3.96Å; Y5-F43 HydrophobicContact CD1-CD2 3.96Å; Y5-F43 HydrophobicContact CD1-CG 4.11Å; Y5-F43 HydrophobicContact CE1-CB 3.56Å; Y5-F43 HydrophobicContact CE1-CD1 4.26Å; Y5-F43 HydrophobicContact CE1-CD2 4.02Å; Y5-F43 AromaticContact CE1-CG 3.69Å; Y5-F43 HydrophobicContact CE1-CG 3.69Å |
| 6 | L | 83.3 | Confident | 81 | Confident | 78 Ų | 78 | 81.5 Ų | 81.5 | 41% | 0.408 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.7 | 175.3 | -57.9 | 177.7 | 0 | 0 | 0 | 113.5 | K3 A4 C31 F34 | K3-L6 PolarHBondContact O-N 2.97Å; A4-L6 PolarHBondContact O-N 3.08Å; L6-C31 VanDerWaalsContact O-CB 3.29Å; L6-C31 WeakPolarHBondContact O-CB 3.47Å; L6-C31 PolarHBondContact O-SG 3.38Å; L6-F34 HydrophobicContact CD1-CE2 4.21Å; L6-F34 HydrophobicContact CD1-CZ 4Å; L6-F34 HydrophobicContact CD2-CE2 4.13Å; L6-F34 HydrophobicContact CD2-CZ 4.13Å; L6-F34 HydrophobicContact CG-CE2 4.32Å; L6-F34 HydrophobicContact CG-CZ 3.92Å |
| 7 | Q | 83.8 | Confident | 81.2 | Confident | 158 Ų | 158 | 82.1 Ų | 82.1 | 74% | 0.738 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -11.3 | 172.8 | -56.6 | -177.7 | 5.5 | 0 | 0 | 112.5 | A4 Y5 P9 | A4-Q7 VanDerWaalsContact O-CB 3.31Å; A4-Q7 WeakPolarHBondContact O-CB 3.46Å; A4-Q7 PolarHBondContact O-N 2.62Å; Y5-Q7 PolarHBondContact O-N 3.3Å; Q7-P9 VanDerWaalsContact O-CD 3.26Å; Q7-P9 WeakPolarHBondContact O-CD 3.23Å |
| 8 | L | 83.8 | Confident | 81.5 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 14% | 0.141 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -90.9 | 109.6 | -179.5 | -62.3 | -176.3 | 0 | 0 | 0 | 110.2 | Y5 C31 L32 I42 F43 I46 | Y5-L8 WeakPolarHBondContact O-CB 3.41Å; Y5-L8 PolarHBondContact O-N 2.85Å; L8-C31 VanDerWaalsContact O-CA 3.23Å; L8-C31 WeakPolarHBondContact O-CA 3.5Å; L8-L32 HydrophobicContact CB-CB 4.31Å; L8-L32 HydrophobicContact CD1-CD2 4.18Å; L8-L32 PolarHBondContact O-N 3.04Å; L8-I42 HydrophobicContact CD1-CG2 4.26Å; L8-F43 HydrophobicContact CD1-CD2 4.07Å; L8-I46 HydrophobicContact CD1-CD1 3.72Å; L8-I46 HydrophobicContact CD2-CD1 3.36Å; L8-I46 HydrophobicContact CG-CD1 4.17Å |
| 9 | P | 87.1 | Confident | 81.7 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -66.4 | 142.8 | 171 | 29.2 | -33.3 | 0 | 0 | 0 | 109.5 | Q7 K30 | Q7-P9 VanDerWaalsContact O-CD 3.26Å; Q7-P9 WeakPolarHBondContact O-CD 3.23Å; P9-K30 WeakPolarHBondContact CA-O 3.33Å |
| 10 | V | 86.7 | Confident | 82 | Confident | 30 Ų | 30 | 77 Ų | 77 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | trans | -109.6 | 153.3 | 174.8 | -69.4 | 0 | 0 | 0 | 0 | 110.1 | V15 K30 L32 | V10-V15 HydrophobicContact CG2-CG2 3.57Å; V10-K30 VanDerWaalsContact CG2-O 3.25Å; V10-K30 WeakPolarHBondContact CG2-O 3.33Å; V10-K30 PolarHBondContact N-O 2.88Å; V10-L32 HydrophobicContact CG1-CB 3.97Å; V10-L32 HydrophobicContact CG1-CD1 4.01Å | ||
| 11 | D | 86.5 | Confident | 82.3 | Confident | 86 Ų | 86 | 80.1 Ų | 80.1 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | trans | -66.9 | 161.1 | 175.4 | 70.2 | -81.3 | 0 | 0 | 0 | 111.5 | N13 S14 V15 | D11-N13 VanDerWaalsContact C-N 3.27Å; D11-N13 PolarHBondContact O-N 3.41Å; D11-N13 WeakPolarHBondContact OD2-CA 3.48Å; D11-N13 VanDerWaalsContact OD2-CB 3.28Å; D11-N13 WeakPolarHBondContact OD2-CB 3.4Å; D11-N13 PolarHBondContact OD2-N 3.27Å; D11-S14 WeakPolarHBondContact O-CB 3.42Å; D11-S14 PolarHBondContact O-N 3.2Å; D11-S14 VanDerWaalsContact O-N 3.11Å; D11-S14 VanDerWaalsContact OD1-CB 3.23Å; D11-S14 WeakPolarHBondContact OD1-CB 3.45Å; D11-S14 PolarHBondContact OD1-OG 3.21Å; D11-S14 PolarHBondContact OD2-N 3.48Å; D11-S14 VanDerWaalsContact OD2-N 3.08Å; D11-V15 WeakPolarHBondContact O-CG2 3.25Å; D11-V15 PolarHBondContact O-N 2.92Å | ||
| 12 | N | 85.2 | Confident | 83.9 | Confident | 137 Ų | 137 | 77.7 Ų | 77.7 | 73% | 0.733 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59 | -33.8 | -174.8 | -70.3 | -32.9 | 0 | 0 | 0 | 113.7 | V15 E16 | N12-V15 WeakPolarHBondContact O-CB 3.34Å; N12-V15 PolarHBondContact O-N 3.11Å; N12-E16 WeakPolarHBondContact O-CG 3.43Å; N12-E16 PolarHBondContact O-N 2.7Å |
| 13 | N | 86.6 | Confident | 85 | Confident | 129 Ų | 129 | 83.5 Ų | 83.5 | 69% | 0.69 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.5 | -42.3 | 179.5 | -57.9 | -24.3 | 0 | 0 | 0 | 109.9 | D11 V15 E16 A17 | D11-N13 VanDerWaalsContact C-N 3.27Å; D11-N13 PolarHBondContact O-N 3.41Å; D11-N13 WeakPolarHBondContact OD2-CA 3.48Å; D11-N13 VanDerWaalsContact OD2-CB 3.28Å; D11-N13 WeakPolarHBondContact OD2-CB 3.4Å; D11-N13 PolarHBondContact OD2-N 3.27Å; N13-V15 VanDerWaalsContact C-N 3.28Å; N13-V15 PolarHBondContact O-N 3.2Å; N13-E16 PolarHBondContact O-N 3.06Å; N13-A17 PolarHBondContact O-N 3.32Å |
| 14 | S | 83.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 84.6 Ų | 84.6 | 30% | 0.301 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 173.7 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | D11 E16 A17 Q18 | D11-S14 WeakPolarHBondContact O-CB 3.42Å; D11-S14 PolarHBondContact O-N 3.2Å; D11-S14 VanDerWaalsContact O-N 3.11Å; D11-S14 VanDerWaalsContact OD1-CB 3.23Å; D11-S14 WeakPolarHBondContact OD1-CB 3.45Å; D11-S14 PolarHBondContact OD1-OG 3.21Å; D11-S14 PolarHBondContact OD2-N 3.48Å; D11-S14 VanDerWaalsContact OD2-N 3.08Å; S14-E16 VanDerWaalsContact C-N 3.32Å; S14-A17 PolarHBondContact O-N 3.26Å; S14-Q18 WeakPolarHBondContact O-CG 3.33Å; S14-Q18 PolarHBondContact O-N 3.25Å; S14-Q18 PolarHBondContact O-NE2 3.18Å |
| 15 | V | 86.4 | Confident | 86.2 | Confident | 11 Ų | 11 | 85.2 Ų | 85.2 | 7% | 0.067 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V10 D11 N12 N13 Q18 T19 K28 | V10-V15 HydrophobicContact CG2-CG2 3.57Å; D11-V15 WeakPolarHBondContact O-CG2 3.25Å; D11-V15 PolarHBondContact O-N 2.92Å; N12-V15 WeakPolarHBondContact O-CB 3.34Å; N12-V15 PolarHBondContact O-N 3.11Å; N13-V15 VanDerWaalsContact C-N 3.28Å; N13-V15 PolarHBondContact O-N 3.2Å; V15-Q18 CarbonylContact O-C 3.6Å; V15-Q18 PolarHBondContact O-N 2.94Å; V15-T19 PolarHBondContact O-N 2.85Å; V15-T19 PolarHBondContact O-OG1 3.02Å; V15-K28 HydrophobicContact CG1-CB 3.64Å; V15-K28 HydrophobicContact CG1-CD 4.17Å; V15-K28 HydrophobicContact CG1-CG 4.23Å |
