| 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 | 57.6 | Low | 84.3 | Confident | 206 Ų | 206 | 87.3 Ų | 87.3 | 100% | 1.015 | 49% | 0.494 | S | S | * | . | 0 | -51.3 | 0 | -63.9 | -173.7 | 90.6 | 0 | 0 | 111.5 | A3 D4 V5 | M1-A3 PolarHBondContact O-N 3.31Å; M1-D4 WeakPolarHBondContact O-CB 3.25Å; M1-D4 PolarHBondContact O-N 3.21Å; M1-D4 VanDerWaalsContact O-N 3.16Å; M1-V5 PolarHBondContact O-N 3.27Å | |||
| 2 | A | 62.2 | Low | 85.3 | Confident | 83 Ų | 83 | 84.2 Ų | 84.2 | 69% | 0.686 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.2 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D4 V5 E6 | A2-D4 PolarHBondContact O-N 3.22Å; A2-V5 PolarHBondContact O-N 3.4Å; A2-V5 VanDerWaalsContact O-N 3.11Å; A2-E6 PolarHBondContact O-N 3.45Å |
| 3 | A | 69 | Low | 86.2 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 57% | 0.57 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.5 | -33 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 Q7 | M1-A3 PolarHBondContact O-N 3.31Å; A3-Q7 VanDerWaalsContact O-CB 3.24Å; A3-Q7 WeakPolarHBondContact O-CB 3.33Å; A3-Q7 PolarHBondContact O-N 3.18Å |
| 4 | D | 83.3 | Confident | 87 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 60% | 0.599 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.6 | -38 | 178 | -171.6 | 33.3 | 0 | 0 | 0 | 111.3 | M1 A2 T8 | M1-D4 WeakPolarHBondContact O-CB 3.25Å; M1-D4 PolarHBondContact O-N 3.21Å; M1-D4 VanDerWaalsContact O-N 3.16Å; A2-D4 PolarHBondContact O-N 3.22Å; D4-T8 VanDerWaalsContact O-CB 3.27Å; D4-T8 WeakPolarHBondContact O-CB 3.36Å; D4-T8 PolarHBondContact O-N 3.16Å; D4-T8 PolarHBondContact O-OG1 3.01Å |
| 5 | V | 88.4 | Confident | 87.7 | Confident | 95 Ų | 95 | 78.2 Ų | 78.2 | 58% | 0.576 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.5 | -47.5 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 111 | M1 A2 Q7 T8 L9 | M1-V5 PolarHBondContact O-N 3.27Å; A2-V5 PolarHBondContact O-N 3.4Å; A2-V5 VanDerWaalsContact O-N 3.11Å; V5-Q7 PolarHBondContact O-N 2.97Å; V5-T8 PolarHBondContact O-N 2.86Å; V5-L9 WeakPolarHBondContact O-CB 3.37Å; V5-L9 PolarHBondContact O-N 3.04Å |
| 6 | E | 90.5 | Very high | 88.3 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 33% | 0.327 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 176.9 | -176.5 | -167.2 | 149.2 | 0 | 0 | 110.9 | A2 L9 C10 K76 | A2-E6 PolarHBondContact O-N 3.45Å; E6-L9 PolarHBondContact O-N 3.12Å; E6-C10 WeakPolarHBondContact O-CB 3.17Å; E6-C10 PolarHBondContact O-N 3.21Å; E6-C10 PolarHBondContact O-SG 3.41Å; E6-K76 WeakPolarHBondContact OE1-CE 3Å; E6-K76 IonicContact OE1-NZ 3.96Å; E6-K76 PolarHBondContact OE1-NZ 3.46Å |
| 7 | Q | 92.4 | Very high | 88.8 | Confident | 124 Ų | 124 | 78.7 Ų | 78.7 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | -179.3 | -171.9 | 155.3 | 5 | 0 | 0 | 111.4 | A3 V5 L9 C10 E11 | A3-Q7 VanDerWaalsContact O-CB 3.24Å; A3-Q7 WeakPolarHBondContact O-CB 3.33Å; A3-Q7 PolarHBondContact O-N 3.18Å; V5-Q7 PolarHBondContact O-N 2.97Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.07Å; Q7-C10 PolarHBondContact O-N 2.84Å; Q7-E11 WeakPolarHBondContact O-CB 3.36Å; Q7-E11 WeakPolarHBondContact O-CG 3.37Å; Q7-E11 PolarHBondContact O-N 3Å |
| 8 | T | 94.4 | Very high | 89.3 | Confident | 83 Ų | 83 | 74.5 Ų | 74.5 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 174.9 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | D4 V5 F12 | D4-T8 VanDerWaalsContact O-CB 3.27Å; D4-T8 WeakPolarHBondContact O-CB 3.36Å; D4-T8 PolarHBondContact O-N 3.16Å; D4-T8 PolarHBondContact O-OG1 3.01Å; V5-T8 PolarHBondContact O-N 2.86Å; T8-F12 WeakPolarHBondContact O-CB 3.32Å; T8-F12 PolarHBondContact O-N 2.87Å; T8-F12 VanDerWaalsContact O-N 3.11Å |
| 9 | L | 96.1 | Very high | 89.7 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 176.1 | 177.8 | 60.5 | 0 | 0 | 0 | 110.9 | V5 E6 Q7 E11 F12 L13 V38 F40 E49 L51 | V5-L9 WeakPolarHBondContact O-CB 3.37Å; V5-L9 PolarHBondContact O-N 3.04Å; E6-L9 PolarHBondContact O-N 3.12Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.07Å; L9-E11 PolarHBondContact O-N 2.98Å; L9-F12 WeakPolarHBondContact O-CB 3.44Å; L9-F12 PolarHBondContact O-N 3.14Å; L9-F12 VanDerWaalsContact O-N 3.12Å; L9-L13 HydrophobicContact CD1-CD1 4.26Å; L9-L13 HydrophobicContact CD1-CD2 4.37Å; L9-L13 HydrophobicContact CD1-CG 4.16Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 HydrophobicContact CG-CG 4.39Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 2.81Å; L9-V38 HydrophobicContact CD1-CG2 4.23Å; L9-V38 HydrophobicContact CD2-CG2 4.09Å; L9-F40 HydrophobicContact CD1-CE1 3.56Å; L9-F40 HydrophobicContact CD1-CZ 3.73Å; L9-E49 HydrophobicContact CD1-CB 4.44Å; L9-E49 HydrophobicContact CD2-CB 3.85Å; L9-L51 HydrophobicContact CD2-CD1 4.22Å |
| 10 | C | 96.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 68.7 Ų | 68.7 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | -179.9 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | E6 Q7 F12 L13 K14 K76 I78 | E6-C10 WeakPolarHBondContact O-CB 3.17Å; E6-C10 PolarHBondContact O-N 3.21Å; E6-C10 PolarHBondContact O-SG 3.41Å; Q7-C10 PolarHBondContact O-N 2.84Å; C10-F12 VanDerWaalsContact C-N 3.27Å; C10-F12 PolarHBondContact O-N 2.82Å; C10-L13 PolarHBondContact O-N 3.17Å; C10-L13 VanDerWaalsContact O-N 3.11Å; C10-K14 WeakPolarHBondContact O-CG 3.11Å; C10-K14 PolarHBondContact O-N 3.36Å; C10-K76 HydrophobicContact CB-CB 4.36Å; C10-I78 HydrophobicContact CB-CD1 4.06Å |
| 11 | E | 96.4 | Very high | 90.4 | Very high | 92 Ų | 92 | 68.5 Ų | 68.5 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 175.5 | -72 | -58.7 | 143.8 | 0 | 0 | 112.2 | Q7 L9 K14 | Q7-E11 WeakPolarHBondContact O-CB 3.36Å; Q7-E11 WeakPolarHBondContact O-CG 3.37Å; Q7-E11 PolarHBondContact O-N 3Å; L9-E11 PolarHBondContact O-N 2.98Å; E11-K14 WeakPolarHBondContact O-CB 3.41Å; E11-K14 PolarHBondContact O-N 3.23Å; E11-K14 IonicContact OE1-NZ 3.71Å; E11-K14 PolarHBondContact OE1-NZ 3.02Å; E11-K14 IonicContact OE2-NZ 3.12Å |
| 12 | F | 96.5 | Very high | 92.2 | Very high | 50 Ų | 50 | 58.9 Ų | 58.9 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 174.7 | -178.2 | -94.8 | 0 | 0 | 0 | 112.4 | T8 L9 C10 K14 T15 T16 F40 K42 | T8-F12 WeakPolarHBondContact O-CB 3.32Å; T8-F12 PolarHBondContact O-N 2.87Å; T8-F12 VanDerWaalsContact O-N 3.11Å; L9-F12 WeakPolarHBondContact O-CB 3.44Å; L9-F12 PolarHBondContact O-N 3.14Å; L9-F12 VanDerWaalsContact O-N 3.12Å; C10-F12 VanDerWaalsContact C-N 3.27Å; C10-F12 PolarHBondContact O-N 2.82Å; F12-K14 VanDerWaalsContact C-N 3.28Å; F12-K14 PolarHBondContact O-N 2.86Å; F12-T15 PolarHBondContact O-N 3.2Å; F12-T15 PolarHBondContact O-OG1 2.91Å; F12-T16 HydrophobicContact CE1-CG2 3.71Å; F12-T16 HydrophobicContact CZ-CG2 3.77Å; F12-T16 WeakPolarHBondContact CZ-OG1 3.35Å; F12-T16 WeakPolarHBondContact O-CB 3.22Å; F12-T16 PolarHBondContact O-N 2.92Å; F12-T16 VanDerWaalsContact O-N 3.17Å; F12-T16 PolarHBondContact O-OG1 3.34Å; F12-F40 HydrophobicContact CD1-CD2 4.05Å; F12-F40 AromaticContact CD1-CE2 3.97Å; F12-F40 HydrophobicContact CD1-CE2 3.97Å; F12-F40 HydrophobicContact CD1-CG 4.45Å; F12-F40 HydrophobicContact CD1-CZ 4.35Å; F12-F40 HydrophobicContact CE1-CB 4.36Å; F12-F40 AromaticContact CE1-CD2 3.26Å; F12-F40 HydrophobicContact CE1-CD2 3.26Å; F12-F40 AromaticContact CE1-CE2 3.54Å; F12-F40 HydrophobicContact CE1-CE2 3.54Å; F12-F40 AromaticContact CE1-CG 3.82Å; F12-F40 HydrophobicContact CE1-CG 3.82Å; F12-F40 HydrophobicContact CE1-CZ 4.32Å; F12-F40 AromaticContact CZ-CD2 3.98Å; F12-F40 HydrophobicContact CZ-CD2 3.98Å; F12-F40 HydrophobicContact CZ-CE2 4.24Å; F12-K42 HydrophobicContact CE2-CD 4.46Å; F12-K42 HydrophobicContact CE2-CG 4.45Å; F12-K42 HydrophobicContact CZ-CB 4.29Å; F12-K42 HydrophobicContact CZ-CD 4.49Å; F12-K42 HydrophobicContact CZ-CG 4.34Å |
| 13 | L | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.6 | -22.2 | 179.3 | -62.6 | 176.5 | 0 | 0 | 0 | 113.2 | L9 C10 T15 F18 V38 F40 L51 I78 N82 | L9-L13 HydrophobicContact CD1-CD1 4.26Å; L9-L13 HydrophobicContact CD1-CD2 4.37Å; L9-L13 HydrophobicContact CD1-CG 4.16Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 HydrophobicContact CG-CG 4.39Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 2.81Å; C10-L13 PolarHBondContact O-N 3.17Å; C10-L13 VanDerWaalsContact O-N 3.11Å; L13-T15 PolarHBondContact O-N 3.38Å; L13-F18 HydrophobicContact CB-CD1 4.14Å; L13-F18 HydrophobicContact CB-CE1 3.75Å; L13-F18 HydrophobicContact CB-CZ 4.31Å; L13-F18 HydrophobicContact CD1-CZ 4.48Å; L13-F18 HydrophobicContact CD2-CB 4.04Å; L13-F18 HydrophobicContact CD2-CD1 3.55Å; L13-F18 HydrophobicContact CD2-CD2 4.33Å; L13-F18 HydrophobicContact CD2-CE1 3.97Å; L13-F18 HydrophobicContact CD2-CG 3.74Å; L13-F18 HydrophobicContact CD2-CZ 4.49Å; L13-F18 HydrophobicContact CG-CD1 4.34Å; L13-F18 HydrophobicContact CG-CE1 4.29Å; L13-V38 HydrophobicContact CD1-CB 4.43Å; L13-V38 HydrophobicContact CD1-CG1 3.93Å; L13-V38 HydrophobicContact CD1-CG2 4.19Å; L13-V38 HydrophobicContact CD2-CB 4.38Å; L13-V38 HydrophobicContact CD2-CG1 4.5Å; L13-V38 HydrophobicContact CD2-CG2 4.41Å; L13-F40 HydrophobicContact CD2-CD1 3.92Å; L13-F40 HydrophobicContact CD2-CE1 4.31Å; L13-L51 HydrophobicContact CD1-CD1 3.61Å; L13-I78 HydrophobicContact CB-CD1 4.24Å; L13-I78 HydrophobicContact CB-CG2 4.17Å; L13-I78 HydrophobicContact CD1-CD1 4.32Å; L13-N82 PolarHBondContact O-ND2 3.38Å |
| 14 | K | 97.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 19% | 0.191 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -31.7 | 171.9 | -68.9 | 179.7 | -178.2 | -179.9 | 0 | 112.6 | C10 E11 F12 K76 E77 I78 N82 | C10-K14 WeakPolarHBondContact O-CG 3.11Å; C10-K14 PolarHBondContact O-N 3.36Å; E11-K14 WeakPolarHBondContact O-CB 3.41Å; E11-K14 PolarHBondContact O-N 3.23Å; E11-K14 IonicContact OE1-NZ 3.71Å; E11-K14 PolarHBondContact OE1-NZ 3.02Å; E11-K14 IonicContact OE2-NZ 3.12Å; F12-K14 VanDerWaalsContact C-N 3.28Å; F12-K14 PolarHBondContact O-N 2.86Å; K14-K76 WeakPolarHBondContact CE-O 3.35Å; K14-K76 PolarHBondContact NZ-O 3.12Å; K14-E77 IonicContact NZ-OE2 3.19Å; K14-E77 PolarHBondContact NZ-OE2 3.32Å; K14-E77 VanDerWaalsContact NZ-OE2 3.12Å; K14-I78 HydrophobicContact CG-CG1 4.21Å; K14-N82 VanDerWaalsContact C-ND2 3.34Å; K14-N82 PolarHBondContact O-ND2 2.84Å |
| 15 | T | 96.8 | Very high | 95.1 | Very high | 119 Ų | 119 | 54.7 Ų | 54.7 | 73% | 0.73 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -112.3 | -4.4 | -171.7 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | F12 L13 | F12-T15 PolarHBondContact O-N 3.2Å; F12-T15 PolarHBondContact O-OG1 2.91Å; L13-T15 PolarHBondContact O-N 3.38Å |
| 16 | T | 96.7 | Very high | 95.1 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -126 | 144.7 | -173.4 | -51 | 0 | 0 | 0 | 0 | 110.8 | F12 F18 | F12-T16 HydrophobicContact CE1-CG2 3.71Å; F12-T16 HydrophobicContact CZ-CG2 3.77Å; F12-T16 WeakPolarHBondContact CZ-OG1 3.35Å; F12-T16 WeakPolarHBondContact O-CB 3.22Å; F12-T16 PolarHBondContact O-N 2.92Å; F12-T16 VanDerWaalsContact O-N 3.17Å; F12-T16 PolarHBondContact O-OG1 3.34Å; T16-F18 WeakPolarHBondContact O-CD1 3.49Å |
| 17 | Q | 97.3 | Very high | 95 | Very high | 131 Ų | 131 | 55.9 Ų | 55.9 | 61% | 0.612 | 29% | 0.292 | S | S | * | . | trans | -77.9 | 142.8 | 170.6 | -76 | -172.7 | -20.6 | 0 | 0 | 111.7 | N82 T84 | Q17-N82 WeakPolarHBondContact CA-O 3.44Å; Q17-T84 HydrophobicContact CB-CG2 3.77Å; Q17-T84 HydrophobicContact CG-CG2 4Å | ||
| 18 | F | 98 | Very high | 94.7 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 170.5 | -177.9 | 58.8 | -87.8 | 0 | 0 | 0 | 111.8 | L13 T16 L20 V38 R39 F40 F73 I78 N82 I83 T84 | L13-F18 HydrophobicContact CB-CD1 4.14Å; L13-F18 HydrophobicContact CB-CE1 3.75Å; L13-F18 HydrophobicContact CB-CZ 4.31Å; L13-F18 HydrophobicContact CD1-CZ 4.48Å; L13-F18 HydrophobicContact CD2-CB 4.04Å; L13-F18 HydrophobicContact CD2-CD1 3.55Å; L13-F18 HydrophobicContact CD2-CD2 4.33Å; L13-F18 HydrophobicContact CD2-CE1 3.97Å; L13-F18 HydrophobicContact CD2-CG 3.74Å; L13-F18 HydrophobicContact CD2-CZ 4.49Å; L13-F18 HydrophobicContact CG-CD1 4.34Å; L13-F18 HydrophobicContact CG-CE1 4.29Å; T16-F18 WeakPolarHBondContact O-CD1 3.49Å; F18-L20 HydrophobicContact CD2-CG 4.41Å; F18-L20 HydrophobicContact CE2-CD2 4.17Å; F18-L20 HydrophobicContact CE2-CG 4.13Å; F18-V38 HydrophobicContact CD2-CB 4.3Å; F18-V38 HydrophobicContact CD2-CG1 3.76Å; F18-V38 HydrophobicContact CE2-CG1 3.89Å; F18-R39 WeakPolarHBondContact CA-O 3.36Å; F18-F40 HydrophobicContact CB-CB 3.91Å; F18-F73 HydrophobicContact CE2-CE1 4.07Å; F18-F73 AromaticContact CE2-CZ 3.91Å; F18-F73 HydrophobicContact CE2-CZ 3.91Å; F18-F73 AromaticContact CZ-CE1 3.61Å; F18-F73 HydrophobicContact CZ-CE1 3.61Å; F18-F73 AromaticContact CZ-CZ 3.87Å; F18-F73 HydrophobicContact CZ-CZ 3.87Å; F18-I78 HydrophobicContact CE1-CG2 4.07Å; F18-I78 HydrophobicContact CZ-CG2 3.96Å; F18-N82 HydrophobicContact CD1-CB 4.15Å; F18-N82 HydrophobicContact CE1-CB 3.7Å; F18-N82 PolarHBondContact N-O 2.99Å; F18-I83 HydrophobicContact CE2-CG1 3.85Å; F18-I83 HydrophobicContact CZ-CG1 3.97Å; F18-I83 WeakPolarHBondContact O-CA 3.44Å; F18-T84 PolarHBondContact O-N 3.36Å; F18-T84 PolarHBondContact O-OG1 2.86Å |
| 19 | S | 97.8 | Very high | 94.3 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 148 | 171.5 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | V38 R39 A85 | S19-V38 CarbonylContact O-C 3.54Å; S19-V38 WeakPolarHBondContact O-CA 3.44Å; S19-R39 PolarHBondContact N-O 3.06Å; S19-R39 PolarHBondContact O-N 2.84Å; S19-R39 WeakPolarHBondContact OG-CB 3.47Å; S19-R39 PolarHBondContact OG-O 3.03Å; S19-R39 VanDerWaalsContact OG-O 3.12Å; S19-A85 CarbonylContact C-O 3.52Å; S19-A85 VanDerWaalsContact CA-O 3.29Å; S19-A85 WeakPolarHBondContact CA-O 3.49Å |
| 20 | L | 97.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 144 | 176.7 | -77.1 | 169.3 | 0 | 0 | 0 | 110.5 | F18 L22 Y37 V38 L51 L69 F73 I83 A85 V86 A87 | F18-L20 HydrophobicContact CD2-CG 4.41Å; F18-L20 HydrophobicContact CE2-CD2 4.17Å; F18-L20 HydrophobicContact CE2-CG 4.13Å; L20-L22 HydrophobicContact CB-CD2 4.37Å; L20-L22 HydrophobicContact CB-CG 4.38Å; L20-L22 HydrophobicContact CD2-CD2 4.46Å; L20-Y37 CarbonylContact C-O 3.59Å; L20-Y37 WeakPolarHBondContact CA-O 3.34Å; L20-V38 HydrophobicContact CD2-CG1 3.72Å; L20-L51 HydrophobicContact CD2-CD2 4.44Å; L20-L69 HydrophobicContact CD1-CD1 3.91Å; L20-L69 HydrophobicContact CD1-CD2 4.49Å; L20-F73 HydrophobicContact CD1-CZ 4.19Å; L20-F73 HydrophobicContact CD2-CZ 4.36Å; L20-I83 HydrophobicContact CB-CG2 4.48Å; L20-I83 HydrophobicContact CD1-CD1 3.6Å; L20-I83 HydrophobicContact CD1-CG1 4Å; L20-I83 HydrophobicContact CD1-CG2 3.82Å; L20-I83 HydrophobicContact CG-CG2 4.07Å; L20-A85 PolarHBondContact N-O 2.87Å; L20-V86 HydrophobicContact CB-CB 4.43Å; L20-V86 HydrophobicContact CB-CG2 4.01Å; L20-V86 CarbonylContact O-C 3.55Å; L20-V86 WeakPolarHBondContact O-CA 3.45Å; L20-A87 PolarHBondContact O-N 3.17Å |
| 21 | Q | 96.5 | Very high | 93.4 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.5 | 162.8 | -175.6 | 173.5 | -11.6 | 0 | 0 | 108 | Y37 A87 | Q21-Y37 PolarHBondContact N-O 2.87Å; Q21-Y37 PolarHBondContact O-N 3.09Å; Q21-A87 WeakPolarHBondContact CA-O 3.32Å; Q21-A87 HydrophobicContact CB-CB 4.28Å; Q21-A87 HydrophobicContact CG-CB 4.11Å |
| 22 | L | 95.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.8 | -171 | -61.4 | -177.9 | 0 | 0 | 0 | 109.3 | L20 F34 L35 A36 L69 V86 A87 T88 M94 F101 | L20-L22 HydrophobicContact CB-CD2 4.37Å; L20-L22 HydrophobicContact CB-CG 4.38Å; L20-L22 HydrophobicContact CD2-CD2 4.46Å; L22-F34 HydrophobicContact CB-CE2 3.97Å; L22-F34 HydrophobicContact CB-CZ 4.45Å; L22-F34 HydrophobicContact CD1-CE2 4.28Å; L22-F34 HydrophobicContact CD1-CZ 4.01Å; L22-F34 HydrophobicContact CD2-CE2 3.96Å; L22-F34 HydrophobicContact CD2-CZ 3.71Å; L22-F34 HydrophobicContact CG-CE2 4.28Å; L22-F34 HydrophobicContact CG-CZ 4.26Å; L22-L35 WeakPolarHBondContact CA-O 3.48Å; L22-A36 HydrophobicContact CD2-CB 3.78Å; L22-L69 HydrophobicContact CD1-CD1 4.43Å; L22-L69 HydrophobicContact CD2-CD1 4.01Å; L22-V86 HydrophobicContact CD1-CG2 3.63Å; L22-V86 HydrophobicContact CG-CG2 3.93Å; L22-A87 PolarHBondContact N-O 3.26Å; L22-T88 HydrophobicContact CB-CG2 4.36Å; L22-M94 HydrophobicContact CB-CE 3.61Å; L22-M94 HydrophobicContact CD1-CE 4.04Å; L22-F101 HydrophobicContact CD1-CD1 3.98Å; L22-F101 HydrophobicContact CD1-CE1 3.32Å; L22-F101 HydrophobicContact CD1-CE2 3.94Å; L22-F101 HydrophobicContact CD1-CZ 3.29Å |
| 23 | D | 93.2 | Very high | 93.1 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.3 | 177.4 | -158.8 | 28.8 | 0 | 0 | 0 | 111 | L35 | D23-L35 PolarHBondContact N-O 3.35Å; D23-L35 PolarHBondContact O-N 3.13Å |
| 24 | E | 91.1 | Very high | 92.9 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.3 | 171.5 | -173.7 | -173.1 | 117.5 | 0 | 0 | 108.3 | L33 L56 T60 | E24-L33 WeakPolarHBondContact CA-O 3.41Å; E24-L56 HydrophobicContact CG-CD1 4.42Å; E24-T60 VanDerWaalsContact CD-CG2 3.45Å; E24-T60 VanDerWaalsContact OE1-CG2 3.31Å; E24-T60 WeakPolarHBondContact OE1-CG2 3.29Å; E24-T60 WeakPolarHBondContact OE2-CB 3.34Å; E24-T60 WeakPolarHBondContact OE2-CG2 3.39Å |
| 25 | S | 89.9 | Confident | 92.8 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.5 | 174.8 | -77.4 | 0 | 0 | 0 | 0 | 109.9 | L33 | S25-L33 PolarHBondContact N-O 3.19Å; S25-L33 PolarHBondContact O-N 3.02Å |
| 26 | I | 88.8 | Confident | 92.8 | Very high | 115 Ų | 115 | 52.8 Ų | 52.8 | 59% | 0.59 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.8 | 176.8 | -59.3 | 174.2 | 0 | 0 | 0 | 107.9 | ||
| 27 | L | 88.3 | Confident | 92.9 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | trans | -76.5 | 159.8 | 173.2 | -67.7 | -174.1 | 0 | 0 | 0 | 111 | G29 N30 E31 L33 | L27-G29 PolarHBondContact O-N 3.33Å; L27-G29 VanDerWaalsContact O-N 3.1Å; L27-N30 PolarHBondContact O-N 3.46Å; L27-E31 HydrophobicContact CB-CB 4.3Å; L27-E31 WeakPolarHBondContact CB-OE2 3.34Å; L27-E31 HydrophobicContact CD1-CB 4.35Å; L27-E31 PolarHBondContact N-O 2.92Å; L27-L33 HydrophobicContact CD1-CD1 3.7Å; L27-L33 HydrophobicContact CG-CD1 4.08Å | ||
| 28 | P | 86.2 | Confident | 92.9 | Very high | 140 Ų | 140 | 48.4 Ų | 48.4 | 91% | 0.909 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.8 | -179 | -26.6 | 35.7 | 0 | 0 | 0 | 115.4 | N30 | P28-N30 PolarHBondContact O-N 3.27Š|
| 29 | G | 87 | Confident | 92.8 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 55% | 0.546 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 8.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L27 E31 | L27-G29 PolarHBondContact O-N 3.33Å; L27-G29 VanDerWaalsContact O-N 3.1Å; G29-E31 VanDerWaalsContact C-CD 3.5Å; G29-E31 VanDerWaalsContact C-N 3.27Å; G29-E31 WeakPolarHBondContact CA-OE2 3.35Å; G29-E31 PolarHBondContact N-OE2 2.91Å; G29-E31 VanDerWaalsContact N-OE2 3.11Å |
| 30 | N | 82.2 | Confident | 92.8 | Very high | 136 Ų | 136 | 52.9 Ų | 52.9 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 69.9 | 20.2 | -176.8 | -158.6 | 59.1 | 0 | 0 | 0 | 113.8 | L27 P28 | L27-N30 PolarHBondContact O-N 3.46Å; P28-N30 PolarHBondContact O-N 3.27Å |
| 31 | E | 89.7 | Confident | 92.8 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | trans | -79.2 | 132.1 | 169.6 | -49.5 | 87.7 | 166.2 | 0 | 0 | 109.9 | L27 G29 E55 | L27-E31 HydrophobicContact CB-CB 4.3Å; L27-E31 WeakPolarHBondContact CB-OE2 3.34Å; L27-E31 HydrophobicContact CD1-CB 4.35Å; L27-E31 PolarHBondContact N-O 2.92Å; G29-E31 VanDerWaalsContact C-CD 3.5Å; G29-E31 VanDerWaalsContact C-N 3.27Å; G29-E31 WeakPolarHBondContact CA-OE2 3.35Å; G29-E31 PolarHBondContact N-OE2 2.91Å; G29-E31 VanDerWaalsContact N-OE2 3.11Å; E31-E55 HydrophobicContact CB-CG 4.38Å | ||
| 32 | A | 91.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 12% | 0.116 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 127.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E55 L56 T60 | A32-E55 CarbonylContact O-C 3.59Å; A32-E55 WeakPolarHBondContact O-CA 3.35Å; A32-L56 HydrophobicContact CB-CB 4.04Å; A32-L56 HydrophobicContact CB-CD1 4.28Å; A32-L56 PolarHBondContact O-N 2.95Å; A32-T60 HydrophobicContact CB-CG2 3.64Å |
| 33 | L | 94.5 | Very high | 92.6 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.8 | 178.2 | -140.3 | 96.9 | 0 | 0 | 0 | 109.5 | E24 S25 L27 L35 A53 | E24-L33 WeakPolarHBondContact CA-O 3.41Å; S25-L33 PolarHBondContact N-O 3.19Å; S25-L33 PolarHBondContact O-N 3.02Å; L27-L33 HydrophobicContact CD1-CD1 3.7Å; L27-L33 HydrophobicContact CG-CD1 4.08Å; L33-L35 HydrophobicContact CD2-CD2 3.71Å; L33-L35 HydrophobicContact CD2-CG 4.17Å; L33-A53 HydrophobicContact CD2-CB 3.92Å |
| 34 | F | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 0% | 0.004 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.8 | 172 | -178.1 | -139.2 | 0 | 0 | 0 | 110.1 | L22 F52 A53 K54 L56 I65 V68 L69 M94 | L22-F34 HydrophobicContact CB-CE2 3.97Å; L22-F34 HydrophobicContact CB-CZ 4.45Å; L22-F34 HydrophobicContact CD1-CE2 4.28Å; L22-F34 HydrophobicContact CD1-CZ 4.01Å; L22-F34 HydrophobicContact CD2-CE2 3.96Å; L22-F34 HydrophobicContact CD2-CZ 3.71Å; L22-F34 HydrophobicContact CG-CE2 4.28Å; L22-F34 HydrophobicContact CG-CZ 4.26Å; F34-F52 AromaticContact CD1-CE2 3.64Å; F34-F52 HydrophobicContact CD1-CE2 3.64Å; F34-F52 HydrophobicContact CD1-CZ 4.02Å; F34-F52 AromaticContact CE1-CE2 3.87Å; F34-F52 HydrophobicContact CE1-CE2 3.87Å; F34-F52 AromaticContact CE1-CZ 3.77Å; F34-F52 HydrophobicContact CE1-CZ 3.77Å; F34-F52 HydrophobicContact CG-CE2 4.39Å; F34-A53 WeakPolarHBondContact O-CA 3.36Å; F34-K54 PolarHBondContact N-O 3.16Å; F34-K54 PolarHBondContact O-N 3.04Å; F34-L56 HydrophobicContact CB-CD1 4.03Å; F34-L56 HydrophobicContact CB-CD2 3.92Å; F34-L56 HydrophobicContact CB-CG 3.81Å; F34-L56 HydrophobicContact CG-CD2 4.48Å; F34-I65 HydrophobicContact CD1-CG2 4.21Å; F34-I65 HydrophobicContact CD2-CG2 3.93Å; F34-I65 HydrophobicContact CE1-CG2 3.78Å; F34-I65 HydrophobicContact CE2-CG2 3.46Å; F34-I65 VanDerWaalsContact CE2-CG2 3.46Å; F34-I65 HydrophobicContact CG-CG2 4.29Å; F34-I65 HydrophobicContact CZ-CG2 3.39Å; F34-V68 HydrophobicContact CD1-CB 4.34Å; F34-V68 HydrophobicContact CD1-CG1 3.93Å; F34-V68 HydrophobicContact CE1-CG1 4.5Å; F34-L69 HydrophobicContact CE1-CB 4.16Å; F34-L69 HydrophobicContact CE1-CD1 4.4Å; F34-L69 HydrophobicContact CZ-CD1 4.31Å; F34-M94 HydrophobicContact CE2-CE 4.35Å |
| 35 | L | 95.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 74.3 Ų | 74.3 | 12% | 0.12 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.4 | -178.7 | -65.5 | 166.6 | 0 | 0 | 0 | 109.4 | L22 D23 L33 Y37 M50 A53 | L22-L35 WeakPolarHBondContact CA-O 3.48Å; D23-L35 PolarHBondContact N-O 3.35Å; D23-L35 PolarHBondContact O-N 3.13Å; L33-L35 HydrophobicContact CD2-CD2 3.71Å; L33-L35 HydrophobicContact CD2-CG 4.17Å; L35-Y37 HydrophobicContact CB-CE2 4.22Å; L35-M50 HydrophobicContact CD2-CE 4.15Å; L35-A53 HydrophobicContact CD2-CB 3.6Å |
| 36 | A | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L22 L51 F52 | L22-A36 HydrophobicContact CD2-CB 3.78Å; A36-L51 HydrophobicContact CB-CB 4.29Å; A36-L51 WeakPolarHBondContact O-CB 3.35Å; A36-L51 PolarHBondContact O-N 3.39Å; A36-F52 HydrophobicContact CB-CD1 4Å; A36-F52 HydrophobicContact CB-CD2 4.04Å; A36-F52 HydrophobicContact CB-CE1 3.66Å; A36-F52 HydrophobicContact CB-CE2 3.7Å; A36-F52 HydrophobicContact CB-CG 4.18Å; A36-F52 HydrophobicContact CB-CZ 3.5Å; A36-F52 VanDerWaalsContact CB-CZ 3.5Å; A36-F52 PolarHBondContact N-O 3.32Å; A36-F52 PolarHBondContact O-N 3.41Å |