| 16 | E | 83.8 | Confident | 86.7 | Confident | 117 Ų | 117 | 87.3 Ų | 87.3 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 179.2 | -60.7 | -156.9 | 142.3 | 0 | 0 | 111.8 | N12 N13 S14 Q18 T19 K28 | N12-E16 WeakPolarHBondContact O-CG 3.43Å; N12-E16 PolarHBondContact O-N 2.7Å; N13-E16 PolarHBondContact O-N 3.06Å; S14-E16 VanDerWaalsContact C-N 3.32Å; E16-Q18 PolarHBondContact O-N 2.84Å; E16-T19 WeakPolarHBondContact O-CB 3.23Å; E16-T19 PolarHBondContact O-N 3.14Å; E16-T19 PolarHBondContact O-OG1 3.03Å; E16-K28 IonicContact OE1-NZ 2.85Å; E16-K28 PolarHBondContact OE1-NZ 3.01Å |
| 17 | A | 84 | Confident | 86.9 | Confident | 92 Ų | 92 | 89 Ų | 89 | 76% | 0.76 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.9 | -25.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N13 S14 | N13-A17 PolarHBondContact O-N 3.32Å; S14-A17 PolarHBondContact O-N 3.26Å |
| 18 | Q | 85.6 | Confident | 87 | Confident | 21 Ų | 21 | 87 Ų | 87 | 10% | 0.098 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 8.9 | 179.1 | -68.6 | 172.8 | 88.9 | 0 | 0 | 113 | S14 V15 E16 I20 Q33 | S14-Q18 WeakPolarHBondContact O-CG 3.33Å; S14-Q18 PolarHBondContact O-N 3.25Å; S14-Q18 PolarHBondContact O-NE2 3.18Å; V15-Q18 CarbonylContact O-C 3.6Å; V15-Q18 PolarHBondContact O-N 2.94Å; E16-Q18 PolarHBondContact O-N 2.84Å; Q18-I20 PolarHBondContact O-N 2.98Å; Q18-Q33 HydrophobicContact CB-CG 4.34Å; Q18-Q33 PolarHBondContact O-NE2 2.87Å |
| 19 | T | 85.6 | Confident | 87 | Confident | 44 Ų | 44 | 88 Ų | 88 | 27% | 0.27 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 121.4 | -179 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | V15 E16 A26 F27 K28 | V15-T19 PolarHBondContact O-N 2.85Å; V15-T19 PolarHBondContact O-OG1 3.02Å; E16-T19 WeakPolarHBondContact O-CB 3.23Å; E16-T19 PolarHBondContact O-N 3.14Å; E16-T19 PolarHBondContact O-OG1 3.03Å; T19-A26 HydrophobicContact CG2-CB 3.96Å; T19-F27 WeakPolarHBondContact CA-O 3.26Å; T19-K28 HydrophobicContact CG2-CG 4.04Å |
| 20 | I | 88.1 | Confident | 86.9 | Confident | 78 Ų | 78 | 90.4 Ų | 90.4 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.8 | 176.5 | -56.6 | 175 | 0 | 0 | 0 | 108.6 | Q18 T22 A26 F27 | Q18-I20 PolarHBondContact O-N 2.98Å; I20-T22 HydrophobicContact CG2-CG2 4.18Å; I20-A26 WeakPolarHBondContact O-CA 3.22Å; I20-F27 PolarHBondContact N-O 3.13Å; I20-F27 PolarHBondContact O-N 3.29Å |
| 21 | I | 89.1 | Confident | 86.9 | Confident | 144 Ų | 144 | 90.9 Ų | 90.9 | 74% | 0.738 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.6 | 171.5 | -56.6 | 176.4 | 0 | 0 | 0 | 108.4 | ||
| 22 | T | 91 | Very high | 86.7 | Confident | 52 Ų | 52 | 87.2 Ų | 87.2 | 32% | 0.319 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 165 | 171.9 | 75.2 | 0 | 0 | 0 | 0 | 109 | I20 R24 G25 F27 | I20-T22 HydrophobicContact CG2-CG2 4.18Å; T22-R24 PolarHBondContact O-N 3.22Å; T22-R24 PolarHBondContact OG1-N 3.04Å; T22-R24 VanDerWaalsContact OG1-N 3.14Å; T22-G25 PolarHBondContact N-O 3.27Å; T22-G25 PolarHBondContact O-N 3.12Å; T22-G25 PolarHBondContact OG1-N 3.25Å; T22-G25 PolarHBondContact OG1-O 3.09Å; T22-F27 HydrophobicContact CG2-CD2 3.88Å; T22-F27 HydrophobicContact CG2-CE2 4.22Å; T22-F27 WeakPolarHBondContact OG1-CE2 3.29Å |
| 23 | H | 90.7 | Very high | 86.5 | Confident | 172 Ų | 172 | 82.3 Ų | 82.3 | 80% | 0.796 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.7 | 170.8 | 69.6 | -83.1 | 0 | 0 | 0 | 113.6 | ||
| 24 | R | 90.7 | Very high | 85.9 | Confident | 203 Ų | 203 | 81.8 Ų | 81.8 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 0.5 | 178.3 | -55.7 | -169.5 | 179.2 | 177 | -4.3 | 113.5 | T22 | T22-R24 PolarHBondContact O-N 3.22Å; T22-R24 PolarHBondContact OG1-N 3.04Å; T22-R24 VanDerWaalsContact OG1-N 3.14Å |
| 25 | G | 90.7 | Very high | 85.7 | Confident | 34 Ų | 34 | 83.7 Ų | 83.7 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.3 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T22 F27 | T22-G25 PolarHBondContact N-O 3.27Å; T22-G25 PolarHBondContact O-N 3.12Å; T22-G25 PolarHBondContact OG1-N 3.25Å; T22-G25 PolarHBondContact OG1-O 3.09Å; G25-F27 WeakPolarHBondContact O-CD2 3.48Å |
| 26 | A | 88.2 | Confident | 85.4 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 58% | 0.579 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T19 I20 | T19-A26 HydrophobicContact CG2-CB 3.96Å; I20-A26 WeakPolarHBondContact O-CA 3.22Å |
| 27 | F | 87.4 | Confident | 85.3 | Confident | 114 Ų | 114 | 85 Ų | 85 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122 | -179.8 | -68.9 | -88.1 | 0 | 0 | 0 | 110.3 | T19 I20 T22 G25 | T19-F27 WeakPolarHBondContact CA-O 3.26Å; I20-F27 PolarHBondContact N-O 3.13Å; I20-F27 PolarHBondContact O-N 3.29Å; T22-F27 HydrophobicContact CG2-CD2 3.88Å; T22-F27 HydrophobicContact CG2-CE2 4.22Å; T22-F27 WeakPolarHBondContact OG1-CE2 3.29Å; G25-F27 WeakPolarHBondContact O-CD2 3.48Å |
| 28 | K | 86.6 | Confident | 85.3 | Confident | 116 Ų | 116 | 85.9 Ų | 85.9 | 50% | 0.504 | 47% | 0.465 | S | S | . | . | trans | -93.6 | 114.4 | 176.1 | -70.7 | -167.8 | 178 | -169.4 | 0 | 109.3 | V15 E16 T19 | V15-K28 HydrophobicContact CG1-CB 3.64Å; V15-K28 HydrophobicContact CG1-CD 4.17Å; V15-K28 HydrophobicContact CG1-CG 4.23Å; E16-K28 IonicContact OE1-NZ 2.85Å; E16-K28 PolarHBondContact OE1-NZ 3.01Å; T19-K28 HydrophobicContact CG2-CG 4.04Å | ||
| 29 | V | 84 | Confident | 85.3 | Confident | 46 Ų | 46 | 85 Ų | 85 | 28% | 0.279 | 46% | 0.461 | S | S | . | . | trans | -91.2 | 128.6 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 109 | C31 Q33 | V29-C31 WeakPolarHBondContact CG1-O 3.31Å; V29-Q33 HydrophobicContact CB-CG 3.99Å; V29-Q33 VanDerWaalsContact CB-NE2 3.25Å; V29-Q33 HydrophobicContact CG1-CG 4.03Å; V29-Q33 HydrophobicContact CG2-CG 4.27Å | ||