| 37 | Y | 97 | Very high | 93.5 | Very high | 72 Ų | 72 | 73 Ų | 73 | 28% | 0.282 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.9 | 169.3 | -66.6 | -96 | 0 | 0 | 0 | 109.6 | L20 Q21 L35 E49 M50 | L20-Y37 CarbonylContact C-O 3.59Å; L20-Y37 WeakPolarHBondContact CA-O 3.34Å; Q21-Y37 PolarHBondContact N-O 2.87Å; Q21-Y37 PolarHBondContact O-N 3.09Å; L35-Y37 HydrophobicContact CB-CE2 4.22Å; Y37-E49 CarbonylContact C-O 3.6Å; Y37-E49 WeakPolarHBondContact CA-O 3.42Å; Y37-M50 HydrophobicContact CD1-CB 3.98Å; Y37-M50 HydrophobicContact CE1-CB 3.79Å; Y37-M50 HydrophobicContact CE1-CE 3.94Å; Y37-M50 HydrophobicContact CE1-CG 4.25Å; Y37-M50 HydrophobicContact CE2-CE 4.34Å; Y37-M50 WeakPolarHBondContact OH-CE 3.41Å |
| 38 | V | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.8 | 173.5 | -72.3 | 0 | 0 | 0 | 0 | 109.8 | L9 L13 F18 S19 L20 F40 Q48 E49 L51 | L9-V38 HydrophobicContact CD1-CG2 4.23Å; L9-V38 HydrophobicContact CD2-CG2 4.09Å; L13-V38 HydrophobicContact CD1-CB 4.43Å; L13-V38 HydrophobicContact CD1-CG1 3.93Å; L13-V38 HydrophobicContact CD1-CG2 4.19Å; L13-V38 HydrophobicContact CD2-CB 4.38Å; L13-V38 HydrophobicContact CD2-CG1 4.5Å; L13-V38 HydrophobicContact CD2-CG2 4.41Å; F18-V38 HydrophobicContact CD2-CB 4.3Å; F18-V38 HydrophobicContact CD2-CG1 3.76Å; F18-V38 HydrophobicContact CE2-CG1 3.89Å; S19-V38 CarbonylContact O-C 3.54Å; S19-V38 WeakPolarHBondContact O-CA 3.44Å; L20-V38 HydrophobicContact CD2-CG1 3.72Å; V38-F40 HydrophobicContact CB-CD1 4.35Å; V38-F40 HydrophobicContact CG2-CD1 4.16Å; V38-F40 HydrophobicContact CG2-CE1 3.9Å; V38-Q48 VanDerWaalsContact O-CA 3.31Å; V38-Q48 WeakPolarHBondContact O-CA 3.48Å; V38-E49 HydrophobicContact CG2-CB 4.16Å; V38-E49 PolarHBondContact N-O 2.79Å; V38-E49 PolarHBondContact O-N 2.83Å; V38-L51 HydrophobicContact CG1-CB 4.03Å; V38-L51 HydrophobicContact CG1-CD1 4.4Å; V38-L51 HydrophobicContact CG1-CD2 3.88Å; V38-L51 HydrophobicContact CG1-CG 4.33Å; V38-L51 HydrophobicContact CG2-CB 4.41Å |
| 39 | R | 97.7 | Very high | 94.4 | Very high | 115 Ų | 115 | 71.2 Ų | 71.2 | 43% | 0.434 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.3 | 172.3 | 178.2 | -175.2 | -73.4 | -163.4 | -1.2 | 109.7 | F18 S19 V46 V47 | F18-R39 WeakPolarHBondContact CA-O 3.36Å; S19-R39 PolarHBondContact N-O 3.06Å; S19-R39 PolarHBondContact O-N 2.84Å; S19-R39 WeakPolarHBondContact OG-CB 3.47Å; S19-R39 PolarHBondContact OG-O 3.03Å; S19-R39 VanDerWaalsContact OG-O 3.12Å; R39-V46 HydrophobicContact CG-CG1 3.5Å; R39-V47 VanDerWaalsContact CA-O 3.27Å; R39-V47 WeakPolarHBondContact CA-O 3.43Å |
| 40 | F | 97.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 72.9 Ų | 72.9 | 6% | 0.057 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 169.6 | -175.3 | 52.8 | -93 | 0 | 0 | 0 | 110.8 | L9 F12 L13 F18 V38 K42 V47 E49 | L9-F40 HydrophobicContact CD1-CE1 3.56Å; L9-F40 HydrophobicContact CD1-CZ 3.73Å; F12-F40 HydrophobicContact CD1-CD2 4.05Å; F12-F40 AromaticContact CD1-CE2 3.97Å; F12-F40 HydrophobicContact CD1-CE2 3.97Å; F12-F40 HydrophobicContact CD1-CG 4.45Å; F12-F40 HydrophobicContact CD1-CZ 4.35Å; F12-F40 HydrophobicContact CE1-CB 4.36Å; F12-F40 AromaticContact CE1-CD2 3.26Å; F12-F40 HydrophobicContact CE1-CD2 3.26Å; F12-F40 AromaticContact CE1-CE2 3.54Å; F12-F40 HydrophobicContact CE1-CE2 3.54Å; F12-F40 AromaticContact CE1-CG 3.82Å; F12-F40 HydrophobicContact CE1-CG 3.82Å; F12-F40 HydrophobicContact CE1-CZ 4.32Å; F12-F40 AromaticContact CZ-CD2 3.98Å; F12-F40 HydrophobicContact CZ-CD2 3.98Å; F12-F40 HydrophobicContact CZ-CE2 4.24Å; L13-F40 HydrophobicContact CD2-CD1 3.92Å; L13-F40 HydrophobicContact CD2-CE1 4.31Å; F18-F40 HydrophobicContact CB-CB 3.91Å; V38-F40 HydrophobicContact CB-CD1 4.35Å; V38-F40 HydrophobicContact CG2-CD1 4.16Å; V38-F40 HydrophobicContact CG2-CE1 3.9Å; F40-K42 HydrophobicContact CD2-CB 4.17Å; F40-K42 HydrophobicContact CE2-CB 4.07Å; F40-K42 HydrophobicContact CE2-CD 4.35Å; F40-V47 HydrophobicContact CD2-CB 4.13Å; F40-V47 HydrophobicContact CE1-CG1 4.46Å; F40-V47 HydrophobicContact CE2-CB 3.7Å; F40-V47 HydrophobicContact CE2-CG1 3.87Å; F40-V47 HydrophobicContact CE2-CG2 4.35Å; F40-V47 HydrophobicContact CZ-CB 4.01Å; F40-V47 HydrophobicContact CZ-CG1 3.72Å; F40-V47 PolarHBondContact N-O 3.12Å; F40-V47 PolarHBondContact O-N 3.22Å; F40-E49 HydrophobicContact CE1-CG 4.41Å; F40-E49 HydrophobicContact CZ-CG 4.29Å |
| 41 | I | 96.3 | Very high | 95.4 | Very high | 116 Ų | 116 | 66.9 Ų | 66.9 | 60% | 0.595 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.3 | 176.6 | -60.9 | 172.3 | 0 | 0 | 0 | 108.5 | Q45 | I41-Q45 WeakPolarHBondContact CA-O 2.82Å |
| 42 | K | 94.2 | Very high | 95.7 | Very high | 112 Ų | 112 | 64.3 Ų | 64.3 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 125.1 | 174.1 | -173.7 | 177.2 | -177.9 | 177.9 | 0 | 108.5 | F12 F40 E44 Q45 V47 | F12-K42 HydrophobicContact CE2-CD 4.46Å; F12-K42 HydrophobicContact CE2-CG 4.45Å; F12-K42 HydrophobicContact CZ-CB 4.29Å; F12-K42 HydrophobicContact CZ-CD 4.49Å; F12-K42 HydrophobicContact CZ-CG 4.34Å; F40-K42 HydrophobicContact CD2-CB 4.17Å; F40-K42 HydrophobicContact CE2-CB 4.07Å; F40-K42 HydrophobicContact CE2-CD 4.35Å; K42-E44 VanDerWaalsContact C-N 3.32Å; K42-E44 PolarHBondContact O-N 2.83Å; K42-Q45 PolarHBondContact N-O 3.12Å; K42-Q45 PolarHBondContact O-N 2.98Å; K42-V47 HydrophobicContact CB-CG2 4.04Å |
| 43 | A | 93.9 | Very high | 95.9 | Very high | 95 Ų | 95 | 66 Ų | 66 | 79% | 0.785 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 50.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q45 | A43-Q45 PolarHBondContact O-N 3.48Š|
| 44 | E | 93.8 | Very high | 95.9 | Very high | 191 Ų | 191 | 67.5 Ų | 67.5 | 89% | 0.893 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 7.1 | -179.5 | -54.5 | -177.4 | 176 | 0 | 0 | 115.7 | K42 | K42-E44 VanDerWaalsContact C-N 3.32Å; K42-E44 PolarHBondContact O-N 2.83Å |
| 45 | Q | 95.9 | Very high | 95.8 | Very high | 138 Ų | 138 | 72.6 Ų | 72.6 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.1 | 176.3 | -64.4 | -171.6 | -14.1 | 0 | 0 | 111.2 | I41 K42 A43 V47 | I41-Q45 WeakPolarHBondContact CA-O 2.82Å; K42-Q45 PolarHBondContact N-O 3.12Å; K42-Q45 PolarHBondContact O-N 2.98Å; A43-Q45 PolarHBondContact O-N 3.48Å; Q45-V47 PolarHBondContact O-N 2.85Å |
| 46 | V | 95.9 | Very high | 95.6 | Very high | 99 Ų | 99 | 72 Ų | 72 | 60% | 0.6 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 115.8 | 169.5 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | R39 | R39-V46 HydrophobicContact CG-CG1 3.5Å |
| 47 | V | 96.6 | Very high | 95 | Very high | 34 Ų | 34 | 77.8 Ų | 77.8 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 140 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | R39 F40 K42 Q45 E49 | R39-V47 VanDerWaalsContact CA-O 3.27Å; R39-V47 WeakPolarHBondContact CA-O 3.43Å; F40-V47 HydrophobicContact CD2-CB 4.13Å; F40-V47 HydrophobicContact CE1-CG1 4.46Å; F40-V47 HydrophobicContact CE2-CB 3.7Å; F40-V47 HydrophobicContact CE2-CG1 3.87Å; F40-V47 HydrophobicContact CE2-CG2 4.35Å; F40-V47 HydrophobicContact CZ-CB 4.01Å; F40-V47 HydrophobicContact CZ-CG1 3.72Å; F40-V47 PolarHBondContact N-O 3.12Å; F40-V47 PolarHBondContact O-N 3.22Å; K42-V47 HydrophobicContact CB-CG2 4.04Å; Q45-V47 PolarHBondContact O-N 2.85Å; V47-E49 HydrophobicContact CG1-CG 4.01Å |
| 48 | Q | 96.4 | Very high | 94.2 | Very high | 87 Ų | 87 | 79.8 Ų | 79.8 | 41% | 0.407 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.2 | 173.9 | -177.6 | 178.1 | -48.9 | 0 | 0 | 109.1 | V38 | V38-Q48 VanDerWaalsContact O-CA 3.31Å; V38-Q48 WeakPolarHBondContact O-CA 3.48Å |
| 49 | E | 96.1 | Very high | 93.9 | Very high | 90 Ų | 90 | 81.8 Ų | 81.8 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.1 | -178.4 | -69.3 | -71.1 | 176.6 | 0 | 0 | 110.1 | L9 Y37 V38 F40 V47 | L9-E49 HydrophobicContact CD1-CB 4.44Å; L9-E49 HydrophobicContact CD2-CB 3.85Å; Y37-E49 CarbonylContact C-O 3.6Å; Y37-E49 WeakPolarHBondContact CA-O 3.42Å; V38-E49 HydrophobicContact CG2-CB 4.16Å; V38-E49 PolarHBondContact N-O 2.79Å; V38-E49 PolarHBondContact O-N 2.83Å; F40-E49 HydrophobicContact CE1-CG 4.41Å; F40-E49 HydrophobicContact CZ-CG 4.29Å; V47-E49 HydrophobicContact CG1-CG 4.01Å |
| 50 | M | 95.6 | Very high | 93.5 | Very high | 88 Ų | 88 | 79 Ų | 79 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 124.2 | 168.2 | -178.1 | -179 | -79.4 | 0 | 0 | 108.4 | L35 Y37 A53 | L35-M50 HydrophobicContact CD2-CE 4.15Å; Y37-M50 HydrophobicContact CD1-CB 3.98Å; Y37-M50 HydrophobicContact CE1-CB 3.79Å; Y37-M50 HydrophobicContact CE1-CE 3.94Å; Y37-M50 HydrophobicContact CE1-CG 4.25Å; Y37-M50 HydrophobicContact CE2-CE 4.34Å; Y37-M50 WeakPolarHBondContact OH-CE 3.41Å; M50-A53 HydrophobicContact SD-CB 4.35Å |
| 51 | L | 96.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 85.4 Ų | 85.4 | 5% | 0.052 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -51.7 | 176.9 | -175.4 | 63.8 | 0 | 0 | 0 | 110.8 | L9 L13 L20 A36 V38 F72 F73 | L9-L51 HydrophobicContact CD2-CD1 4.22Å; L13-L51 HydrophobicContact CD1-CD1 3.61Å; L20-L51 HydrophobicContact CD2-CD2 4.44Å; A36-L51 HydrophobicContact CB-CB 4.29Å; A36-L51 WeakPolarHBondContact O-CB 3.35Å; A36-L51 PolarHBondContact O-N 3.39Å; V38-L51 HydrophobicContact CG1-CB 4.03Å; V38-L51 HydrophobicContact CG1-CD1 4.4Å; V38-L51 HydrophobicContact CG1-CD2 3.88Å; V38-L51 HydrophobicContact CG1-CG 4.33Å; V38-L51 HydrophobicContact CG2-CB 4.41Å; L51-F72 HydrophobicContact CD1-CE1 3.85Å; L51-F72 HydrophobicContact CD1-CZ 4.19Å; L51-F72 HydrophobicContact CD2-CD1 4.27Å; L51-F72 HydrophobicContact CD2-CE1 3.83Å; L51-F72 HydrophobicContact CG-CE1 3.67Å; L51-F72 HydrophobicContact CG-CZ 4.09Å; L51-F73 HydrophobicContact CD2-CE2 3.75Å; L51-F73 HydrophobicContact CD2-CZ 4.15Å |
| 52 | F | 95.7 | Very high | 93.2 | Very high | 15 Ų | 15 | 80 Ų | 80 | 7% | 0.066 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 164.2 | 174.3 | 63 | -107.3 | 0 | 0 | 0 | 111.9 | F34 A36 K54 L69 F72 | F34-F52 AromaticContact CD1-CE2 3.64Å; F34-F52 HydrophobicContact CD1-CE2 3.64Å; F34-F52 HydrophobicContact CD1-CZ 4.02Å; F34-F52 AromaticContact CE1-CE2 3.87Å; F34-F52 HydrophobicContact CE1-CE2 3.87Å; F34-F52 AromaticContact CE1-CZ 3.77Å; F34-F52 HydrophobicContact CE1-CZ 3.77Å; F34-F52 HydrophobicContact CG-CE2 4.39Å; A36-F52 HydrophobicContact CB-CD1 4Å; A36-F52 HydrophobicContact CB-CD2 4.04Å; A36-F52 HydrophobicContact CB-CE1 3.66Å; A36-F52 HydrophobicContact CB-CE2 3.7Å; A36-F52 HydrophobicContact CB-CG 4.18Å; A36-F52 HydrophobicContact CB-CZ 3.5Å; A36-F52 VanDerWaalsContact CB-CZ 3.5Å; A36-F52 PolarHBondContact N-O 3.32Å; A36-F52 PolarHBondContact O-N 3.41Å; F52-K54 HydrophobicContact CB-CG 4.48Å; F52-K54 HydrophobicContact CD2-CB 4.08Å; F52-K54 HydrophobicContact CD2-CD 4.31Å; F52-K54 HydrophobicContact CD2-CG 3.8Å; F52-K54 HydrophobicContact CE2-CB 4.36Å; F52-K54 HydrophobicContact CE2-CG 4.37Å; F52-K54 HydrophobicContact CG-CG 4.31Å; F52-L69 HydrophobicContact CZ-CD1 4.4Å; F52-F72 HydrophobicContact CB-CD2 4.48Å; F52-F72 HydrophobicContact CB-CE2 4.08Å; F52-F72 HydrophobicContact CB-CZ 4.38Å; F52-F72 HydrophobicContact CD1-CB 4.31Å; F52-F72 AromaticContact CD1-CD1 3.61Å; F52-F72 HydrophobicContact CD1-CD1 3.61Å; F52-F72 AromaticContact CD1-CD2 3.75Å; F52-F72 HydrophobicContact CD1-CD2 3.75Å; F52-F72 AromaticContact CD1-CE1 3.76Å; F52-F72 HydrophobicContact CD1-CE1 3.76Å; F52-F72 AromaticContact CD1-CE2 3.87Å; F52-F72 HydrophobicContact CD1-CE2 3.87Å; F52-F72 AromaticContact CD1-CG 3.59Å; F52-F72 HydrophobicContact CD1-CG 3.59Å; F52-F72 AromaticContact CD1-CZ 3.87Å; F52-F72 HydrophobicContact CD1-CZ 3.87Å; F52-F72 HydrophobicContact CE1-CB 4.02Å; F52-F72 AromaticContact CE1-CD1 3.74Å; F52-F72 HydrophobicContact CE1-CD1 3.74Å; F52-F72 HydrophobicContact CE1-CD2 4.32Å; F52-F72 HydrophobicContact CE1-CE1 4.29Å; F52-F72 AromaticContact CE1-CG 3.75Å; F52-F72 HydrophobicContact CE1-CG 3.75Å; F52-F72 HydrophobicContact CG-CD2 4.32Å; F52-F72 HydrophobicContact CG-CE2 4.34Å |
| 53 | A | 94.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 78.9 Ų | 78.9 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 109.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | L33 F34 L35 M50 | L33-A53 HydrophobicContact CD2-CB 3.92Å; F34-A53 WeakPolarHBondContact O-CA 3.36Å; L35-A53 HydrophobicContact CD2-CB 3.6Å; M50-A53 HydrophobicContact SD-CB 4.35Å |
| 54 | K | 94.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 75 Ų | 75 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.2 | -177.1 | -74.7 | -167.3 | 172.8 | -167.5 | 0 | 110.5 | F34 F52 V68 E75 | F34-K54 PolarHBondContact N-O 3.16Å; F34-K54 PolarHBondContact O-N 3.04Å; F52-K54 HydrophobicContact CB-CG 4.48Å; F52-K54 HydrophobicContact CD2-CB 4.08Å; F52-K54 HydrophobicContact CD2-CD 4.31Å; F52-K54 HydrophobicContact CD2-CG 3.8Å; F52-K54 HydrophobicContact CE2-CB 4.36Å; F52-K54 HydrophobicContact CE2-CG 4.37Å; F52-K54 HydrophobicContact CG-CG 4.31Å; K54-V68 HydrophobicContact CB-CG1 4.07Å; K54-V68 HydrophobicContact CD-CG1 3.91Å; K54-E75 IonicContact NZ-OE2 2.78Å |
| 55 | E | 92.7 | Very high | 93.2 | Very high | 108 Ų | 108 | 66 Ų | 66 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.6 | 173.4 | -169 | -179 | 167.9 | 0 | 0 | 110.7 | E31 A32 V57 | E31-E55 HydrophobicContact CB-CG 4.38Å; A32-E55 CarbonylContact O-C 3.59Å; A32-E55 WeakPolarHBondContact O-CA 3.35Å; E55-V57 PolarHBondContact O-N 2.9Å |
| 56 | L | 92.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | trans | -90.3 | 89.9 | 171.1 | -66.4 | 173.1 | 0 | 0 | 0 | 108.7 | E24 A32 F34 T58 T60 I65 V68 | E24-L56 HydrophobicContact CG-CD1 4.42Å; A32-L56 HydrophobicContact CB-CB 4.04Å; A32-L56 HydrophobicContact CB-CD1 4.28Å; A32-L56 PolarHBondContact O-N 2.95Å; F34-L56 HydrophobicContact CB-CD1 4.03Å; F34-L56 HydrophobicContact CB-CD2 3.92Å; F34-L56 HydrophobicContact CB-CG 3.81Å; F34-L56 HydrophobicContact CG-CD2 4.48Å; L56-T58 VanDerWaalsContact C-N 3.31Å; L56-T58 PolarHBondContact O-N 3.11Å; L56-T60 HydrophobicContact CD1-CG2 4.06Å; L56-I65 HydrophobicContact CD1-CD1 4.47Å; L56-I65 HydrophobicContact CD1-CG1 3.96Å; L56-I65 HydrophobicContact CD2-CG1 4.18Å; L56-V68 HydrophobicContact CD2-CG2 3.97Å | ||
| 57 | V | 84.4 | Confident | 93.2 | Very high | 121 Ų | 121 | 59.2 Ų | 59.2 | 73% | 0.733 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -65.9 | -31 | -172.4 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | E55 | E55-V57 PolarHBondContact O-N 2.9Š|
| 58 | T | 80.4 | Confident | 93.2 | Very high | 115 Ų | 115 | 59.2 Ų | 59.2 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -96.1 | -68.2 | -172.3 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | L56 | L56-T58 VanDerWaalsContact C-N 3.31Å; L56-T58 PolarHBondContact O-N 3.11Å |
| 59 | D | 89.7 | Confident | 93.2 | Very high | 42 Ų | 42 | 55 Ų | 55 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | trans | -158.7 | 173.2 | -177.3 | 62 | 62.9 | 0 | 0 | 0 | 110.8 | R61 S64 | D59-R61 HydrophobicContact CB-CG 4.42Å; D59-R61 WeakPolarHBondContact OD1-CB 3.43Å; D59-R61 VanDerWaalsContact OD1-CG 3.25Å; D59-R61 WeakPolarHBondContact OD1-CG 2.82Å; D59-R61 PolarHBondContact OD1-N 3.43Å; D59-R61 IonicContact OD1-NE 2.77Å; D59-R61 PolarHBondContact OD1-NE 3.34Å; D59-R61 IonicContact OD2-CZ 2.73Å; D59-R61 IonicContact OD2-NE 2.67Å; D59-R61 PolarHBondContact OD2-NE 2.78Å; D59-R61 IonicContact OD2-NH2 3.12Å; D59-R61 PolarHBondContact OD2-NH2 3.04Å; D59-S64 VanDerWaalsContact CG-OG 3.29Å; D59-S64 VanDerWaalsContact OD1-CB 3.27Å; D59-S64 WeakPolarHBondContact OD1-CB 3.3Å; D59-S64 PolarHBondContact OD1-OG 2.95Å; D59-S64 PolarHBondContact OD2-OG 2.9Å | ||
| 60 | T | 89.9 | Confident | 93.2 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | trans | -101.7 | 25.9 | -179.6 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | E24 A32 L56 A93 | E24-T60 VanDerWaalsContact CD-CG2 3.45Å; E24-T60 VanDerWaalsContact OE1-CG2 3.31Å; E24-T60 WeakPolarHBondContact OE1-CG2 3.29Å; E24-T60 WeakPolarHBondContact OE2-CB 3.34Å; E24-T60 WeakPolarHBondContact OE2-CG2 3.39Å; A32-T60 HydrophobicContact CB-CG2 3.64Å; L56-T60 HydrophobicContact CD1-CG2 4.06Å; T60-A93 WeakPolarHBondContact O-CB 3.4Å | ||
| 61 | R | 93.3 | Very high | 93.3 | Very high | 149 Ų | 149 | 53.5 Ų | 53.5 | 56% | 0.562 | 28% | 0.281 | S | S | * | . | trans | -73.8 | 147.8 | 176.4 | -62.1 | -179.2 | -70.5 | 168.2 | -5.3 | 109.9 | D59 E63 S64 I65 | D59-R61 HydrophobicContact CB-CG 4.42Å; D59-R61 WeakPolarHBondContact OD1-CB 3.43Å; D59-R61 VanDerWaalsContact OD1-CG 3.25Å; D59-R61 WeakPolarHBondContact OD1-CG 2.82Å; D59-R61 PolarHBondContact OD1-N 3.43Å; D59-R61 IonicContact OD1-NE 2.77Å; D59-R61 PolarHBondContact OD1-NE 3.34Å; D59-R61 IonicContact OD2-CZ 2.73Å; D59-R61 IonicContact OD2-NE 2.67Å; D59-R61 PolarHBondContact OD2-NE 2.78Å; D59-R61 IonicContact OD2-NH2 3.12Å; D59-R61 PolarHBondContact OD2-NH2 3.04Å; R61-E63 PolarHBondContact O-N 3.12Å; R61-E63 VanDerWaalsContact O-N 3.1Å; R61-S64 PolarHBondContact O-N 3.11Å; R61-I65 WeakPolarHBondContact O-CG1 3.4Å; R61-I65 PolarHBondContact O-N 3.04Å | ||
| 62 | G | 93.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.5 | -32.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F66 A93 | G62-F66 VanDerWaalsContact O-CB 3.27Å; G62-F66 WeakPolarHBondContact O-CB 3.3Å; G62-F66 PolarHBondContact O-N 3.2Å; G62-A93 WeakPolarHBondContact CA-O 3.34Å |
| 63 | E | 93.9 | Very high | 93.4 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 42% | 0.416 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 175.2 | -174 | 173.2 | -167.7 | 0 | 0 | 112.4 | R61 F66 L67 | R61-E63 PolarHBondContact O-N 3.12Å; R61-E63 VanDerWaalsContact O-N 3.1Å; E63-F66 WeakPolarHBondContact O-CB 3.44Å; E63-F66 PolarHBondContact O-N 2.92Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.27Å |
| 64 | S | 93.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 177 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | D59 R61 F66 L67 V68 | D59-S64 VanDerWaalsContact CG-OG 3.29Å; D59-S64 VanDerWaalsContact OD1-CB 3.27Å; D59-S64 WeakPolarHBondContact OD1-CB 3.3Å; D59-S64 PolarHBondContact OD1-OG 2.95Å; D59-S64 PolarHBondContact OD2-OG 2.9Å; R61-S64 PolarHBondContact O-N 3.11Å; S64-F66 VanDerWaalsContact C-N 3.29Å; S64-F66 PolarHBondContact O-N 3.42Å; S64-L67 PolarHBondContact O-N 2.91Å; S64-V68 WeakPolarHBondContact O-CG2 3.5Å; S64-V68 PolarHBondContact O-N 3.26Å |
| 65 | I | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 175.3 | -63.7 | 171.2 | 0 | 0 | 0 | 110.6 | F34 L56 R61 V68 L69 A93 M94 F101 | F34-I65 HydrophobicContact CD1-CG2 4.21Å; F34-I65 HydrophobicContact CD2-CG2 3.93Å; F34-I65 HydrophobicContact CE1-CG2 3.78Å; F34-I65 HydrophobicContact CE2-CG2 3.46Å; F34-I65 VanDerWaalsContact CE2-CG2 3.46Å; F34-I65 HydrophobicContact CG-CG2 4.29Å; F34-I65 HydrophobicContact CZ-CG2 3.39Å; L56-I65 HydrophobicContact CD1-CD1 4.47Å; L56-I65 HydrophobicContact CD1-CG1 3.96Å; L56-I65 HydrophobicContact CD2-CG1 4.18Å; R61-I65 WeakPolarHBondContact O-CG1 3.4Å; R61-I65 PolarHBondContact O-N 3.04Å; I65-V68 PolarHBondContact O-N 2.93Å; I65-L69 PolarHBondContact O-N 3.32Å; I65-L69 VanDerWaalsContact O-N 3.15Å; I65-A93 HydrophobicContact CD1-CB 4.49Å; I65-M94 HydrophobicContact CD1-SD 3.87Å; I65-M94 HydrophobicContact CG2-CE 4.44Å; I65-M94 HydrophobicContact CG2-SD 4.24Å; I65-F101 HydrophobicContact CB-CD2 4.33Å; I65-F101 HydrophobicContact CG2-CD2 3.73Å; I65-F101 HydrophobicContact CG2-CE2 4.3Å; I65-F101 HydrophobicContact CG2-CG 4.42Å |
| 66 | F | 96 | Very high | 93.8 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 178 | 171.9 | -102.7 | 0 | 0 | 0 | 112.1 | G62 E63 S64 L69 K70 F101 Q104 L105 I108 | G62-F66 VanDerWaalsContact O-CB 3.27Å; G62-F66 WeakPolarHBondContact O-CB 3.3Å; G62-F66 PolarHBondContact O-N 3.2Å; E63-F66 WeakPolarHBondContact O-CB 3.44Å; E63-F66 PolarHBondContact O-N 2.92Å; S64-F66 VanDerWaalsContact C-N 3.29Å; S64-F66 PolarHBondContact O-N 3.42Å; F66-L69 PolarHBondContact O-N 3.2Å; F66-K70 HydrophobicContact CE1-CB 4.49Å; F66-K70 HydrophobicContact CE1-CD 4.08Å; F66-K70 HydrophobicContact CZ-CB 4.45Å; F66-K70 HydrophobicContact CZ-CD 4.25Å; F66-K70 VanDerWaalsContact O-CB 3.28Å; F66-K70 WeakPolarHBondContact O-CB 3.27Å; F66-K70 PolarHBondContact O-N 2.88Å; F66-F101 HydrophobicContact CB-CD2 3.78Å; F66-F101 HydrophobicContact CB-CE2 4.2Å; F66-F101 HydrophobicContact CD2-CD2 4.4Å; F66-F101 HydrophobicContact CD2-CE2 4.19Å; F66-Q104 HydrophobicContact CB-CB 4.05Å; F66-Q104 HydrophobicContact CB-CG 4.42Å; F66-Q104 HydrophobicContact CD1-CB 3.73Å; F66-Q104 HydrophobicContact CD1-CG 4.3Å; F66-Q104 HydrophobicContact CD2-CB 3.84Å; F66-Q104 HydrophobicContact CE1-CB 4.1Å; F66-Q104 HydrophobicContact CE2-CB 4.22Å; F66-Q104 HydrophobicContact CG-CB 3.57Å; F66-Q104 HydrophobicContact CG-CG 4.32Å; F66-Q104 HydrophobicContact CZ-CB 4.32Å; F66-L105 HydrophobicContact CD2-CB 4.47Å; F66-L105 HydrophobicContact CE2-CB 4.36Å; F66-L105 HydrophobicContact CE2-CD1 4.35Å; F66-I108 HydrophobicContact CE2-CD1 4.37Å; F66-I108 HydrophobicContact CZ-CD1 3.63Å; F66-I108 HydrophobicContact CZ-CG1 4.39Å |
| 67 | L | 95.6 | Very high | 94.1 | Very high | 79 Ų | 79 | 61.9 Ų | 61.9 | 41% | 0.414 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 176 | -71.2 | 171.4 | 0 | 0 | 0 | 111.5 | E63 S64 L69 K70 D71 | E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.27Å; S64-L67 PolarHBondContact O-N 2.91Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 2.99Å; L67-K70 PolarHBondContact O-N 3.41Å; L67-K70 VanDerWaalsContact O-N 3.17Å; L67-D71 WeakPolarHBondContact O-CB 3.38Å; L67-D71 PolarHBondContact O-N 3.21Å |
| 68 | V | 96.2 | Very high | 94.7 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | F34 K54 L56 S64 I65 F72 | F34-V68 HydrophobicContact CD1-CB 4.34Å; F34-V68 HydrophobicContact CD1-CG1 3.93Å; F34-V68 HydrophobicContact CE1-CG1 4.5Å; K54-V68 HydrophobicContact CB-CG1 4.07Å; K54-V68 HydrophobicContact CD-CG1 3.91Å; L56-V68 HydrophobicContact CD2-CG2 3.97Å; S64-V68 WeakPolarHBondContact O-CG2 3.5Å; S64-V68 PolarHBondContact O-N 3.26Å; I65-V68 PolarHBondContact O-N 2.93Å; V68-F72 PolarHBondContact O-N 3.48Å |
| 69 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 175 | -173.9 | 115.4 | 0 | 0 | 0 | 111.4 | L20 L22 F34 F52 I65 F66 L67 F72 F73 L80 F101 | L20-L69 HydrophobicContact CD1-CD1 3.91Å; L20-L69 HydrophobicContact CD1-CD2 4.49Å; L22-L69 HydrophobicContact CD1-CD1 4.43Å; L22-L69 HydrophobicContact CD2-CD1 4.01Å; F34-L69 HydrophobicContact CE1-CB 4.16Å; F34-L69 HydrophobicContact CE1-CD1 4.4Å; F34-L69 HydrophobicContact CZ-CD1 4.31Å; F52-L69 HydrophobicContact CZ-CD1 4.4Å; I65-L69 PolarHBondContact O-N 3.32Å; I65-L69 VanDerWaalsContact O-N 3.15Å; F66-L69 PolarHBondContact O-N 3.2Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 2.99Å; L69-F72 PolarHBondContact O-N 3.11Å; L69-F73 HydrophobicContact CD1-CE2 4.14Å; L69-F73 HydrophobicContact CD2-CD2 4.46Å; L69-F73 HydrophobicContact CD2-CE2 4.37Å; L69-F73 HydrophobicContact CG-CD2 4.08Å; L69-F73 HydrophobicContact CG-CE2 3.95Å; L69-F73 WeakPolarHBondContact O-CD2 3.34Å; L69-F73 PolarHBondContact O-N 3.39Å; L69-L80 HydrophobicContact CD2-CD2 3.98Å; L69-F101 HydrophobicContact CB-CE2 4.08Å; L69-F101 HydrophobicContact CD1-CE2 4.42Å; L69-F101 HydrophobicContact CD1-CZ 4.25Å; L69-F101 HydrophobicContact CD2-CE2 4.17Å; L69-F101 HydrophobicContact CD2-CZ 3.99Å; L69-F101 HydrophobicContact CG-CE2 4.45Å |