| 30 | K | 85.2 | Confident | 85.2 | Confident | 159 Ų | 159 | 85.6 Ų | 85.6 | 69% | 0.691 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -86.9 | -5 | -176.6 | -62.8 | -173.5 | 179 | -179 | 0 | 114.5 | P9 V10 | P9-K30 WeakPolarHBondContact CA-O 3.33Å; V10-K30 VanDerWaalsContact CG2-O 3.25Å; V10-K30 WeakPolarHBondContact CG2-O 3.33Å; V10-K30 PolarHBondContact N-O 2.88Å |
| 31 | C | 85.7 | Confident | 85.1 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 27% | 0.27 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | -118 | 157.6 | 179.4 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | L6 L8 V29 Q33 | L6-C31 VanDerWaalsContact O-CB 3.29Å; L6-C31 WeakPolarHBondContact O-CB 3.47Å; L6-C31 PolarHBondContact O-SG 3.38Å; L8-C31 VanDerWaalsContact O-CA 3.23Å; L8-C31 WeakPolarHBondContact O-CA 3.5Å; V29-C31 WeakPolarHBondContact CG1-O 3.31Å; C31-Q33 PolarHBondContact O-N 3.48Å; C31-Q33 VanDerWaalsContact O-N 3.13Å |
| 32 | L | 83.2 | Confident | 85 | Confident | 10 Ų | 10 | 80.2 Ų | 80.2 | 5% | 0.052 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 116.1 | -177.4 | -171 | 64.4 | 0 | 0 | 0 | 111.4 | L8 V10 V36 A39 | L8-L32 HydrophobicContact CB-CB 4.31Å; L8-L32 HydrophobicContact CD1-CD2 4.18Å; L8-L32 PolarHBondContact O-N 3.04Å; V10-L32 HydrophobicContact CG1-CB 3.97Å; V10-L32 HydrophobicContact CG1-CD1 4.01Å; L32-V36 HydrophobicContact CD1-CB 4.21Å; L32-V36 HydrophobicContact CD1-CG1 4.23Å; L32-V36 HydrophobicContact CD1-CG2 4.02Å; L32-A39 HydrophobicContact CD2-CB 3.6Å; L32-A39 HydrophobicContact CG-CB 4.27Å |
| 33 | Q | 79.3 | Confident | 84.7 | Confident | 34 Ų | 34 | 79.2 Ų | 79.2 | 16% | 0.159 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 161.5 | 178.5 | -70.8 | -172 | 16.5 | 0 | 0 | 112.7 | Q18 V29 C31 | Q18-Q33 HydrophobicContact CB-CG 4.34Å; Q18-Q33 PolarHBondContact O-NE2 2.87Å; V29-Q33 HydrophobicContact CB-CG 3.99Å; V29-Q33 VanDerWaalsContact CB-NE2 3.25Å; V29-Q33 HydrophobicContact CG1-CG 4.03Å; V29-Q33 HydrophobicContact CG2-CG 4.27Å; C31-Q33 PolarHBondContact O-N 3.48Å; C31-Q33 VanDerWaalsContact O-N 3.13Å |
| 34 | F | 75.4 | Confident | 84.5 | Confident | 117 Ų | 117 | 73.1 Ų | 73.1 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 145.4 | 171.6 | -57.8 | -60.5 | 0 | 0 | 0 | 111.8 | A2 Y5 L6 | A2-F34 VanDerWaalsContact C-CE1 3.41Å; A2-F34 VanDerWaalsContact CA-CE1 3.45Å; A2-F34 HydrophobicContact CB-CD1 3.99Å; A2-F34 HydrophobicContact CB-CE1 3.27Å; A2-F34 HydrophobicContact CB-CZ 3.83Å; A2-F34 WeakPolarHBondContact O-CE1 3.4Å; A2-F34 WeakPolarHBondContact O-CZ 3.48Å; Y5-F34 HydrophobicContact CD2-CD1 4.37Å; Y5-F34 HydrophobicContact CD2-CE1 4.24Å; L6-F34 HydrophobicContact CD1-CE2 4.21Å; L6-F34 HydrophobicContact CD1-CZ 4Å; L6-F34 HydrophobicContact CD2-CE2 4.13Å; L6-F34 HydrophobicContact CD2-CZ 4.13Å; L6-F34 HydrophobicContact CG-CE2 4.32Å; L6-F34 HydrophobicContact CG-CZ 3.92Å |
| 35 | G | 79.8 | Confident | 84.4 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 86% | 0.856 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -4.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | S37 | G35-S37 PolarHBondContact O-N 2.97Š|
| 36 | V | 80.1 | Confident | 84.3 | Confident | 45 Ų | 45 | 71 Ų | 71 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | trans | -71.9 | 114.6 | 170.7 | 179 | 0 | 0 | 0 | 0 | 109.1 | L32 I38 A39 | L32-V36 HydrophobicContact CD1-CB 4.21Å; L32-V36 HydrophobicContact CD1-CG1 4.23Å; L32-V36 HydrophobicContact CD1-CG2 4.02Å; V36-I38 HydrophobicContact CG1-CD1 4.41Å; V36-I38 HydrophobicContact CG1-CG1 3.5Å; V36-I38 VanDerWaalsContact CG1-CG1 3.5Å; V36-I38 PolarHBondContact O-N 3.27Å; V36-A39 HydrophobicContact CB-CB 4.11Å; V36-A39 HydrophobicContact CG1-CB 4.37Å; V36-A39 WeakPolarHBondContact O-CB 3.22Å; V36-A39 PolarHBondContact O-N 3.18Å; V36-A39 VanDerWaalsContact O-N 3.09Å | ||
| 37 | S | 82.3 | Confident | 84.3 | Confident | 112 Ų | 112 | 69 Ų | 69 | 78% | 0.783 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.5 | -175.3 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | G35 P40 | G35-S37 PolarHBondContact O-N 2.97Å; S37-P40 WeakPolarHBondContact O-CD 3.36Å |
| 38 | I | 84 | Confident | 84.4 | Confident | 110 Ų | 110 | 66.9 Ų | 66.9 | 56% | 0.564 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8.6 | 179.4 | 63.6 | 169.5 | 0 | 0 | 0 | 113.6 | V36 P40 G41 I42 | V36-I38 HydrophobicContact CG1-CD1 4.41Å; V36-I38 HydrophobicContact CG1-CG1 3.5Å; V36-I38 VanDerWaalsContact CG1-CG1 3.5Å; V36-I38 PolarHBondContact O-N 3.27Å; I38-P40 VanDerWaalsContact C-CD 3.46Å; I38-G41 PolarHBondContact O-N 3.42Å; I38-I42 HydrophobicContact CD1-CD1 3.85Å; I38-I42 HydrophobicContact CG1-CD1 3.95Å; I38-I42 PolarHBondContact O-N 3.13Å; I38-I42 VanDerWaalsContact O-N 3.12Å |
| 39 | A | 83.6 | Confident | 84.6 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 3% | 0.025 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.7 | -41.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y5 L32 V36 G41 I42 F43 | Y5-A39 HydrophobicContact CE2-CB 4.36Å; L32-A39 HydrophobicContact CD2-CB 3.6Å; L32-A39 HydrophobicContact CG-CB 4.27Å; V36-A39 HydrophobicContact CB-CB 4.11Å; V36-A39 HydrophobicContact CG1-CB 4.37Å; V36-A39 WeakPolarHBondContact O-CB 3.22Å; V36-A39 PolarHBondContact O-N 3.18Å; V36-A39 VanDerWaalsContact O-N 3.09Å; A39-G41 VanDerWaalsContact C-N 3.3Å; A39-G41 PolarHBondContact O-N 3.11Å; A39-I42 PolarHBondContact O-N 3.32Å; A39-F43 WeakPolarHBondContact O-CB 3.42Å; A39-F43 PolarHBondContact O-N 3.17Å |
| 40 | P | 83.6 | Confident | 84.7 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 176.2 | -22.6 | 34.5 | 0 | 0 | 0 | 112.7 | S37 I38 F43 Q44 | S37-P40 WeakPolarHBondContact O-CD 3.36Å; I38-P40 VanDerWaalsContact C-CD 3.46Å; P40-F43 PolarHBondContact O-N 3.4Å; P40-Q44 WeakPolarHBondContact O-CB 3.42Å; P40-Q44 PolarHBondContact O-N 3.39Å |