| 70 | K | 96.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | -178.5 | -178.2 | -174.4 | 167.8 | -166.7 | 0 | 111 | F66 L67 F72 F73 E74 L80 | F66-K70 HydrophobicContact CE1-CB 4.49Å; F66-K70 HydrophobicContact CE1-CD 4.08Å; F66-K70 HydrophobicContact CZ-CB 4.45Å; F66-K70 HydrophobicContact CZ-CD 4.25Å; F66-K70 VanDerWaalsContact O-CB 3.28Å; F66-K70 WeakPolarHBondContact O-CB 3.27Å; F66-K70 PolarHBondContact O-N 2.88Å; L67-K70 PolarHBondContact O-N 3.41Å; L67-K70 VanDerWaalsContact O-N 3.17Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 PolarHBondContact O-N 3.11Å; K70-F73 PolarHBondContact O-N 3.33Å; K70-F73 VanDerWaalsContact O-N 3.11Å; K70-E74 WeakPolarHBondContact CE-OE1 3.47Å; K70-E74 HydrophobicContact CG-CG 4.42Å; K70-E74 IonicContact NZ-OE1 3.53Å; K70-E74 WeakPolarHBondContact O-CG 3.48Å; K70-E74 PolarHBondContact O-N 2.84Å; K70-L80 HydrophobicContact CG-CD1 4.42Å |
| 71 | D | 96.6 | Very high | 96.2 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | -179.9 | -67.5 | -9.5 | 0 | 0 | 0 | 111 | L67 E74 E75 | L67-D71 WeakPolarHBondContact O-CB 3.38Å; L67-D71 PolarHBondContact O-N 3.21Å; D71-E74 PolarHBondContact O-N 3.23Å; D71-E75 VanDerWaalsContact O-CB 3.24Å; D71-E75 WeakPolarHBondContact O-CB 3.19Å; D71-E75 PolarHBondContact O-N 3.46Å |
| 72 | F | 96.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.7 | -178.7 | -89.4 | 0 | 0 | 0 | 111.9 | L51 F52 V68 L69 K70 E75 K76 I78 | L51-F72 HydrophobicContact CD1-CE1 3.85Å; L51-F72 HydrophobicContact CD1-CZ 4.19Å; L51-F72 HydrophobicContact CD2-CD1 4.27Å; L51-F72 HydrophobicContact CD2-CE1 3.83Å; L51-F72 HydrophobicContact CG-CE1 3.67Å; L51-F72 HydrophobicContact CG-CZ 4.09Å; F52-F72 HydrophobicContact CB-CD2 4.48Å; F52-F72 HydrophobicContact CB-CE2 4.08Å; F52-F72 HydrophobicContact CB-CZ 4.38Å; F52-F72 HydrophobicContact CD1-CB 4.31Å; F52-F72 AromaticContact CD1-CD1 3.61Å; F52-F72 HydrophobicContact CD1-CD1 3.61Å; F52-F72 AromaticContact CD1-CD2 3.75Å; F52-F72 HydrophobicContact CD1-CD2 3.75Å; F52-F72 AromaticContact CD1-CE1 3.76Å; F52-F72 HydrophobicContact CD1-CE1 3.76Å; F52-F72 AromaticContact CD1-CE2 3.87Å; F52-F72 HydrophobicContact CD1-CE2 3.87Å; F52-F72 AromaticContact CD1-CG 3.59Å; F52-F72 HydrophobicContact CD1-CG 3.59Å; F52-F72 AromaticContact CD1-CZ 3.87Å; F52-F72 HydrophobicContact CD1-CZ 3.87Å; F52-F72 HydrophobicContact CE1-CB 4.02Å; F52-F72 AromaticContact CE1-CD1 3.74Å; F52-F72 HydrophobicContact CE1-CD1 3.74Å; F52-F72 HydrophobicContact CE1-CD2 4.32Å; F52-F72 HydrophobicContact CE1-CE1 4.29Å; F52-F72 AromaticContact CE1-CG 3.75Å; F52-F72 HydrophobicContact CE1-CG 3.75Å; F52-F72 HydrophobicContact CG-CD2 4.32Å; F52-F72 HydrophobicContact CG-CE2 4.34Å; V68-F72 PolarHBondContact O-N 3.48Å; L69-F72 PolarHBondContact O-N 3.11Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 PolarHBondContact O-N 3.11Å; F72-E75 PolarHBondContact O-N 3.37Å; F72-K76 HydrophobicContact CD1-CG 4.28Å; F72-K76 HydrophobicContact CD2-CG 4.47Å; F72-K76 HydrophobicContact CE1-CG 3.9Å; F72-K76 HydrophobicContact CE2-CG 4.14Å; F72-K76 HydrophobicContact CZ-CG 3.85Å; F72-K76 WeakPolarHBondContact O-CB 3.29Å; F72-K76 WeakPolarHBondContact O-CG 3.23Å; F72-K76 PolarHBondContact O-N 3.01Å; F72-I78 HydrophobicContact CE1-CD1 4.48Å |
| 73 | F | 97.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -37.7 | -180 | -86.1 | -124.6 | 0 | 0 | 0 | 111.9 | F18 L20 L51 L69 K70 E77 I78 L80 I83 | F18-F73 HydrophobicContact CE2-CE1 4.07Å; F18-F73 AromaticContact CE2-CZ 3.91Å; F18-F73 HydrophobicContact CE2-CZ 3.91Å; F18-F73 AromaticContact CZ-CE1 3.61Å; F18-F73 HydrophobicContact CZ-CE1 3.61Å; F18-F73 AromaticContact CZ-CZ 3.87Å; F18-F73 HydrophobicContact CZ-CZ 3.87Å; L20-F73 HydrophobicContact CD1-CZ 4.19Å; L20-F73 HydrophobicContact CD2-CZ 4.36Å; L51-F73 HydrophobicContact CD2-CE2 3.75Å; L51-F73 HydrophobicContact CD2-CZ 4.15Å; L69-F73 HydrophobicContact CD1-CE2 4.14Å; L69-F73 HydrophobicContact CD2-CD2 4.46Å; L69-F73 HydrophobicContact CD2-CE2 4.37Å; L69-F73 HydrophobicContact CG-CD2 4.08Å; L69-F73 HydrophobicContact CG-CE2 3.95Å; L69-F73 WeakPolarHBondContact O-CD2 3.34Å; L69-F73 PolarHBondContact O-N 3.39Å; K70-F73 PolarHBondContact O-N 3.33Å; K70-F73 VanDerWaalsContact O-N 3.11Å; F73-E77 CarbonylContact O-C 3.58Å; F73-E77 WeakPolarHBondContact O-CA 3.27Å; F73-E77 PolarHBondContact O-N 2.91Å; F73-I78 HydrophobicContact CD1-CB 3.86Å; F73-I78 HydrophobicContact CD1-CG2 3.72Å; F73-I78 HydrophobicContact CE1-CB 4.39Å; F73-I78 HydrophobicContact CE1-CG2 3.81Å; F73-I78 HydrophobicContact CG-CB 4.28Å; F73-I78 PolarHBondContact O-N 3.02Å; F73-L80 HydrophobicContact CB-CD2 3.99Å; F73-L80 HydrophobicContact CB-CG 4.34Å; F73-L80 HydrophobicContact CD1-CD2 3.44Å; F73-L80 VanDerWaalsContact CD1-CD2 3.44Å; F73-L80 HydrophobicContact CD1-CG 4.11Å; F73-L80 HydrophobicContact CE1-CD2 3.98Å; F73-L80 HydrophobicContact CG-CD2 3.77Å; F73-I83 HydrophobicContact CD1-CD1 4.42Å; F73-I83 HydrophobicContact CE1-CD1 3.66Å; F73-I83 HydrophobicContact CE1-CG1 3.84Å; F73-I83 HydrophobicContact CZ-CD1 4.07Å; F73-I83 HydrophobicContact CZ-CG1 4.34Å |
| 74 | E | 97.5 | Very high | 96.8 | Very high | 115 Ų | 115 | 46.1 Ų | 46.1 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.6 | -45.7 | 173.8 | -73.2 | -177.6 | 168.5 | 0 | 0 | 111.4 | K70 D71 K76 E77 | K70-E74 WeakPolarHBondContact CE-OE1 3.47Å; K70-E74 HydrophobicContact CG-CG 4.42Å; K70-E74 IonicContact NZ-OE1 3.53Å; K70-E74 WeakPolarHBondContact O-CG 3.48Å; K70-E74 PolarHBondContact O-N 2.84Å; D71-E74 PolarHBondContact O-N 3.23Å; E74-K76 VanDerWaalsContact C-N 3.31Å; E74-K76 PolarHBondContact O-N 2.84Å; E74-E77 PolarHBondContact O-N 2.87Å; E74-E77 VanDerWaalsContact O-N 3.12Å |
| 75 | E | 97.1 | Very high | 97 | Very high | 123 Ų | 123 | 46.5 Ų | 46.5 | 58% | 0.575 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -57.8 | -42.3 | 176.5 | -174.5 | -160.3 | 140.7 | 0 | 0 | 112 | K54 D71 F72 E77 | K54-E75 IonicContact NZ-OE2 2.78Å; D71-E75 VanDerWaalsContact O-CB 3.24Å; D71-E75 WeakPolarHBondContact O-CB 3.19Å; D71-E75 PolarHBondContact O-N 3.46Å; F72-E75 PolarHBondContact O-N 3.37Å; E75-E77 VanDerWaalsContact C-N 3.32Å |
| 76 | K | 96.5 | Very high | 97 | Very high | 50 Ų | 50 | 46.5 Ų | 46.5 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 3.3 | -179.9 | -58.4 | -60.4 | 179.2 | 176.1 | 0 | 113.4 | E6 C10 K14 F72 E74 I78 | E6-K76 WeakPolarHBondContact OE1-CE 3Å; E6-K76 IonicContact OE1-NZ 3.96Å; E6-K76 PolarHBondContact OE1-NZ 3.46Å; C10-K76 HydrophobicContact CB-CB 4.36Å; K14-K76 WeakPolarHBondContact CE-O 3.35Å; K14-K76 PolarHBondContact NZ-O 3.12Å; F72-K76 HydrophobicContact CD1-CG 4.28Å; F72-K76 HydrophobicContact CD2-CG 4.47Å; F72-K76 HydrophobicContact CE1-CG 3.9Å; F72-K76 HydrophobicContact CE2-CG 4.14Å; F72-K76 HydrophobicContact CZ-CG 3.85Å; F72-K76 WeakPolarHBondContact O-CB 3.29Å; F72-K76 WeakPolarHBondContact O-CG 3.23Å; F72-K76 PolarHBondContact O-N 3.01Å; E74-K76 VanDerWaalsContact C-N 3.31Å; E74-K76 PolarHBondContact O-N 2.84Å; K76-I78 HydrophobicContact CB-CD1 3.88Å; K76-I78 HydrophobicContact CB-CG1 3.92Å; K76-I78 PolarHBondContact O-N 3.1Å |
| 77 | E | 97.6 | Very high | 97.1 | Very high | 141 Ų | 141 | 46.6 Ų | 46.6 | 66% | 0.659 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 34.4 | -177.5 | -49.6 | 174 | 119.9 | 0 | 0 | 113.7 | K14 F73 E74 E75 P79 | K14-E77 IonicContact NZ-OE2 3.19Å; K14-E77 PolarHBondContact NZ-OE2 3.32Å; K14-E77 VanDerWaalsContact NZ-OE2 3.12Å; F73-E77 CarbonylContact O-C 3.58Å; F73-E77 WeakPolarHBondContact O-CA 3.27Å; F73-E77 PolarHBondContact O-N 2.91Å; E74-E77 PolarHBondContact O-N 2.87Å; E74-E77 VanDerWaalsContact O-N 3.12Å; E75-E77 VanDerWaalsContact C-N 3.32Å; E77-P79 WeakPolarHBondContact O-CD 3.48Å |
| 78 | I | 98.1 | Very high | 97 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -88.1 | 118.9 | 177.6 | -58.3 | 171.2 | 0 | 0 | 0 | 108.4 | C10 L13 K14 F18 F72 F73 K76 L80 | C10-I78 HydrophobicContact CB-CD1 4.06Å; L13-I78 HydrophobicContact CB-CD1 4.24Å; L13-I78 HydrophobicContact CB-CG2 4.17Å; L13-I78 HydrophobicContact CD1-CD1 4.32Å; K14-I78 HydrophobicContact CG-CG1 4.21Å; F18-I78 HydrophobicContact CE1-CG2 4.07Å; F18-I78 HydrophobicContact CZ-CG2 3.96Å; F72-I78 HydrophobicContact CE1-CD1 4.48Å; F73-I78 HydrophobicContact CD1-CB 3.86Å; F73-I78 HydrophobicContact CD1-CG2 3.72Å; F73-I78 HydrophobicContact CE1-CB 4.39Å; F73-I78 HydrophobicContact CE1-CG2 3.81Å; F73-I78 HydrophobicContact CG-CB 4.28Å; F73-I78 PolarHBondContact O-N 3.02Å; K76-I78 HydrophobicContact CB-CD1 3.88Å; K76-I78 HydrophobicContact CB-CG1 3.92Å; K76-I78 PolarHBondContact O-N 3.1Å; I78-L80 PolarHBondContact O-N 3.23Å | ||
| 79 | P | 97.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 43.1 Ų | 43.1 | 34% | 0.344 | 23% | 0.23 | S | C | . | . | trans | -63.2 | 122.5 | 177.2 | -21.7 | 33.6 | 0 | 0 | 0 | 111.1 | E77 S81 N82 | E77-P79 WeakPolarHBondContact O-CD 3.48Å; P79-S81 WeakPolarHBondContact CB-OG 3.24Å; P79-S81 PolarHBondContact O-N 3.15Å; P79-S81 VanDerWaalsContact O-N 3.12Å; P79-N82 WeakPolarHBondContact O-CB 3.49Å; P79-N82 PolarHBondContact O-N 2.88Å | ||
| 80 | L | 97.2 | Very high | 96.5 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -58 | -26.7 | 174.7 | -73.1 | 168.5 | 0 | 0 | 0 | 112.3 | L69 K70 F73 I78 N82 I83 I108 V109 | L69-L80 HydrophobicContact CD2-CD2 3.98Å; K70-L80 HydrophobicContact CG-CD1 4.42Å; F73-L80 HydrophobicContact CB-CD2 3.99Å; F73-L80 HydrophobicContact CB-CG 4.34Å; F73-L80 HydrophobicContact CD1-CD2 3.44Å; F73-L80 VanDerWaalsContact CD1-CD2 3.44Å; F73-L80 HydrophobicContact CD1-CG 4.11Å; F73-L80 HydrophobicContact CE1-CD2 3.98Å; F73-L80 HydrophobicContact CG-CD2 3.77Å; I78-L80 PolarHBondContact O-N 3.23Å; L80-N82 PolarHBondContact O-N 3.43Å; L80-N82 VanDerWaalsContact O-N 3.14Å; L80-I83 HydrophobicContact CD2-CD1 3.69Å; L80-I83 WeakPolarHBondContact O-CB 3.28Å; L80-I83 WeakPolarHBondContact O-CG1 3.21Å; L80-I83 PolarHBondContact O-N 2.73Å; L80-I83 VanDerWaalsContact O-N 3.07Å; L80-I108 HydrophobicContact CB-CG2 4.13Å; L80-I108 HydrophobicContact CD1-CD1 3.81Å; L80-I108 HydrophobicContact CD1-CG2 4.05Å; L80-V109 HydrophobicContact CB-CG2 4.32Å; L80-V109 WeakPolarHBondContact O-CG2 3.36Å |
| 81 | S | 96.5 | Very high | 96.2 | Very high | 80 Ų | 80 | 42.7 Ų | 42.7 | 56% | 0.559 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -61.1 | -15.8 | 174.2 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | P79 I83 | P79-S81 WeakPolarHBondContact CB-OG 3.24Å; P79-S81 PolarHBondContact O-N 3.15Å; P79-S81 VanDerWaalsContact O-N 3.12Å; S81-I83 VanDerWaalsContact C-N 3.27Å |
| 82 | N | 97.4 | Very high | 96 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -79 | -12.8 | 176.3 | -68.5 | -2 | 0 | 0 | 0 | 112.5 | L13 K14 Q17 F18 P79 L80 T84 | L13-N82 PolarHBondContact O-ND2 3.38Å; K14-N82 VanDerWaalsContact C-ND2 3.34Å; K14-N82 PolarHBondContact O-ND2 2.84Å; Q17-N82 WeakPolarHBondContact CA-O 3.44Å; F18-N82 HydrophobicContact CD1-CB 4.15Å; F18-N82 HydrophobicContact CE1-CB 3.7Å; F18-N82 PolarHBondContact N-O 2.99Å; P79-N82 WeakPolarHBondContact O-CB 3.49Å; P79-N82 PolarHBondContact O-N 2.88Å; L80-N82 PolarHBondContact O-N 3.43Å; L80-N82 VanDerWaalsContact O-N 3.14Å; N82-T84 PolarHBondContact O-N 2.88Å |
| 83 | I | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 120.1 | 175.4 | -48.5 | 164.5 | 0 | 0 | 0 | 108.5 | F18 L20 F73 L80 S81 L105 I112 | F18-I83 HydrophobicContact CE2-CG1 3.85Å; F18-I83 HydrophobicContact CZ-CG1 3.97Å; F18-I83 WeakPolarHBondContact O-CA 3.44Å; L20-I83 HydrophobicContact CB-CG2 4.48Å; L20-I83 HydrophobicContact CD1-CD1 3.6Å; L20-I83 HydrophobicContact CD1-CG1 4Å; L20-I83 HydrophobicContact CD1-CG2 3.82Å; L20-I83 HydrophobicContact CG-CG2 4.07Å; F73-I83 HydrophobicContact CD1-CD1 4.42Å; F73-I83 HydrophobicContact CE1-CD1 3.66Å; F73-I83 HydrophobicContact CE1-CG1 3.84Å; F73-I83 HydrophobicContact CZ-CD1 4.07Å; F73-I83 HydrophobicContact CZ-CG1 4.34Å; L80-I83 HydrophobicContact CD2-CD1 3.69Å; L80-I83 WeakPolarHBondContact O-CB 3.28Å; L80-I83 WeakPolarHBondContact O-CG1 3.21Å; L80-I83 PolarHBondContact O-N 2.73Å; L80-I83 VanDerWaalsContact O-N 3.07Å; S81-I83 VanDerWaalsContact C-N 3.27Å; I83-L105 HydrophobicContact CD1-CD1 4.26Å; I83-I112 HydrophobicContact CB-CD1 3.96Å; I83-I112 HydrophobicContact CG2-CD1 3.48Å; I83-I112 VanDerWaalsContact CG2-CD1 3.48Å; I83-I112 WeakPolarHBondContact O-CD1 3.44Å |
| 84 | T | 97.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -33.3 | -179.2 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | Q17 F18 N82 I112 V113 | Q17-T84 HydrophobicContact CB-CG2 3.77Å; Q17-T84 HydrophobicContact CG-CG2 4Å; F18-T84 PolarHBondContact O-N 3.36Å; F18-T84 PolarHBondContact O-OG1 2.86Å; N82-T84 PolarHBondContact O-N 2.88Å; T84-I112 VanDerWaalsContact C-CD1 3.45Å; T84-V113 PolarHBondContact O-N 3Å |
| 85 | A | 97.7 | Very high | 95.6 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S19 L20 V113 | S19-A85 CarbonylContact C-O 3.52Å; S19-A85 VanDerWaalsContact CA-O 3.29Å; S19-A85 WeakPolarHBondContact CA-O 3.49Å; L20-A85 PolarHBondContact N-O 2.87Å; A85-V113 CarbonylContact C-O 3.45Å; A85-V113 WeakPolarHBondContact CA-O 3.4Å; A85-V113 HydrophobicContact CB-CB 4.06Å; A85-V113 WeakPolarHBondContact CB-O 3.29Å |
| 86 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130 | 171.9 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | L20 L22 T88 F101 I102 L105 I112 V113 A114 V115 | L20-V86 HydrophobicContact CB-CB 4.43Å; L20-V86 HydrophobicContact CB-CG2 4.01Å; L20-V86 CarbonylContact O-C 3.55Å; L20-V86 WeakPolarHBondContact O-CA 3.45Å; L22-V86 HydrophobicContact CD1-CG2 3.63Å; L22-V86 HydrophobicContact CG-CG2 3.93Å; V86-T88 HydrophobicContact CG2-CG2 3.97Å; V86-F101 HydrophobicContact CG2-CE1 4.1Å; V86-I102 HydrophobicContact CG1-CG1 4.13Å; V86-L105 HydrophobicContact CB-CD2 4.47Å; V86-L105 HydrophobicContact CG1-CD2 4.26Å; V86-I112 HydrophobicContact CG1-CG1 4.3Å; V86-V113 PolarHBondContact N-O 2.88Å; V86-A114 HydrophobicContact CG1-CB 4.13Å; V86-A114 WeakPolarHBondContact O-CA 3.4Å; V86-V115 PolarHBondContact O-N 3.13Å |
| 87 | A | 96.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L20 Q21 L22 V115 | L20-A87 PolarHBondContact O-N 3.17Å; Q21-A87 WeakPolarHBondContact CA-O 3.32Å; Q21-A87 HydrophobicContact CB-CB 4.28Å; Q21-A87 HydrophobicContact CG-CB 4.11Å; L22-A87 PolarHBondContact N-O 3.26Å; A87-V115 VanDerWaalsContact CA-O 3.3Å; A87-V115 WeakPolarHBondContact CA-O 3.4Å; A87-V115 HydrophobicContact CB-CG2 3.66Å |
| 88 | T | 94.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 161.4 | 178.4 | 74.2 | 0 | 0 | 0 | 0 | 110.8 | L22 V86 G90 M94 I102 V115 N116 C117 | L22-T88 HydrophobicContact CB-CG2 4.36Å; V86-T88 HydrophobicContact CG2-CG2 3.97Å; T88-G90 PolarHBondContact O-N 2.98Å; T88-G90 VanDerWaalsContact O-N 3.11Å; T88-G90 PolarHBondContact OG1-N 2.92Å; T88-M94 HydrophobicContact CG2-CB 4.14Å; T88-M94 HydrophobicContact CG2-CE 3.76Å; T88-M94 HydrophobicContact CG2-CG 4.47Å; T88-I102 HydrophobicContact CG2-CD1 4.17Å; T88-I102 HydrophobicContact CG2-CG1 4.47Å; T88-V115 PolarHBondContact N-O 3.03Å; T88-V115 VanDerWaalsContact N-O 3.09Å; T88-N116 CarbonylContact O-C 3.48Å; T88-N116 WeakPolarHBondContact O-CA 3.11Å; T88-C117 WeakPolarHBondContact O-CB 3.39Å; T88-C117 PolarHBondContact O-N 2.82Å |
| 89 | D | 90.5 | Very high | 94.5 | Very high | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | trans | -64.2 | -12.6 | 178.1 | 77.1 | -26.5 | 0 | 0 | 0 | 114 | A91 H120 | D89-A91 VanDerWaalsContact OD1-CB 3.25Å; D89-A91 WeakPolarHBondContact OD1-CB 3.43Å; D89-A91 PolarHBondContact OD1-N 3.39Å; D89-H120 PolarHBondContact O-CD2 2.84Å; D89-H120 VanDerWaalsContact O-CG 3.27Å | ||
| 90 | G | 90.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | trans | 88.2 | 8.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | T88 T95 | T88-G90 PolarHBondContact O-N 2.98Å; T88-G90 VanDerWaalsContact O-N 3.11Å; T88-G90 PolarHBondContact OG1-N 2.92Å; G90-T95 PolarHBondContact O-OG1 2.97Å | ||
| 91 | A | 91.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | trans | -56.1 | 151.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D89 A93 M94 T95 | D89-A91 VanDerWaalsContact OD1-CB 3.25Å; D89-A91 WeakPolarHBondContact OD1-CB 3.43Å; D89-A91 PolarHBondContact OD1-N 3.39Å; A91-A93 PolarHBondContact O-N 3.48Å; A91-M94 HydrophobicContact CB-CG 4.38Å; A91-M94 WeakPolarHBondContact O-CA 3.5Å; A91-M94 PolarHBondContact O-N 3.4Å; A91-T95 PolarHBondContact O-N 2.93Å; A91-T95 PolarHBondContact O-OG1 2.74Å; A91-T95 VanDerWaalsContact O-OG1 3.04Å | ||
| 92 | P | 93.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 72% | 0.721 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -56.8 | -32.5 | 177.4 | -27.2 | 35.6 | 0 | 0 | 0 | 113.8 | M94 G96 | P92-M94 VanDerWaalsContact C-N 3.26Å; P92-M94 PolarHBondContact O-N 3.26Å; P92-G96 VanDerWaalsContact O-CA 3.29Å; P92-G96 WeakPolarHBondContact O-CA 3.45Å; P92-G96 PolarHBondContact O-N 3.1Å |
| 93 | A | 93.9 | Very high | 94.2 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -34 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T60 G62 I65 A91 G100 F101 | T60-A93 WeakPolarHBondContact O-CB 3.4Å; G62-A93 WeakPolarHBondContact CA-O 3.34Å; I65-A93 HydrophobicContact CD1-CB 4.49Å; A91-A93 PolarHBondContact O-N 3.48Å; A93-G100 CarbonylContact O-C 3.52Å; A93-G100 WeakPolarHBondContact O-CA 3.42Å; A93-F101 PolarHBondContact O-N 3.4Å |
| 94 | M | 95.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84.8 | -44.8 | -179.9 | -58.4 | -56.2 | -99.6 | 0 | 0 | 112.2 | L22 F34 I65 T88 A91 P92 F101 I102 | L22-M94 HydrophobicContact CB-CE 3.61Å; L22-M94 HydrophobicContact CD1-CE 4.04Å; F34-M94 HydrophobicContact CE2-CE 4.35Å; I65-M94 HydrophobicContact CD1-SD 3.87Å; I65-M94 HydrophobicContact CG2-CE 4.44Å; I65-M94 HydrophobicContact CG2-SD 4.24Å; T88-M94 HydrophobicContact CG2-CB 4.14Å; T88-M94 HydrophobicContact CG2-CE 3.76Å; T88-M94 HydrophobicContact CG2-CG 4.47Å; A91-M94 HydrophobicContact CB-CG 4.38Å; A91-M94 WeakPolarHBondContact O-CA 3.5Å; A91-M94 PolarHBondContact O-N 3.4Å; P92-M94 VanDerWaalsContact C-N 3.26Å; P92-M94 PolarHBondContact O-N 3.26Å; M94-F101 PolarHBondContact O-N 2.8Å; M94-F101 HydrophobicContact SD-CB 3.97Å; M94-F101 HydrophobicContact SD-CG 4.41Å; M94-I102 WeakPolarHBondContact O-CB 3.24Å; M94-I102 WeakPolarHBondContact O-CG1 3.42Å; M94-I102 PolarHBondContact O-N 3.33Å |
| 95 | T | 94.6 | Very high | 94.1 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -102.8 | -2.8 | -168.7 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | G90 A91 R97 I102 | G90-T95 PolarHBondContact O-OG1 2.97Å; A91-T95 PolarHBondContact O-N 2.93Å; A91-T95 PolarHBondContact O-OG1 2.74Å; A91-T95 VanDerWaalsContact O-OG1 3.04Å; T95-R97 PolarHBondContact O-N 3.02Å; T95-I102 HydrophobicContact CG2-CD1 3.88Å |
| 96 | G | 93.5 | Very high | 94.1 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 24% | 0.237 | 27% | 0.267 | C | S | . | . | trans | -52.4 | 130.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P92 Q98 G100 A103 | P92-G96 VanDerWaalsContact O-CA 3.29Å; P92-G96 WeakPolarHBondContact O-CA 3.45Å; P92-G96 PolarHBondContact O-N 3.1Å; G96-Q98 VanDerWaalsContact C-N 3.3Å; G96-Q98 PolarHBondContact O-N 3.02Å; G96-G100 VanDerWaalsContact O-CA 3.23Å; G96-G100 WeakPolarHBondContact O-CA 3.31Å; G96-G100 PolarHBondContact O-N 3.05Å; G96-A103 WeakPolarHBondContact O-CB 3.27Å | ||
| 97 | R | 91 | Very high | 94 | Very high | 239 Ų | 239 | 58.8 Ų | 58.8 | 90% | 0.902 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -34 | -170.3 | -174.4 | 177 | -179.4 | -179.6 | 1.4 | 114.9 | T95 A103 | T95-R97 PolarHBondContact O-N 3.02Å; R97-A103 WeakPolarHBondContact O-CB 3.13Å |
| 98 | Q | 88.4 | Confident | 94 | Very high | 157 Ų | 157 | 61.8 Ų | 61.8 | 73% | 0.734 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -40 | -176.5 | -69 | -178.4 | -7.2 | 0 | 0 | 113.1 | G96 | G96-Q98 VanDerWaalsContact C-N 3.3Å; G96-Q98 PolarHBondContact O-N 3.02Å |
| 99 | R | 91.6 | Very high | 94.1 | Very high | 198 Ų | 198 | 62.5 Ų | 62.5 | 75% | 0.747 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 7 | -174.3 | -62 | -175 | -178.8 | 169.2 | -1.4 | 113.6 | ||
| 100 | G | 94.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -77.3 | 154.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A93 G96 I102 A103 Q104 | A93-G100 CarbonylContact O-C 3.52Å; A93-G100 WeakPolarHBondContact O-CA 3.42Å; G96-G100 VanDerWaalsContact O-CA 3.23Å; G96-G100 WeakPolarHBondContact O-CA 3.31Å; G96-G100 PolarHBondContact O-N 3.05Å; G100-I102 VanDerWaalsContact C-N 3.27Å; G100-I102 PolarHBondContact O-N 3.17Å; G100-A103 WeakPolarHBondContact O-CB 3.21Å; G100-A103 PolarHBondContact O-N 3.15Å; G100-Q104 PolarHBondContact O-N 3.36Å; G100-Q104 VanDerWaalsContact O-N 3.13Å |
| 101 | F | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -48.6 | -49 | 175.3 | 171.1 | -89.1 | 0 | 0 | 0 | 112 | L22 I65 F66 L69 V86 A93 M94 A103 Q104 L105 | L22-F101 HydrophobicContact CD1-CD1 3.98Å; L22-F101 HydrophobicContact CD1-CE1 3.32Å; L22-F101 HydrophobicContact CD1-CE2 3.94Å; L22-F101 HydrophobicContact CD1-CZ 3.29Å; I65-F101 HydrophobicContact CB-CD2 4.33Å; I65-F101 HydrophobicContact CG2-CD2 3.73Å; I65-F101 HydrophobicContact CG2-CE2 4.3Å; I65-F101 HydrophobicContact CG2-CG 4.42Å; F66-F101 HydrophobicContact CB-CD2 3.78Å; F66-F101 HydrophobicContact CB-CE2 4.2Å; F66-F101 HydrophobicContact CD2-CD2 4.4Å; F66-F101 HydrophobicContact CD2-CE2 4.19Å; L69-F101 HydrophobicContact CB-CE2 4.08Å; L69-F101 HydrophobicContact CD1-CE2 4.42Å; L69-F101 HydrophobicContact CD1-CZ 4.25Å; L69-F101 HydrophobicContact CD2-CE2 4.17Å; L69-F101 HydrophobicContact CD2-CZ 3.99Å; L69-F101 HydrophobicContact CG-CE2 4.45Å; V86-F101 HydrophobicContact CG2-CE1 4.1Å; A93-F101 PolarHBondContact O-N 3.4Å; M94-F101 PolarHBondContact O-N 2.8Å; M94-F101 HydrophobicContact SD-CB 3.97Å; M94-F101 HydrophobicContact SD-CG 4.41Å; F101-A103 VanDerWaalsContact C-N 3.28Å; F101-A103 PolarHBondContact O-N 3.38Å; F101-Q104 PolarHBondContact O-N 3.27Å; F101-Q104 VanDerWaalsContact O-N 3.16Å; F101-L105 HydrophobicContact CE1-CB 4.34Å; F101-L105 HydrophobicContact CE1-CD2 3.84Å; F101-L105 HydrophobicContact CZ-CD2 4.16Å; F101-L105 PolarHBondContact O-N 2.98Å |
| 102 | I | 96.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 70.2 Ų | 70.2 | 9% | 0.087 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | -178.6 | -68.6 | 161.5 | 0 | 0 | 0 | 111.2 | V86 T88 M94 T95 G100 Q104 L105 K106 A114 | V86-I102 HydrophobicContact CG1-CG1 4.13Å; T88-I102 HydrophobicContact CG2-CD1 4.17Å; T88-I102 HydrophobicContact CG2-CG1 4.47Å; M94-I102 WeakPolarHBondContact O-CB 3.24Å; M94-I102 WeakPolarHBondContact O-CG1 3.42Å; M94-I102 PolarHBondContact O-N 3.33Å; T95-I102 HydrophobicContact CG2-CD1 3.88Å; G100-I102 VanDerWaalsContact C-N 3.27Å; G100-I102 PolarHBondContact O-N 3.17Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; I102-L105 PolarHBondContact O-N 2.87Å; I102-K106 HydrophobicContact CG2-CD 4.15Å; I102-K106 HydrophobicContact CG2-CG 4.44Å; I102-K106 WeakPolarHBondContact O-CB 3.44Å; I102-K106 WeakPolarHBondContact O-CG 3.4Å; I102-K106 PolarHBondContact O-N 3.02Å; I102-A114 HydrophobicContact CD1-CB 3.83Å; I102-A114 HydrophobicContact CG1-CB 4.19Å; I102-A114 HydrophobicContact CG2-CB 3.71Å |
| 103 | A | 96.4 | Very high | 95 | Very high | 20 Ų | 20 | 68.9 Ų | 68.9 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G96 R97 G100 F101 | G96-A103 WeakPolarHBondContact O-CB 3.27Å; R97-A103 WeakPolarHBondContact O-CB 3.13Å; G100-A103 WeakPolarHBondContact O-CB 3.21Å; G100-A103 PolarHBondContact O-N 3.15Å; F101-A103 VanDerWaalsContact C-N 3.28Å; F101-A103 PolarHBondContact O-N 3.38Å |