| 41 | G | 87.3 | Confident | 84.7 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68 | -42 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I38 A39 Q44 Q45 | I38-G41 PolarHBondContact O-N 3.42Å; A39-G41 VanDerWaalsContact C-N 3.3Å; A39-G41 PolarHBondContact O-N 3.11Å; G41-Q44 PolarHBondContact O-N 3.3Å; G41-Q45 PolarHBondContact O-N 3.39Å |
| 42 | I | 86.3 | Confident | 84.8 | Confident | 60 Ų | 60 | 65 Ų | 65 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 174 | -65 | 168.1 | 0 | 0 | 0 | 110.3 | L8 I38 A39 Q44 Q45 I46 | L8-I42 HydrophobicContact CD1-CG2 4.26Å; I38-I42 HydrophobicContact CD1-CD1 3.85Å; I38-I42 HydrophobicContact CG1-CD1 3.95Å; I38-I42 PolarHBondContact O-N 3.13Å; I38-I42 VanDerWaalsContact O-N 3.12Å; A39-I42 PolarHBondContact O-N 3.32Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 3.21Å; I42-Q45 PolarHBondContact O-N 2.95Å; I42-I46 HydrophobicContact CG2-CD1 3.94Å; I42-I46 WeakPolarHBondContact O-CG1 3.33Å; I42-I46 PolarHBondContact O-N 2.81Å |
| 43 | F | 84 | Confident | 84.9 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.5 | -38 | -179.5 | -169.7 | -101.3 | 0 | 0 | 0 | 112 | M1 A4 Y5 L8 A39 P40 I46 M47 | M1-F43 HydrophobicContact CE-CD1 3.72Å; M1-F43 HydrophobicContact CE-CE1 3.93Å; A4-F43 HydrophobicContact CB-CE2 3.56Å; A4-F43 HydrophobicContact CB-CZ 3.64Å; Y5-F43 HydrophobicContact CD1-CB 4.12Å; Y5-F43 AromaticContact CD1-CD2 3.96Å; Y5-F43 HydrophobicContact CD1-CD2 3.96Å; Y5-F43 HydrophobicContact CD1-CG 4.11Å; Y5-F43 HydrophobicContact CE1-CB 3.56Å; Y5-F43 HydrophobicContact CE1-CD1 4.26Å; Y5-F43 HydrophobicContact CE1-CD2 4.02Å; Y5-F43 AromaticContact CE1-CG 3.69Å; Y5-F43 HydrophobicContact CE1-CG 3.69Å; L8-F43 HydrophobicContact CD1-CD2 4.07Å; A39-F43 WeakPolarHBondContact O-CB 3.42Å; A39-F43 PolarHBondContact O-N 3.17Å; P40-F43 PolarHBondContact O-N 3.4Å; F43-I46 PolarHBondContact O-N 3.49Å; F43-M47 HydrophobicContact CD1-CE 3.49Å; F43-M47 VanDerWaalsContact CD1-CE 3.49Å; F43-M47 HydrophobicContact CD1-CG 4.18Å; F43-M47 HydrophobicContact CD1-SD 3.86Å; F43-M47 HydrophobicContact CE1-CE 3.57Å; F43-M47 HydrophobicContact CE1-CG 3.88Å; F43-M47 HydrophobicContact CE1-SD 3.32Å; F43-M47 WeakPolarHBondContact CE1-SD 3.23Å; F43-M47 HydrophobicContact CZ-CG 4.26Å; F43-M47 HydrophobicContact CZ-SD 4.06Å; F43-M47 WeakPolarHBondContact O-CG 3.47Å; F43-M47 PolarHBondContact O-N 3.39Å |
| 44 | Q | 87.6 | Confident | 85.2 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 173.6 | -177.6 | 59.1 | 57.1 | 0 | 0 | 110.7 | P40 G41 I42 I46 M47 D48 P59 | P40-Q44 WeakPolarHBondContact O-CB 3.42Å; P40-Q44 PolarHBondContact O-N 3.39Å; G41-Q44 PolarHBondContact O-N 3.3Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 3.21Å; Q44-I46 VanDerWaalsContact C-N 3.34Å; Q44-I46 PolarHBondContact O-N 2.83Å; Q44-M47 PolarHBondContact O-N 3.43Å; Q44-M47 VanDerWaalsContact O-N 3.17Å; Q44-D48 PolarHBondContact NE2-OD1 2.94Å; Q44-D48 PolarHBondContact NE2-OD2 3.25Å; Q44-D48 WeakPolarHBondContact O-CB 3.37Å; Q44-D48 PolarHBondContact O-N 2.97Å; Q44-P59 PolarHBondContact NE2-O 3.14Å |
| 45 | Q | 89.3 | Confident | 85.7 | Confident | 120 Ų | 120 | 66.3 Ų | 66.3 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.5 | -43.9 | 176.8 | -175.7 | 174.8 | 9.1 | 0 | 0 | 112.1 | G41 I42 M47 D48 D49 | G41-Q45 PolarHBondContact O-N 3.39Å; I42-Q45 PolarHBondContact O-N 2.95Å; Q45-M47 VanDerWaalsContact C-N 3.32Å; Q45-M47 PolarHBondContact O-N 2.94Å; Q45-D48 PolarHBondContact O-N 3.49Å; Q45-D49 WeakPolarHBondContact O-CB 3.18Å; Q45-D49 PolarHBondContact O-N 3.43Å |
| 46 | I | 88.6 | Confident | 86 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 177.8 | -68.2 | 171.2 | 0 | 0 | 0 | 111.3 | L8 I42 F43 Q44 A50 | L8-I46 HydrophobicContact CD1-CD1 3.72Å; L8-I46 HydrophobicContact CD2-CD1 3.36Å; L8-I46 HydrophobicContact CG-CD1 4.17Å; I42-I46 HydrophobicContact CG2-CD1 3.94Å; I42-I46 WeakPolarHBondContact O-CG1 3.33Å; I42-I46 PolarHBondContact O-N 2.81Å; F43-I46 PolarHBondContact O-N 3.49Å; Q44-I46 VanDerWaalsContact C-N 3.34Å; Q44-I46 PolarHBondContact O-N 2.83Å; I46-A50 WeakPolarHBondContact O-CB 3.2Å; I46-A50 PolarHBondContact O-N 3.11Å |
| 47 | M | 88.1 | Confident | 86.5 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 15% | 0.148 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 175.1 | -72.5 | -168.4 | -62.4 | 0 | 0 | 112.2 | M1 F43 Q44 Q45 D49 A50 L51 P59 | M1-M47 HydrophobicContact CE-CE 4.29Å; F43-M47 HydrophobicContact CD1-CE 3.49Å; F43-M47 VanDerWaalsContact CD1-CE 3.49Å; F43-M47 HydrophobicContact CD1-CG 4.18Å; F43-M47 HydrophobicContact CD1-SD 3.86Å; F43-M47 HydrophobicContact CE1-CE 3.57Å; F43-M47 HydrophobicContact CE1-CG 3.88Å; F43-M47 HydrophobicContact CE1-SD 3.32Å; F43-M47 WeakPolarHBondContact CE1-SD 3.23Å; F43-M47 HydrophobicContact CZ-CG 4.26Å; F43-M47 HydrophobicContact CZ-SD 4.06Å; F43-M47 WeakPolarHBondContact O-CG 3.47Å; F43-M47 PolarHBondContact O-N 3.39Å; Q44-M47 PolarHBondContact O-N 3.43Å; Q44-M47 VanDerWaalsContact O-N 3.17Å; Q45-M47 VanDerWaalsContact C-N 3.32Å; Q45-M47 PolarHBondContact O-N 2.94Å; M47-D49 VanDerWaalsContact C-N 3.34Å; M47-A50 PolarHBondContact O-N 2.82Å; M47-L51 WeakPolarHBondContact O-CB 3.2Å; M47-L51 WeakPolarHBondContact O-CG 3.39Å; M47-L51 PolarHBondContact O-N 3.4Å; M47-P59 HydrophobicContact CB-CB 3.77Å; M47-P59 HydrophobicContact CB-CG 4.06Å; M47-P59 HydrophobicContact CE-CB 4.38Å; M47-P59 HydrophobicContact SD-CB 4.45Å |
| 48 | D | 89.3 | Confident | 86.9 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60 | -46 | 175.7 | -79.7 | -46.4 | 0 | 0 | 0 | 110.7 | Q44 Q45 N52 P59 | Q44-D48 PolarHBondContact NE2-OD1 2.94Å; Q44-D48 PolarHBondContact NE2-OD2 3.25Å; Q44-D48 WeakPolarHBondContact O-CB 3.37Å; Q44-D48 PolarHBondContact O-N 2.97Å; Q45-D48 PolarHBondContact O-N 3.49Å; D48-N52 WeakPolarHBondContact O-CA 3.09Å; D48-N52 WeakPolarHBondContact O-CB 3.37Å; D48-N52 PolarHBondContact O-N 2.89Å; D48-P59 HydrophobicContact CB-CG 4.49Å; D48-P59 WeakPolarHBondContact OD1-CG 3.33Å |