| 104 | Q | 96.6 | Very high | 95.1 | Very high | 32 Ų | 32 | 69.5 Ų | 69.5 | 15% | 0.15 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.8 | -47.2 | 173.3 | -61.8 | -67.2 | 7.9 | 0 | 0 | 111.3 | F66 G100 F101 I102 K106 Q107 | F66-Q104 HydrophobicContact CB-CB 4.05Å; F66-Q104 HydrophobicContact CB-CG 4.42Å; F66-Q104 HydrophobicContact CD1-CB 3.73Å; F66-Q104 HydrophobicContact CD1-CG 4.3Å; F66-Q104 HydrophobicContact CD2-CB 3.84Å; F66-Q104 HydrophobicContact CE1-CB 4.1Å; F66-Q104 HydrophobicContact CE2-CB 4.22Å; F66-Q104 HydrophobicContact CG-CB 3.57Å; F66-Q104 HydrophobicContact CG-CG 4.32Å; F66-Q104 HydrophobicContact CZ-CB 4.32Å; G100-Q104 PolarHBondContact O-N 3.36Å; G100-Q104 VanDerWaalsContact O-N 3.13Å; F101-Q104 PolarHBondContact O-N 3.27Å; F101-Q104 VanDerWaalsContact O-N 3.16Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.47Å; Q104-Q107 WeakPolarHBondContact O-CB 3.47Å; Q104-Q107 PolarHBondContact O-N 3.49Å |
| 105 | L | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59 | -38.8 | 179 | -176.8 | 60.2 | 0 | 0 | 0 | 112.1 | F66 I83 V86 F101 I102 Q107 I108 V109 I112 | F66-L105 HydrophobicContact CD2-CB 4.47Å; F66-L105 HydrophobicContact CE2-CB 4.36Å; F66-L105 HydrophobicContact CE2-CD1 4.35Å; I83-L105 HydrophobicContact CD1-CD1 4.26Å; V86-L105 HydrophobicContact CB-CD2 4.47Å; V86-L105 HydrophobicContact CG1-CD2 4.26Å; F101-L105 HydrophobicContact CE1-CB 4.34Å; F101-L105 HydrophobicContact CE1-CD2 3.84Å; F101-L105 HydrophobicContact CZ-CD2 4.16Å; F101-L105 PolarHBondContact O-N 2.98Å; I102-L105 PolarHBondContact O-N 2.87Å; L105-Q107 PolarHBondContact O-N 3.2Å; L105-I108 PolarHBondContact O-N 3.48Å; L105-V109 HydrophobicContact CD1-CG2 4.41Å; L105-V109 PolarHBondContact O-N 3.33Å; L105-I112 HydrophobicContact CD2-CD1 4.45Å; L105-I112 HydrophobicContact CD2-CG1 4.05Å |
| 106 | K | 96.6 | Very high | 95 | Very high | 96 Ų | 96 | 72.5 Ų | 72.5 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -20.6 | 176.1 | -83.5 | -177.9 | 175.2 | -162.3 | 0 | 114.8 | I102 Q104 I108 P110 I112 | I102-K106 HydrophobicContact CG2-CD 4.15Å; I102-K106 HydrophobicContact CG2-CG 4.44Å; I102-K106 WeakPolarHBondContact O-CB 3.44Å; I102-K106 WeakPolarHBondContact O-CG 3.4Å; I102-K106 PolarHBondContact O-N 3.02Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.47Å; K106-I108 VanDerWaalsContact C-N 3.27Å; K106-P110 VanDerWaalsContact O-CA 3.25Å; K106-P110 WeakPolarHBondContact O-CA 3.25Å; K106-I112 HydrophobicContact CB-CG2 4.5Å; K106-I112 HydrophobicContact CD-CG2 4.39Å; K106-I112 HydrophobicContact CG-CG2 3.42Å; K106-I112 VanDerWaalsContact CG-CG2 3.42Å |
| 107 | Q | 96 | Very high | 94.9 | Very high | 139 Ų | 139 | 72.6 Ų | 72.6 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -72 | -27.2 | 174.3 | -65.1 | 171.4 | 37.5 | 0 | 0 | 111.7 | Q104 L105 | Q104-Q107 WeakPolarHBondContact O-CB 3.47Å; Q104-Q107 PolarHBondContact O-N 3.49Å; L105-Q107 PolarHBondContact O-N 3.2Å |
| 108 | I | 95.6 | Very high | 94.8 | Very high | 82 Ų | 82 | 65.9 Ų | 65.9 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -96.6 | -39.1 | 179.1 | -55.5 | -171.1 | 0 | 0 | 0 | 111.2 | F66 L80 L105 K106 | F66-I108 HydrophobicContact CE2-CD1 4.37Å; F66-I108 HydrophobicContact CZ-CD1 3.63Å; F66-I108 HydrophobicContact CZ-CG1 4.39Å; L80-I108 HydrophobicContact CB-CG2 4.13Å; L80-I108 HydrophobicContact CD1-CD1 3.81Å; L80-I108 HydrophobicContact CD1-CG2 4.05Å; L105-I108 PolarHBondContact O-N 3.48Å; K106-I108 VanDerWaalsContact C-N 3.27Å |
| 109 | V | 96.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | trans | -124.7 | 82 | -179.8 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | L80 L105 D111 I112 | L80-V109 HydrophobicContact CB-CG2 4.32Å; L80-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 HydrophobicContact CD1-CG2 4.41Å; L105-V109 PolarHBondContact O-N 3.33Å; V109-D111 PolarHBondContact O-N 2.97Å; V109-I112 HydrophobicContact CB-CB 4.22Å; V109-I112 HydrophobicContact CG1-CB 3.99Å; V109-I112 HydrophobicContact CG1-CD1 4.38Å; V109-I112 WeakPolarHBondContact O-CB 3.32Å; V109-I112 WeakPolarHBondContact O-CG2 3.04Å; V109-I112 PolarHBondContact O-N 3.05Å; V109-I112 VanDerWaalsContact O-N 3.16Å | ||
| 110 | P | 96.3 | Very high | 94.6 | Very high | 92 Ų | 92 | 57.8 Ų | 57.8 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35.5 | -172.4 | -26.1 | 35.3 | 0 | 0 | 0 | 114.1 | K106 I112 | K106-P110 VanDerWaalsContact O-CA 3.25Å; K106-P110 WeakPolarHBondContact O-CA 3.25Å; P110-I112 VanDerWaalsContact C-N 3.28Å; P110-I112 PolarHBondContact O-N 3.44Å |
| 111 | D | 95.6 | Very high | 94.3 | Very high | 150 Ų | 150 | 65 Ų | 65 | 80% | 0.802 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 7.2 | -175.3 | -58.6 | -43.1 | 0 | 0 | 0 | 113.5 | V109 V113 | V109-D111 PolarHBondContact O-N 2.97Å; D111-V113 PolarHBondContact O-N 3.39Å |
| 112 | I | 96.4 | Very high | 94 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | trans | -59.3 | 128.5 | -179.6 | -169.4 | 76.1 | 0 | 0 | 0 | 111.5 | I83 T84 V86 L105 K106 V109 P110 A114 | I83-I112 HydrophobicContact CB-CD1 3.96Å; I83-I112 HydrophobicContact CG2-CD1 3.48Å; I83-I112 VanDerWaalsContact CG2-CD1 3.48Å; I83-I112 WeakPolarHBondContact O-CD1 3.44Å; T84-I112 VanDerWaalsContact C-CD1 3.45Å; V86-I112 HydrophobicContact CG1-CG1 4.3Å; L105-I112 HydrophobicContact CD2-CD1 4.45Å; L105-I112 HydrophobicContact CD2-CG1 4.05Å; K106-I112 HydrophobicContact CB-CG2 4.5Å; K106-I112 HydrophobicContact CD-CG2 4.39Å; K106-I112 HydrophobicContact CG-CG2 3.42Å; K106-I112 VanDerWaalsContact CG-CG2 3.42Å; V109-I112 HydrophobicContact CB-CB 4.22Å; V109-I112 HydrophobicContact CG1-CB 3.99Å; V109-I112 HydrophobicContact CG1-CD1 4.38Å; V109-I112 WeakPolarHBondContact O-CB 3.32Å; V109-I112 WeakPolarHBondContact O-CG2 3.04Å; V109-I112 PolarHBondContact O-N 3.05Å; V109-I112 VanDerWaalsContact O-N 3.16Å; P110-I112 VanDerWaalsContact C-N 3.28Å; P110-I112 PolarHBondContact O-N 3.44Å; I112-A114 PolarHBondContact O-N 2.84Å | ||
| 113 | V | 97.2 | Very high | 93.6 | Very high | 83 Ų | 83 | 74.6 Ų | 74.6 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | T84 A85 V86 D111 V115 | T84-V113 PolarHBondContact O-N 3Å; A85-V113 CarbonylContact C-O 3.45Å; A85-V113 WeakPolarHBondContact CA-O 3.4Å; A85-V113 HydrophobicContact CB-CB 4.06Å; A85-V113 WeakPolarHBondContact CB-O 3.29Å; V86-V113 PolarHBondContact N-O 2.88Å; D111-V113 PolarHBondContact O-N 3.39Å; V113-V115 HydrophobicContact CG1-CG1 4.11Å |
| 114 | A | 95.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 77.6 Ų | 77.6 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | V86 I102 I112 | V86-A114 HydrophobicContact CG1-CB 4.13Å; V86-A114 WeakPolarHBondContact O-CA 3.4Å; I102-A114 HydrophobicContact CD1-CB 3.83Å; I102-A114 HydrophobicContact CG1-CB 4.19Å; I102-A114 HydrophobicContact CG2-CB 3.71Å; I112-A114 PolarHBondContact O-N 2.84Å |
| 115 | V | 94.8 | Very high | 92.8 | Very high | 68 Ų | 68 | 78.9 Ų | 78.9 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.5 | 178.3 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | V86 A87 T88 V113 | V86-V115 PolarHBondContact O-N 3.13Å; A87-V115 VanDerWaalsContact CA-O 3.3Å; A87-V115 WeakPolarHBondContact CA-O 3.4Å; A87-V115 HydrophobicContact CB-CG2 3.66Å; T88-V115 PolarHBondContact N-O 3.03Å; T88-V115 VanDerWaalsContact N-O 3.09Å; V113-V115 HydrophobicContact CG1-CG1 4.11Å |
| 116 | N | 92.2 | Very high | 92.4 | Very high | 62 Ų | 62 | 80.9 Ų | 80.9 | 33% | 0.332 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 143.1 | 171.1 | -64.7 | 26.7 | 0 | 0 | 0 | 109.4 | T88 V118 R121 | T88-N116 CarbonylContact O-C 3.48Å; T88-N116 WeakPolarHBondContact O-CA 3.11Å; N116-V118 PolarHBondContact O-N 3.33Å; N116-R121 HydrophobicContact CB-CG 4.34Å |
| 117 | C | 91.1 | Very high | 92 | Very high | 25 Ų | 25 | 82.9 Ų | 82.9 | 17% | 0.169 | 44% | 0.444 | C | S | . | . | trans | -56.9 | 125.9 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | T88 I119 H120 R121 | T88-C117 WeakPolarHBondContact O-CB 3.39Å; T88-C117 PolarHBondContact O-N 2.82Å; C117-I119 VanDerWaalsContact C-N 3.31Å; C117-I119 PolarHBondContact O-N 2.91Å; C117-H120 HydrophobicContact CB-CB 4.04Å; C117-H120 PolarHBondContact O-N 3.32Å; C117-R121 PolarHBondContact O-N 2.99Å | ||
| 118 | V | 89.5 | Confident | 91.6 | Very high | 98 Ų | 98 | 87 Ų | 87 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | -179.9 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | N116 H120 R121 E122 | N116-V118 PolarHBondContact O-N 3.33Å; V118-H120 VanDerWaalsContact C-N 3.31Å; V118-H120 PolarHBondContact O-N 2.8Å; V118-R121 WeakPolarHBondContact O-CB 3.25Å; V118-R121 PolarHBondContact O-N 3.25Å; V118-R121 VanDerWaalsContact O-N 3.1Å; V118-E122 HydrophobicContact CG1-CG 4.29Å; V118-E122 WeakPolarHBondContact O-CG 3.34Å; V118-E122 PolarHBondContact O-N 3.11Å |
| 119 | I | 88.4 | Confident | 91.4 | Very high | 122 Ų | 122 | 85.7 Ų | 85.7 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 179.1 | -58.9 | 172 | 0 | 0 | 0 | 110.6 | C117 E122 H123 | C117-I119 VanDerWaalsContact C-N 3.31Å; C117-I119 PolarHBondContact O-N 2.91Å; I119-E122 PolarHBondContact O-N 3.31Å; I119-H123 WeakPolarHBondContact O-CB 3.31Å; I119-H123 PolarHBondContact O-N 3.42Å |
| 120 | H | 86.8 | Confident | 91.2 | Very high | 63 Ų | 63 | 88.1 Ų | 88.1 | 29% | 0.292 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 177 | -164.4 | 98.9 | 0 | 0 | 0 | 111.4 | D89 C117 V118 H123 L124 | D89-H120 PolarHBondContact O-CD2 2.84Å; D89-H120 VanDerWaalsContact O-CG 3.27Å; C117-H120 HydrophobicContact CB-CB 4.04Å; C117-H120 PolarHBondContact O-N 3.32Å; V118-H120 VanDerWaalsContact C-N 3.31Å; V118-H120 PolarHBondContact O-N 2.8Å; H120-H123 PolarHBondContact O-N 2.73Å; H120-L124 VanDerWaalsContact O-CG 3.32Å; H120-L124 WeakPolarHBondContact O-CG 3.21Å; H120-L124 PolarHBondContact O-N 2.6Å |
| 121 | R | 87.9 | Confident | 91 | Very high | 151 Ų | 151 | 90.5 Ų | 90.5 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 174.5 | -76.4 | -172.1 | 168.8 | 170.1 | 3.5 | 112.5 | N116 C117 V118 L124 A125 | N116-R121 HydrophobicContact CB-CG 4.34Å; C117-R121 PolarHBondContact O-N 2.99Å; V118-R121 WeakPolarHBondContact O-CB 3.25Å; V118-R121 PolarHBondContact O-N 3.25Å; V118-R121 VanDerWaalsContact O-N 3.1Å; R121-L124 PolarHBondContact O-N 3.16Å; R121-A125 WeakPolarHBondContact O-CB 3.27Å; R121-A125 PolarHBondContact O-N 3.39Å |
| 122 | E | 89.9 | Confident | 90.9 | Very high | 123 Ų | 123 | 93.3 Ų | 93.3 | 58% | 0.575 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 176.5 | -73.2 | 176.7 | 173.1 | 0 | 0 | 111.4 | V118 I119 L124 A125 A126 | V118-E122 HydrophobicContact CG1-CG 4.29Å; V118-E122 WeakPolarHBondContact O-CG 3.34Å; V118-E122 PolarHBondContact O-N 3.11Å; I119-E122 PolarHBondContact O-N 3.31Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-L124 PolarHBondContact O-N 2.67Å; E122-A125 WeakPolarHBondContact O-CB 3.33Å; E122-A125 PolarHBondContact O-N 2.77Å; E122-A126 WeakPolarHBondContact O-CB 3.47Å; E122-A126 PolarHBondContact O-N 2.88Å |
| 123 | H | 88.3 | Confident | 90.7 | Very high | 97 Ų | 97 | 97.2 Ų | 97.2 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.9 | 178.6 | 59.1 | 0 | 0 | 0 | 112.3 | I119 H120 A125 A126 K127 | I119-H123 WeakPolarHBondContact O-CB 3.31Å; I119-H123 PolarHBondContact O-N 3.42Å; H120-H123 PolarHBondContact O-N 2.73Å; H123-A125 VanDerWaalsContact C-N 3.34Å; H123-A125 PolarHBondContact O-N 3.19Å; H123-A126 PolarHBondContact O-N 2.8Å; H123-K127 VanDerWaalsContact NE2-CE 3.33Å; H123-K127 WeakPolarHBondContact NE2-CE 3.49Å; H123-K127 PolarHBondContact NE2-NZ 2.95Å; H123-K127 WeakPolarHBondContact O-CG 3.38Å; H123-K127 PolarHBondContact O-N 3.4Å |