| 49 | D | 89.6 | Confident | 87 | Confident | 103 Ų | 103 | 54 Ų | 54 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.6 | -41.9 | 177.7 | -71.3 | -22.9 | 0 | 0 | 0 | 111.9 | Q45 M47 L51 N52 | Q45-D49 WeakPolarHBondContact O-CB 3.18Å; Q45-D49 PolarHBondContact O-N 3.43Å; M47-D49 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 2.94Å; D49-N52 WeakPolarHBondContact O-CB 3.37Å; D49-N52 PolarHBondContact O-N 3.35Å |
| 50 | A | 85.8 | Confident | 87 | Confident | 71 Ų | 71 | 60.9 Ų | 60.9 | 59% | 0.587 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.4 | -31.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I46 M47 | I46-A50 WeakPolarHBondContact O-CB 3.2Å; I46-A50 PolarHBondContact O-N 3.11Å; M47-A50 PolarHBondContact O-N 2.82Å |
| 51 | L | 86.5 | Confident | 86.8 | Confident | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 6 | 178.7 | -57.7 | 179.4 | 0 | 0 | 0 | 112.6 | M47 D49 G53 V54 V57 P59 I63 M80 M83 | M47-L51 WeakPolarHBondContact O-CB 3.2Å; M47-L51 WeakPolarHBondContact O-CG 3.39Å; M47-L51 PolarHBondContact O-N 3.4Å; D49-L51 PolarHBondContact O-N 2.94Å; L51-G53 PolarHBondContact O-N 3.09Å; L51-V54 PolarHBondContact O-N 3.07Å; L51-V57 HydrophobicContact CB-CG1 4.41Å; L51-V57 HydrophobicContact CD1-CG1 3.94Å; L51-P59 HydrophobicContact CD1-CB 3.94Å; L51-P59 HydrophobicContact CD1-CG 4.03Å; L51-I63 HydrophobicContact CD1-CG1 4.07Å; L51-M80 HydrophobicContact CD1-CE 4.34Å; L51-M80 HydrophobicContact CD2-CE 3.6Å; L51-M80 HydrophobicContact CD2-SD 4.12Å; L51-M83 HydrophobicContact CD2-CE 3.24Å |
| 52 | N | 87.4 | Confident | 86.6 | Confident | 130 Ų | 130 | 67.6 Ų | 67.6 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 131.3 | 179.7 | -164.8 | -5.4 | 0 | 0 | 0 | 110.3 | D48 D49 | D48-N52 WeakPolarHBondContact O-CA 3.09Å; D48-N52 WeakPolarHBondContact O-CB 3.37Å; D48-N52 PolarHBondContact O-N 2.89Å; D49-N52 WeakPolarHBondContact O-CB 3.37Å; D49-N52 PolarHBondContact O-N 3.35Å |
| 53 | G | 84.7 | Confident | 86.6 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -4.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L51 P55 | L51-G53 PolarHBondContact O-N 3.09Å; G53-P55 VanDerWaalsContact O-CD 3.26Å; G53-P55 WeakPolarHBondContact O-CD 3.32Å |
| 54 | V | 85.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | trans | -80.8 | 114 | 174.7 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | L51 G56 V57 M83 | L51-V54 PolarHBondContact O-N 3.07Å; V54-G56 PolarHBondContact O-N 3.38Å; V54-V57 HydrophobicContact CB-CB 4.05Å; V54-V57 HydrophobicContact CB-CG2 4.15Å; V54-V57 HydrophobicContact CG1-CB 3.94Å; V54-V57 HydrophobicContact CG1-CG2 3.46Å; V54-V57 VanDerWaalsContact CG1-CG2 3.46Å; V54-V57 PolarHBondContact O-N 3.13Å; V54-M83 HydrophobicContact CG2-CE 4.09Å; V54-M83 HydrophobicContact CG2-SD 4.14Å | ||
| 55 | P | 85.4 | Confident | 87 | Confident | 89 Ų | 89 | 71 Ų | 71 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 125.3 | -172.5 | -23.4 | 34.8 | 0 | 0 | 0 | 112.7 | G53 V57 R76 | G53-P55 VanDerWaalsContact O-CD 3.26Å; G53-P55 WeakPolarHBondContact O-CD 3.32Å; P55-V57 PolarHBondContact O-N 3.12Å; P55-R76 WeakPolarHBondContact O-CD 3.39Å; P55-R76 PolarHBondContact O-NE 2.73Å |
| 56 | G | 87.5 | Confident | 87.1 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 1.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V54 R66 R76 | V54-G56 PolarHBondContact O-N 3.38Å; G56-R66 PolarHBondContact O-N 3.38Å; G56-R76 VanDerWaalsContact CA-NH1 3.28Å |
| 57 | V | 90.9 | Very high | 87.3 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 9% | 0.085 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.7 | 173 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | L51 V54 P55 I63 L64 I65 | L51-V57 HydrophobicContact CB-CG1 4.41Å; L51-V57 HydrophobicContact CD1-CG1 3.94Å; V54-V57 HydrophobicContact CB-CB 4.05Å; V54-V57 HydrophobicContact CB-CG2 4.15Å; V54-V57 HydrophobicContact CG1-CB 3.94Å; V54-V57 HydrophobicContact CG1-CG2 3.46Å; V54-V57 VanDerWaalsContact CG1-CG2 3.46Å; V54-V57 PolarHBondContact O-N 3.13Å; P55-V57 PolarHBondContact O-N 3.12Å; V57-I63 HydrophobicContact CG1-CG2 3.69Å; V57-L64 CarbonylContact C-O 3.54Å; V57-L64 WeakPolarHBondContact CA-O 3.26Å; V57-I65 HydrophobicContact CG2-CG1 4.3Å; V57-I65 HydrophobicContact CG2-CG2 4.49Å |
| 58 | T | 89.6 | Confident | 87.6 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 29% | 0.288 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 114.2 | 177.4 | -54.4 | 0 | 0 | 0 | 0 | 107.7 | Y60 L64 R66 | T58-Y60 PolarHBondContact O-N 3.16Å; T58-L64 PolarHBondContact N-O 3.45Å; T58-L64 WeakPolarHBondContact O-CA 3.48Å; T58-L64 WeakPolarHBondContact O-CB 3.41Å; T58-L64 PolarHBondContact O-N 3.43Å; T58-R66 PolarHBondContact OG1-NH2 3.36Å |
| 59 | P | 86.4 | Confident | 87.8 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 6% | 0.058 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 125.6 | 172.2 | 27.1 | -26.9 | 0 | 0 | 0 | 109.3 | Q44 M47 D48 L51 D62 | Q44-P59 PolarHBondContact NE2-O 3.14Å; M47-P59 HydrophobicContact CB-CB 3.77Å; M47-P59 HydrophobicContact CB-CG 4.06Å; M47-P59 HydrophobicContact CE-CB 4.38Å; M47-P59 HydrophobicContact SD-CB 4.45Å; D48-P59 HydrophobicContact CB-CG 4.49Å; D48-P59 WeakPolarHBondContact OD1-CG 3.33Å; L51-P59 HydrophobicContact CD1-CB 3.94Å; L51-P59 HydrophobicContact CD1-CG 4.03Å; P59-D62 CarbonylContact C-O 3.54Å; P59-D62 WeakPolarHBondContact CA-O 3.37Å |
| 60 | Y | 83.6 | Confident | 88 | Confident | 148 Ų | 148 | 74.6 Ų | 74.6 | 58% | 0.58 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -145.2 | 87.4 | 176.7 | 178.8 | -100.4 | 0 | 0 | 0 | 108.4 | T58 D62 L64 | T58-Y60 PolarHBondContact O-N 3.16Å; Y60-D62 CarbonylContact C-O 3.4Å; Y60-D62 PolarHBondContact N-O 3.36Å; Y60-D62 PolarHBondContact O-N 3.43Å; Y60-L64 HydrophobicContact CD1-CD1 4.11Å; Y60-L64 HydrophobicContact CG-CD1 4.16Å |
| 61 | F | 79.8 | Confident | 88.4 | Confident | 121 Ų | 121 | 78.1 Ų | 78.1 | 53% | 0.531 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 59.6 | -46.9 | -164.7 | -63.6 | -80.8 | 0 | 0 | 0 | 114.5 | M1 | M1-F61 WeakPolarHBondContact CE-O 3.47Š|
| 62 | D | 82.2 | Confident | 88.6 | Confident | 124 Ų | 124 | 80.2 Ų | 80.2 | 66% | 0.663 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -119.7 | -176.7 | 167.3 | -69.8 | -45.2 | 0 | 0 | 0 | 110.1 | P59 Y60 | P59-D62 CarbonylContact C-O 3.54Å; P59-D62 WeakPolarHBondContact CA-O 3.37Å; Y60-D62 CarbonylContact C-O 3.4Å; Y60-D62 PolarHBondContact N-O 3.36Å; Y60-D62 PolarHBondContact O-N 3.43Å |
| 63 | I | 85.9 | Confident | 88.9 | Confident | 77 Ų | 77 | 77.3 Ų | 77.3 | 40% | 0.395 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.3 | 179.6 | -62.6 | 149.7 | 0 | 0 | 0 | 109.6 | L51 V57 I65 M80 | L51-I63 HydrophobicContact CD1-CG1 4.07Å; V57-I63 HydrophobicContact CG1-CG2 3.69Å; I63-I65 HydrophobicContact CG2-CG1 4.1Å; I63-M80 HydrophobicContact CD1-CE 3.34Å; I63-M80 HydrophobicContact CG1-CE 4.01Å; I63-M80 HydrophobicContact CG2-CE 4.08Å; I63-M80 HydrophobicContact CG2-SD 4.39Å |
| 64 | L | 90.4 | Very high | 89.3 | Confident | 85 Ų | 85 | 77.1 Ų | 77.1 | 45% | 0.445 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.9 | 171.6 | -58.9 | 179 | 0 | 0 | 0 | 110.3 | V57 T58 Y60 | V57-L64 CarbonylContact C-O 3.54Å; V57-L64 WeakPolarHBondContact CA-O 3.26Å; T58-L64 PolarHBondContact N-O 3.45Å; T58-L64 WeakPolarHBondContact O-CA 3.48Å; T58-L64 WeakPolarHBondContact O-CB 3.41Å; T58-L64 PolarHBondContact O-N 3.43Å; Y60-L64 HydrophobicContact CD1-CD1 4.11Å; Y60-L64 HydrophobicContact CG-CD1 4.16Å |
| 65 | I | 91.3 | Very high | 89.6 | Confident | 46 Ų | 46 | 79.5 Ų | 79.5 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.2 | 176.2 | -50.1 | -178.9 | 0 | 0 | 0 | 108.2 | V57 I63 L73 R76 M80 | V57-I65 HydrophobicContact CG2-CG1 4.3Å; V57-I65 HydrophobicContact CG2-CG2 4.49Å; I63-I65 HydrophobicContact CG2-CG1 4.1Å; I65-L73 HydrophobicContact CB-CD1 4.12Å; I65-L73 HydrophobicContact CG2-CD1 3.79Å; I65-R76 HydrophobicContact CG2-CB 3.67Å; I65-M80 HydrophobicContact CD1-CB 4.13Å; I65-M80 HydrophobicContact CD1-CG 4.32Å |
| 66 | R | 91.3 | Very high | 89.9 | Confident | 160 Ų | 160 | 78 Ų | 78 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | trans | -99.1 | 146.1 | 176.7 | -66.2 | 179.3 | -74.2 | 152.3 | -5.9 | 109.4 | G56 T58 R76 | G56-R66 PolarHBondContact O-N 3.38Å; T58-R66 PolarHBondContact OG1-NH2 3.36Å; R66-R76 WeakPolarHBondContact O-CD 3.37Å; R66-R76 PolarHBondContact O-NH1 2.7Å | ||
| 67 | A | 92.7 | Very high | 90.1 | Very high | 40 Ų | 40 | 79.8 Ų | 79.8 | 33% | 0.331 | 44% | 0.436 | S | S | . | . | trans | -158.1 | 153.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E72 L73 | A67-E72 HydrophobicContact CB-CB 4.01Å; A67-E72 HydrophobicContact CB-CG 3.82Å; A67-L73 HydrophobicContact CB-CB 3.73Å; A67-L73 HydrophobicContact CB-CD1 4.25Å | ||
| 68 | A | 93.1 | Very high | 90.1 | Very high | 97 Ų | 97 | 82.5 Ų | 82.5 | 80% | 0.802 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -83.3 | -25.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | E72 | A68-E72 PolarHBondContact N-OE2 3.23Š|
| 69 | T | 94.5 | Very high | 90.1 | Very high | 75 Ų | 75 | 83.6 Ų | 83.6 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -131.1 | 154.2 | -179 | 63.2 | 0 | 0 | 0 | 0 | 111 | Q71 E72 L73 | T69-Q71 PolarHBondContact O-N 2.95Å; T69-E72 PolarHBondContact O-N 2.94Å; T69-E72 VanDerWaalsContact OG1-CB 3.3Å; T69-E72 WeakPolarHBondContact OG1-CB 3.33Å; T69-E72 PolarHBondContact OG1-N 2.97Å; T69-L73 PolarHBondContact O-N 3.39Å |
| 70 | S | 93.5 | Very high | 90.2 | Very high | 96 Ų | 96 | 84.1 Ų | 84.1 | 67% | 0.671 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.1 | -32.7 | 178.1 | -55 | 0 | 0 | 0 | 0 | 112.6 | L73 A74 | S70-L73 PolarHBondContact O-N 3.21Å; S70-A74 WeakPolarHBondContact O-CB 3.44Å; S70-A74 PolarHBondContact O-N 2.88Å |
| 71 | Q | 93.3 | Very high | 90.5 | Very high | 145 Ų | 145 | 84.8 Ų | 84.8 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 177.1 | -65.4 | 84 | -17 | 0 | 0 | 111.1 | T69 L73 A74 C75 | T69-Q71 PolarHBondContact O-N 2.95Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; Q71-A74 PolarHBondContact O-N 3.36Å; Q71-C75 WeakPolarHBondContact O-CB 3.36Å; Q71-C75 PolarHBondContact O-N 3.21Å |
| 72 | E | 92.4 | Very high | 91 | Very high | 62 Ų | 62 | 84 Ų | 84 | 29% | 0.29 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 174.8 | 179.4 | 179.4 | -145.8 | 0 | 0 | 111.4 | A67 A68 T69 C75 R76 | A67-E72 HydrophobicContact CB-CB 4.01Å; A67-E72 HydrophobicContact CB-CG 3.82Å; A68-E72 PolarHBondContact N-OE2 3.23Å; T69-E72 PolarHBondContact O-N 2.94Å; T69-E72 VanDerWaalsContact OG1-CB 3.3Å; T69-E72 WeakPolarHBondContact OG1-CB 3.33Å; T69-E72 PolarHBondContact OG1-N 2.97Å; E72-C75 PolarHBondContact O-N 3.49Å; E72-R76 WeakPolarHBondContact O-CG 3.49Å; E72-R76 PolarHBondContact O-N 2.96Å; E72-R76 IonicContact OE1-CZ 3.11Å; E72-R76 IonicContact OE1-NE 3.48Å; E72-R76 PolarHBondContact OE1-NE 3.43Å; E72-R76 IonicContact OE1-NH1 3.87Å; E72-R76 IonicContact OE1-NH2 2.6Å; E72-R76 PolarHBondContact OE1-NH2 3.24Å |
| 73 | L | 92.8 | Very high | 91.2 | Very high | 70 Ų | 70 | 81.1 Ų | 81.1 | 37% | 0.366 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 174.7 | -174.8 | 58.6 | 0 | 0 | 0 | 111.1 | I65 A67 T69 S70 Q71 C75 R76 C77 | I65-L73 HydrophobicContact CB-CD1 4.12Å; I65-L73 HydrophobicContact CG2-CD1 3.79Å; A67-L73 HydrophobicContact CB-CB 3.73Å; A67-L73 HydrophobicContact CB-CD1 4.25Å; T69-L73 PolarHBondContact O-N 3.39Å; S70-L73 PolarHBondContact O-N 3.21Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; L73-C75 VanDerWaalsContact C-N 3.33Å; L73-C75 PolarHBondContact O-N 3Å; L73-R76 PolarHBondContact O-N 3.19Å; L73-C77 WeakPolarHBondContact O-CB 3.5Å; L73-C77 PolarHBondContact O-N 3.11Å; L73-C77 PolarHBondContact O-SG 2.95Å |
| 74 | A | 93.3 | Very high | 91.1 | Very high | 63 Ų | 63 | 80.8 Ų | 80.8 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | S70 Q71 C77 E78 | S70-A74 WeakPolarHBondContact O-CB 3.44Å; S70-A74 PolarHBondContact O-N 2.88Å; Q71-A74 PolarHBondContact O-N 3.36Å; A74-C77 PolarHBondContact O-N 3.22Å; A74-E78 PolarHBondContact O-N 3.34Å |
| 75 | C | 91.7 | Very high | 91 | Very high | 82 Ų | 82 | 79.2 Ų | 79.2 | 55% | 0.554 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | Q71 E72 L73 C77 E78 V79 | Q71-C75 WeakPolarHBondContact O-CB 3.36Å; Q71-C75 PolarHBondContact O-N 3.21Å; E72-C75 PolarHBondContact O-N 3.49Å; L73-C75 VanDerWaalsContact C-N 3.33Å; L73-C75 PolarHBondContact O-N 3Å; C75-C77 PolarHBondContact O-N 2.83Å; C75-E78 PolarHBondContact O-N 2.88Å; C75-V79 WeakPolarHBondContact O-CG2 3.46Å; C75-V79 PolarHBondContact O-N 2.95Å; C75-V79 VanDerWaalsContact O-N 3.09Å |
| 76 | R | 91.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 82.5 Ų | 82.5 | 22% | 0.219 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 178.3 | -69.8 | 175.9 | -177.2 | -167.7 | -7.2 | 112.3 | P55 G56 I65 R66 E72 L73 E78 V79 M80 | P55-R76 WeakPolarHBondContact O-CD 3.39Å; P55-R76 PolarHBondContact O-NE 2.73Å; G56-R76 VanDerWaalsContact CA-NH1 3.28Å; I65-R76 HydrophobicContact CG2-CB 3.67Å; R66-R76 WeakPolarHBondContact O-CD 3.37Å; R66-R76 PolarHBondContact O-NH1 2.7Å; E72-R76 WeakPolarHBondContact O-CG 3.49Å; E72-R76 PolarHBondContact O-N 2.96Å; E72-R76 IonicContact OE1-CZ 3.11Å; E72-R76 IonicContact OE1-NE 3.48Å; E72-R76 PolarHBondContact OE1-NE 3.43Å; E72-R76 IonicContact OE1-NH1 3.87Å; E72-R76 IonicContact OE1-NH2 2.6Å; E72-R76 PolarHBondContact OE1-NH2 3.24Å; L73-R76 PolarHBondContact O-N 3.19Å; R76-E78 PolarHBondContact O-N 2.98Å; R76-V79 PolarHBondContact O-N 3.28Å; R76-M80 PolarHBondContact O-N 3.17Å |
| 77 | C | 90.8 | Very high | 90.2 | Very high | 56 Ų | 56 | 77 Ų | 77 | 38% | 0.378 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 174.3 | -74 | 0 | 0 | 0 | 0 | 112.2 | L73 A74 C75 M80 R81 | L73-C77 WeakPolarHBondContact O-CB 3.5Å; L73-C77 PolarHBondContact O-N 3.11Å; L73-C77 PolarHBondContact O-SG 2.95Å; A74-C77 PolarHBondContact O-N 3.22Å; C75-C77 PolarHBondContact O-N 2.83Å; C77-M80 PolarHBondContact O-N 3.48Å; C77-R81 PolarHBondContact O-N 2.65Å |
| 78 | E | 91.5 | Very high | 89.2 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 177.9 | -177.3 | 55.9 | -156.6 | 0 | 0 | 111.9 | A74 C75 R76 M80 R81 Q82 | A74-E78 PolarHBondContact O-N 3.34Å; C75-E78 PolarHBondContact O-N 2.88Å; R76-E78 PolarHBondContact O-N 2.98Å; E78-M80 VanDerWaalsContact C-N 3.31Å; E78-M80 PolarHBondContact O-N 3.33Å; E78-R81 WeakPolarHBondContact O-CB 3.35Å; E78-R81 PolarHBondContact O-N 2.81Å; E78-R81 IonicContact OE1-CZ 3.82Å; E78-R81 IonicContact OE1-NE 2.91Å; E78-R81 PolarHBondContact OE1-NE 3.43Å; E78-R81 IonicContact OE1-NH2 3.85Å; E78-R81 PolarHBondContact OE1-NH2 3.35Å; E78-R81 VanDerWaalsContact OE1-NH2 3.13Å; E78-R81 IonicContact OE2-CZ 3.73Å; E78-R81 IonicContact OE2-NE 3.39Å; E78-R81 PolarHBondContact OE2-NE 3.43Å; E78-R81 IonicContact OE2-NH2 3.13Å; E78-Q82 WeakPolarHBondContact O-CG 3.43Å; E78-Q82 PolarHBondContact O-N 3.48Å; E78-Q82 PolarHBondContact OE1-NE2 3.38Å |
| 79 | V | 90.1 | Very high | 88.3 | Confident | 70 Ų | 70 | 82.9 Ų | 82.9 | 42% | 0.424 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.1 | -46 | 172.5 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | C75 R76 R81 Q82 M83 | C75-V79 WeakPolarHBondContact O-CG2 3.46Å; C75-V79 PolarHBondContact O-N 2.95Å; C75-V79 VanDerWaalsContact O-N 3.09Å; R76-V79 PolarHBondContact O-N 3.28Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 3.41Å; V79-Q82 PolarHBondContact O-N 3.29Å; V79-M83 WeakPolarHBondContact O-CB 3.3Å; V79-M83 PolarHBondContact O-N 2.95Å |
| 80 | M | 88.8 | Confident | 87.3 | Confident | 19 Ų | 19 | 82 Ų | 82 | 9% | 0.094 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 177.1 | -168 | 64.1 | -165.8 | 0 | 0 | 111.8 | L51 I63 I65 R76 C77 E78 Q82 M83 C84 | L51-M80 HydrophobicContact CD1-CE 4.34Å; L51-M80 HydrophobicContact CD2-CE 3.6Å; L51-M80 HydrophobicContact CD2-SD 4.12Å; I63-M80 HydrophobicContact CD1-CE 3.34Å; I63-M80 HydrophobicContact CG1-CE 4.01Å; I63-M80 HydrophobicContact CG2-CE 4.08Å; I63-M80 HydrophobicContact CG2-SD 4.39Å; I65-M80 HydrophobicContact CD1-CB 4.13Å; I65-M80 HydrophobicContact CD1-CG 4.32Å; R76-M80 PolarHBondContact O-N 3.17Å; C77-M80 PolarHBondContact O-N 3.48Å; E78-M80 VanDerWaalsContact C-N 3.31Å; E78-M80 PolarHBondContact O-N 3.33Å; M80-Q82 PolarHBondContact O-N 2.96Å; M80-M83 HydrophobicContact CE-CE 3.98Å; M80-M83 PolarHBondContact O-N 2.6Å; M80-M83 HydrophobicContact SD-CE 3.54Å; M80-M83 VanDerWaalsContact SD-CE 3.54Å; M80-C84 PolarHBondContact O-N 3.06Å; M80-C84 PolarHBondContact O-SG 3.43Å |
| 81 | R | 90 | Very high | 85.9 | Confident | 162 Ų | 162 | 80 Ų | 80 | 61% | 0.611 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 177.6 | -161.3 | -176.1 | 78.5 | 90.4 | 4.9 | 112 | C77 E78 V79 A85 | C77-R81 PolarHBondContact O-N 2.65Å; E78-R81 WeakPolarHBondContact O-CB 3.35Å; E78-R81 PolarHBondContact O-N 2.81Å; E78-R81 IonicContact OE1-CZ 3.82Å; E78-R81 IonicContact OE1-NE 2.91Å; E78-R81 PolarHBondContact OE1-NE 3.43Å; E78-R81 IonicContact OE1-NH2 3.85Å; E78-R81 PolarHBondContact OE1-NH2 3.35Å; E78-R81 VanDerWaalsContact OE1-NH2 3.13Å; E78-R81 IonicContact OE2-CZ 3.73Å; E78-R81 IonicContact OE2-NE 3.39Å; E78-R81 PolarHBondContact OE2-NE 3.43Å; E78-R81 IonicContact OE2-NH2 3.13Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 3.41Å; R81-A85 PolarHBondContact O-N 3.19Å; R81-A85 VanDerWaalsContact O-N 3.11Å |
| 82 | Q | 89.6 | Confident | 84.4 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 50% | 0.495 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.9 | -69.5 | 174.9 | 10.3 | 0 | 0 | 111.5 | E78 V79 M80 C84 A85 L86 | E78-Q82 WeakPolarHBondContact O-CG 3.43Å; E78-Q82 PolarHBondContact O-N 3.48Å; E78-Q82 PolarHBondContact OE1-NE2 3.38Å; V79-Q82 PolarHBondContact O-N 3.29Å; M80-Q82 PolarHBondContact O-N 2.96Å; Q82-C84 PolarHBondContact O-N 3.47Å; Q82-A85 PolarHBondContact O-N 3.13Å; Q82-L86 WeakPolarHBondContact O-CG 3.46Å; Q82-L86 PolarHBondContact O-N 3.39Å |
| 83 | M | 85.9 | Confident | 82.8 | Confident | 63 Ų | 63 | 78.3 Ų | 78.3 | 31% | 0.31 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 177.8 | -165.1 | 166.6 | 70.3 | 0 | 0 | 111.9 | L51 V54 V79 M80 A85 L86 G87 | L51-M83 HydrophobicContact CD2-CE 3.24Å; V54-M83 HydrophobicContact CG2-CE 4.09Å; V54-M83 HydrophobicContact CG2-SD 4.14Å; V79-M83 WeakPolarHBondContact O-CB 3.3Å; V79-M83 PolarHBondContact O-N 2.95Å; M80-M83 HydrophobicContact CE-CE 3.98Å; M80-M83 PolarHBondContact O-N 2.6Å; M80-M83 HydrophobicContact SD-CE 3.54Å; M80-M83 VanDerWaalsContact SD-CE 3.54Å; M83-A85 VanDerWaalsContact C-N 3.31Å; M83-A85 PolarHBondContact O-N 3.09Å; M83-L86 PolarHBondContact O-N 3.49Å; M83-G87 PolarHBondContact O-N 3.24Å |
| 84 | C | 84.6 | Confident | 81.1 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 47% | 0.473 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 174.1 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | M80 Q82 N88 | M80-C84 PolarHBondContact O-N 3.06Å; M80-C84 PolarHBondContact O-SG 3.43Å; Q82-C84 PolarHBondContact O-N 3.47Å; C84-N88 PolarHBondContact O-N 3.33Å |
| 85 | A | 88.5 | Confident | 79.2 | Confident | 51 Ų | 51 | 83.7 Ų | 83.7 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R81 Q82 M83 K89 | R81-A85 PolarHBondContact O-N 3.19Å; R81-A85 VanDerWaalsContact O-N 3.11Å; Q82-A85 PolarHBondContact O-N 3.13Å; M83-A85 VanDerWaalsContact C-N 3.31Å; M83-A85 PolarHBondContact O-N 3.09Å; A85-K89 WeakPolarHBondContact O-CG 3.39Å; A85-K89 PolarHBondContact O-N 2.93Å |
| 86 | L | 85.8 | Confident | 76.9 | Confident | 116 Ų | 116 | 88.4 Ų | 88.4 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71 | -44.2 | 176 | -69.9 | 169.3 | 0 | 0 | 0 | 111.8 | Q82 M83 N88 K89 A90 | Q82-L86 WeakPolarHBondContact O-CG 3.46Å; Q82-L86 PolarHBondContact O-N 3.39Å; M83-L86 PolarHBondContact O-N 3.49Å; L86-N88 VanDerWaalsContact C-N 3.31Å; L86-N88 PolarHBondContact O-N 2.91Å; L86-K89 PolarHBondContact O-N 2.87Å; L86-K89 VanDerWaalsContact O-N 3.14Å; L86-A90 PolarHBondContact O-N 3.3Å; L86-A90 VanDerWaalsContact O-N 3.13Å |
| 87 | G | 79.4 | Confident | 76.1 | Confident | 44 Ų | 44 | 89.9 Ų | 89.9 | 45% | 0.454 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M83 K89 A90 A91 | M83-G87 PolarHBondContact O-N 3.24Å; G87-K89 VanDerWaalsContact C-N 3.35Å; G87-K89 PolarHBondContact O-N 2.97Å; G87-A90 PolarHBondContact O-N 3.25Å; G87-A91 PolarHBondContact O-N 3.41Å; G87-A91 VanDerWaalsContact O-N 3.12Å |
| 88 | N | 72.9 | Confident | 75.4 | Confident | 112 Ų | 112 | 91.7 Ų | 91.7 | 60% | 0.599 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -35.4 | 177.7 | -162.8 | 20.6 | 0 | 0 | 0 | 112.4 | C84 L86 A91 V92 | C84-N88 PolarHBondContact O-N 3.33Å; L86-N88 VanDerWaalsContact C-N 3.31Å; L86-N88 PolarHBondContact O-N 2.91Å; N88-A91 PolarHBondContact O-N 2.87Å; N88-V92 WeakPolarHBondContact O-CG2 3.46Å; N88-V92 PolarHBondContact O-N 3.3Å; N88-V92 VanDerWaalsContact O-N 3.16Å |
| 89 | K | 73.6 | Confident | 74.5 | Confident | 149 Ų | 149 | 92.8 Ų | 92.8 | 65% | 0.648 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -41.2 | 176.4 | -71.3 | 175.3 | -176.2 | -176.8 | 0 | 112.1 | A85 L86 G87 A91 V92 S93 | A85-K89 WeakPolarHBondContact O-CG 3.39Å; A85-K89 PolarHBondContact O-N 2.93Å; L86-K89 PolarHBondContact O-N 2.87Å; L86-K89 VanDerWaalsContact O-N 3.14Å; G87-K89 VanDerWaalsContact C-N 3.35Å; G87-K89 PolarHBondContact O-N 2.97Å; K89-A91 VanDerWaalsContact C-N 3.35Å; K89-V92 PolarHBondContact O-N 3.22Å; K89-S93 PolarHBondContact O-N 3Å |
| 90 | A | 72.1 | Confident | 73.5 | Confident | 56 Ų | 56 | 94.1 Ų | 94.1 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L86 G87 S93 S94 | L86-A90 PolarHBondContact O-N 3.3Å; L86-A90 VanDerWaalsContact O-N 3.13Å; G87-A90 PolarHBondContact O-N 3.25Å; A90-S93 PolarHBondContact O-OG 3.43Å; A90-S93 VanDerWaalsContact O-OG 3.11Å; A90-S94 PolarHBondContact O-OG 3.33Å; A90-S94 VanDerWaalsContact O-OG 3.13Å |
| 91 | A | 65.7 | Low | 72.6 | Confident | 54 Ų | 54 | 98.8 Ų | 98.8 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.8 | -35.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G87 N88 K89 | G87-A91 PolarHBondContact O-N 3.41Å; G87-A91 VanDerWaalsContact O-N 3.12Å; N88-A91 PolarHBondContact O-N 2.87Å; K89-A91 VanDerWaalsContact C-N 3.35Å |
| 92 | V | 60.7 | Low | 71.4 | Confident | 89 Ų | 89 | 94.6 Ų | 94.6 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.9 | -37.4 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 112.1 | N88 K89 S94 N95 | N88-V92 WeakPolarHBondContact O-CG2 3.46Å; N88-V92 PolarHBondContact O-N 3.3Å; N88-V92 VanDerWaalsContact O-N 3.16Å; K89-V92 PolarHBondContact O-N 3.22Å; V92-S94 VanDerWaalsContact C-N 3.25Å; V92-S94 PolarHBondContact O-N 3.4Å; V92-N95 PolarHBondContact O-N 2.95Å |
| 93 | S | 59.3 | Low | 70.1 | Confident | 83 Ų | 83 | 93.8 Ų | 93.8 | 58% | 0.58 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.3 | -20.4 | -179.4 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | K89 A90 | K89-S93 PolarHBondContact O-N 3Å; A90-S93 PolarHBondContact O-OG 3.43Å; A90-S93 VanDerWaalsContact O-OG 3.11Å |
| 94 | S | 56.3 | Low | 68.9 | Low | 95 Ų | 95 | 96.2 Ų | 96.2 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -10.9 | 178.9 | -52.8 | 0 | 0 | 0 | 0 | 113.1 | A90 V92 | A90-S94 PolarHBondContact O-OG 3.33Å; A90-S94 VanDerWaalsContact O-OG 3.13Å; V92-S94 VanDerWaalsContact C-N 3.25Å; V92-S94 PolarHBondContact O-N 3.4Å |
| 95 | N | 54 | Low | 67.6 | Low | 151 Ų | 151 | 98.3 Ų | 98.3 | 81% | 0.807 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 10.1 | -178.1 | -91.2 | -30 | 0 | 0 | 0 | 113.9 | V92 | V92-N95 PolarHBondContact O-N 2.95Š|
| 96 | T | 42.9 | Very low | 65.7 | Low | 180 Ų | 180 | 102.6 Ų | 102.6 | 100% | 1.104 | 63% | 0.628 | S | S | * | * | trans | -112.9 | 0 | 171.3 | -45.1 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 96 of 96 residues in 30.1 ms
(Link to these results)