| 124 | L | 88.1 | Confident | 90.4 | Very high | 82 Ų | 82 | 95.4 Ų | 95.4 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.2 | -70.7 | 178.1 | 0 | 0 | 0 | 112.3 | H120 R121 E122 K127 R128 | H120-L124 VanDerWaalsContact O-CG 3.32Å; H120-L124 WeakPolarHBondContact O-CG 3.21Å; H120-L124 PolarHBondContact O-N 2.6Å; R121-L124 PolarHBondContact O-N 3.16Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-L124 PolarHBondContact O-N 2.67Å; L124-K127 PolarHBondContact O-N 2.9Å; L124-R128 PolarHBondContact O-N 3.01Å |
| 125 | A | 89.7 | Confident | 90.3 | Very high | 59 Ų | 59 | 96.8 Ų | 96.8 | 49% | 0.488 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R121 E122 H123 K127 R128 L129 | R121-A125 WeakPolarHBondContact O-CB 3.27Å; R121-A125 PolarHBondContact O-N 3.39Å; E122-A125 WeakPolarHBondContact O-CB 3.33Å; E122-A125 PolarHBondContact O-N 2.77Å; H123-A125 VanDerWaalsContact C-N 3.34Å; H123-A125 PolarHBondContact O-N 3.19Å; A125-K127 VanDerWaalsContact C-N 3.28Å; A125-K127 PolarHBondContact O-N 2.75Å; A125-R128 CarbonylContact O-C 3.54Å; A125-R128 PolarHBondContact O-N 2.87Å; A125-L129 PolarHBondContact O-N 2.9Å |
| 126 | A | 88.3 | Confident | 90.2 | Very high | 43 Ų | 43 | 96.6 Ų | 96.6 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E122 H123 R128 L129 | E122-A126 WeakPolarHBondContact O-CB 3.47Å; E122-A126 PolarHBondContact O-N 2.88Å; H123-A126 PolarHBondContact O-N 2.8Å; A126-R128 PolarHBondContact O-N 3.37Å; A126-L129 HydrophobicContact CB-CD1 4.34Å; A126-L129 WeakPolarHBondContact O-CD1 3.4Å; A126-L129 VanDerWaalsContact O-CG 3.29Å; A126-L129 WeakPolarHBondContact O-CG 3.46Å; A126-L129 PolarHBondContact O-N 3.32Å |
| 127 | K | 86.7 | Confident | 90.1 | Very high | 137 Ų | 137 | 97.3 Ų | 97.3 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -23.6 | 174.5 | -78.8 | -178.4 | 173.6 | 177.4 | 0 | 114 | H123 L124 A125 | H123-K127 VanDerWaalsContact NE2-CE 3.33Å; H123-K127 WeakPolarHBondContact NE2-CE 3.49Å; H123-K127 PolarHBondContact NE2-NZ 2.95Å; H123-K127 WeakPolarHBondContact O-CG 3.38Å; H123-K127 PolarHBondContact O-N 3.4Å; L124-K127 PolarHBondContact O-N 2.9Å; A125-K127 VanDerWaalsContact C-N 3.28Å; A125-K127 PolarHBondContact O-N 2.75Å |
| 128 | R | 88.9 | Confident | 90.2 | Very high | 225 Ų | 225 | 103.8 Ų | 103.8 | 85% | 0.849 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 16.7 | -177.4 | -65.4 | -172.1 | 176.5 | -171.1 | 0.3 | 113.5 | L124 A125 A126 | L124-R128 PolarHBondContact O-N 3.01Å; A125-R128 CarbonylContact O-C 3.54Å; A125-R128 PolarHBondContact O-N 2.87Å; A126-R128 PolarHBondContact O-N 3.37Å |
| 129 | L | 89.8 | Confident | 90.4 | Very high | 56 Ų | 56 | 105 Ų | 105 | 29% | 0.293 | 52% | 0.516 | S | S | . | . | trans | -62.6 | 151.1 | 177 | -71.9 | 171.4 | 0 | 0 | 0 | 112.1 | A125 A126 L133 L137 | A125-L129 PolarHBondContact O-N 2.9Å; A126-L129 HydrophobicContact CB-CD1 4.34Å; A126-L129 WeakPolarHBondContact O-CD1 3.4Å; A126-L129 VanDerWaalsContact O-CG 3.29Å; A126-L129 WeakPolarHBondContact O-CG 3.46Å; A126-L129 PolarHBondContact O-N 3.32Å; L129-L133 HydrophobicContact CB-CB 4.1Å; L129-L133 HydrophobicContact CD1-CB 4.45Å; L129-L133 HydrophobicContact CD2-CB 4.35Å; L129-L133 HydrophobicContact CD2-CD1 3.99Å; L129-L137 HydrophobicContact CD1-CD1 3.08Å | ||
| 130 | S | 92.9 | Very high | 90.7 | Very high | 67 Ų | 67 | 103.3 Ų | 103.3 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | trans | -57 | 153.3 | 172.5 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | R132 L133 N134 | S130-R132 PolarHBondContact O-N 3.12Å; S130-R132 VanDerWaalsContact O-N 3.13Å; S130-L133 PolarHBondContact O-N 3.39Å; S130-N134 WeakPolarHBondContact O-CB 3.45Å; S130-N134 PolarHBondContact O-N 3.34Å | ||
| 131 | N | 92.7 | Very high | 91 | Very high | 142 Ų | 142 | 104.1 Ų | 104.1 | 76% | 0.759 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -50.5 | -43.6 | -179.6 | -70.5 | -17.1 | 0 | 0 | 0 | 112.2 | N134 S135 | N131-N134 PolarHBondContact O-N 2.95Å; N131-S135 WeakPolarHBondContact O-CB 3.46Å; N131-S135 PolarHBondContact O-N 3.29Å; N131-S135 PolarHBondContact O-OG 3.49Å |
| 132 | R | 93 | Very high | 91.4 | Very high | 210 Ų | 210 | 101.9 Ų | 101.9 | 79% | 0.792 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.1 | -50.3 | 178 | -177.4 | -178.8 | 171.9 | -152.7 | -2.2 | 112.1 | S130 S135 S136 | S130-R132 PolarHBondContact O-N 3.12Å; S130-R132 VanDerWaalsContact O-N 3.13Å; R132-S135 PolarHBondContact O-N 2.86Å; R132-S136 PolarHBondContact O-N 3.24Å; R132-S136 VanDerWaalsContact O-N 3.12Å; R132-S136 PolarHBondContact O-OG 3.36Å |
| 133 | L | 92.2 | Very high | 91.6 | Very high | 89 Ų | 89 | 98.5 Ų | 98.5 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | -179.6 | -68.6 | 175.2 | 0 | 0 | 0 | 111.6 | L129 S130 S135 S136 L137 | L129-L133 HydrophobicContact CB-CB 4.1Å; L129-L133 HydrophobicContact CD1-CB 4.45Å; L129-L133 HydrophobicContact CD2-CB 4.35Å; L129-L133 HydrophobicContact CD2-CD1 3.99Å; S130-L133 PolarHBondContact O-N 3.39Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 2.75Å; L133-S136 PolarHBondContact O-N 3.03Å; L133-L137 PolarHBondContact O-N 3.39Å |
| 134 | N | 91.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 97.5 Ų | 97.5 | 24% | 0.241 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.1 | -164.2 | -75.1 | 0 | 0 | 0 | 111.2 | S130 N131 L137 R138 | S130-N134 WeakPolarHBondContact O-CB 3.45Å; S130-N134 PolarHBondContact O-N 3.34Å; N131-N134 PolarHBondContact O-N 2.95Å; N134-L137 PolarHBondContact O-N 3.33Å; N134-R138 WeakPolarHBondContact O-CB 3.36Å; N134-R138 WeakPolarHBondContact O-CG 3.29Å; N134-R138 PolarHBondContact O-N 3.42Å; N134-R138 WeakPolarHBondContact OD1-CD 3.46Å; N134-R138 PolarHBondContact OD1-NE 2.86Å |
| 135 | S | 92.8 | Very high | 92.1 | Very high | 69 Ų | 69 | 98 Ų | 98 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 174.7 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | N131 R132 L133 R138 L139 | N131-S135 WeakPolarHBondContact O-CB 3.46Å; N131-S135 PolarHBondContact O-N 3.29Å; N131-S135 PolarHBondContact O-OG 3.49Å; R132-S135 PolarHBondContact O-N 2.86Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 2.75Å; S135-R138 PolarHBondContact O-N 3.35Å; S135-L139 WeakPolarHBondContact O-CG 3.26Å; S135-L139 PolarHBondContact O-N 2.95Å |
| 136 | S | 92.9 | Very high | 92.3 | Very high | 63 Ų | 63 | 102.6 Ų | 102.6 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 175.5 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | R132 L133 L139 V140 | R132-S136 PolarHBondContact O-N 3.24Å; R132-S136 VanDerWaalsContact O-N 3.12Å; R132-S136 PolarHBondContact O-OG 3.36Å; L133-S136 PolarHBondContact O-N 3.03Å; S136-L139 PolarHBondContact O-N 3.38Å; S136-V140 PolarHBondContact O-N 3.32Å |
| 137 | L | 90.9 | Very high | 92.5 | Very high | 78 Ų | 78 | 102.5 Ų | 102.5 | 41% | 0.408 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.4 | -93.9 | 155.4 | 0 | 0 | 0 | 112.5 | L129 L133 N134 L139 V140 I141 | L129-L137 HydrophobicContact CD1-CD1 3.08Å; L133-L137 PolarHBondContact O-N 3.39Å; N134-L137 PolarHBondContact O-N 3.33Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 3.4Å; L137-V140 PolarHBondContact O-N 2.89Å; L137-I141 WeakPolarHBondContact O-CB 3.38Å; L137-I141 VanDerWaalsContact O-CG1 3.26Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 3.47Å |
| 138 | R | 91.9 | Very high | 92.7 | Very high | 161 Ų | 161 | 102.7 Ų | 102.7 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -38.3 | 177 | -78.3 | 179.5 | 178.8 | -110.3 | 1.6 | 112.5 | N134 S135 I141 N142 | N134-R138 WeakPolarHBondContact O-CB 3.36Å; N134-R138 WeakPolarHBondContact O-CG 3.29Å; N134-R138 PolarHBondContact O-N 3.42Å; N134-R138 WeakPolarHBondContact OD1-CD 3.46Å; N134-R138 PolarHBondContact OD1-NE 2.86Å; S135-R138 PolarHBondContact O-N 3.35Å; R138-I141 PolarHBondContact O-N 2.85Å; R138-N142 VanDerWaalsContact O-CB 3.29Å; R138-N142 WeakPolarHBondContact O-CB 3.48Å; R138-N142 PolarHBondContact O-N 3.2Å; R138-N142 PolarHBondContact O-ND2 3.37Å |
| 139 | L | 95.3 | Very high | 92.9 | Very high | 124 Ų | 124 | 96.5 Ų | 96.5 | 65% | 0.649 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -47 | 175 | -75.5 | 169.2 | 0 | 0 | 0 | 111.4 | S135 S136 L137 N142 A143 | S135-L139 WeakPolarHBondContact O-CG 3.26Å; S135-L139 PolarHBondContact O-N 2.95Å; S136-L139 PolarHBondContact O-N 3.38Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 3.4Å; L139-N142 PolarHBondContact O-N 3.18Å; L139-A143 PolarHBondContact O-N 3.47Å |
| 140 | V | 94 | Very high | 93 | Very high | 85 Ų | 85 | 96.7 Ų | 96.7 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 177.5 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | S136 L137 N142 A143 I144 | S136-V140 PolarHBondContact O-N 3.32Å; L137-V140 PolarHBondContact O-N 2.89Å; V140-N142 VanDerWaalsContact C-N 3.32Å; V140-N142 PolarHBondContact O-N 2.97Å; V140-A143 WeakPolarHBondContact O-CB 3.34Å; V140-A143 PolarHBondContact O-N 2.86Å; V140-I144 HydrophobicContact CG1-CD1 3.82Å; V140-I144 HydrophobicContact CG1-CG1 4.43Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 3.31Å |
| 141 | I | 93 | Very high | 92.9 | Very high | 81 Ų | 81 | 97.6 Ų | 97.6 | 42% | 0.415 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 177.6 | -69.4 | 165.1 | 0 | 0 | 0 | 110.7 | L137 R138 A143 I144 N145 | L137-I141 WeakPolarHBondContact O-CB 3.38Å; L137-I141 VanDerWaalsContact O-CG1 3.26Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 3.47Å; R138-I141 PolarHBondContact O-N 2.85Å; I141-A143 VanDerWaalsContact C-N 3.35Å; I141-A143 PolarHBondContact O-N 3.17Å; I141-I144 PolarHBondContact O-N 3.08Å; I141-N145 WeakPolarHBondContact O-CB 3.49Å; I141-N145 PolarHBondContact O-N 3.01Å; I141-N145 PolarHBondContact O-ND2 3.41Å |
| 142 | N | 95.4 | Very high | 92.8 | Very high | 103 Ų | 103 | 95.6 Ų | 95.6 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 178.5 | -72.7 | -14.1 | 0 | 0 | 0 | 112.3 | R138 L139 V140 K146 | R138-N142 VanDerWaalsContact O-CB 3.29Å; R138-N142 WeakPolarHBondContact O-CB 3.48Å; R138-N142 PolarHBondContact O-N 3.2Å; R138-N142 PolarHBondContact O-ND2 3.37Å; L139-N142 PolarHBondContact O-N 3.18Å; V140-N142 VanDerWaalsContact C-N 3.32Å; V140-N142 PolarHBondContact O-N 2.97Å; N142-K146 WeakPolarHBondContact O-CB 3.34Å; N142-K146 PolarHBondContact O-N 3.23Å |
| 143 | A | 94.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 88.9 Ų | 88.9 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L139 V140 I141 N145 K146 I147 | L139-A143 PolarHBondContact O-N 3.47Å; V140-A143 WeakPolarHBondContact O-CB 3.34Å; V140-A143 PolarHBondContact O-N 2.86Å; I141-A143 VanDerWaalsContact C-N 3.35Å; I141-A143 PolarHBondContact O-N 3.17Å; A143-N145 PolarHBondContact O-N 3.28Å; A143-K146 WeakPolarHBondContact O-CB 3.5Å; A143-K146 PolarHBondContact O-N 3.44Å; A143-I147 WeakPolarHBondContact O-CG1 2.98Å; A143-I147 PolarHBondContact O-N 2.99Å |
| 144 | I | 92.7 | Very high | 92.5 | Very high | 76 Ų | 76 | 87.1 Ų | 87.1 | 39% | 0.39 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 177.2 | -66.3 | 169.4 | 0 | 0 | 0 | 110.7 | V140 I141 K146 I147 K148 | V140-I144 HydrophobicContact CG1-CD1 3.82Å; V140-I144 HydrophobicContact CG1-CG1 4.43Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 3.31Å; I141-I144 PolarHBondContact O-N 3.08Å; I144-K146 VanDerWaalsContact C-N 3.25Å; I144-K146 PolarHBondContact O-N 2.94Å; I144-I147 WeakPolarHBondContact O-CB 3.38Å; I144-I147 PolarHBondContact O-N 3.4Å; I144-I147 VanDerWaalsContact O-N 3.14Å; I144-K148 HydrophobicContact CG2-CD 4.14Å; I144-K148 HydrophobicContact CG2-CG 4.32Å; I144-K148 PolarHBondContact O-N 3.3Å |
| 145 | N | 94.6 | Very high | 92.5 | Very high | 92 Ų | 92 | 92 Ų | 92 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 178.2 | -73.3 | -15.3 | 0 | 0 | 0 | 111.6 | I141 A143 K148 S149 | I141-N145 WeakPolarHBondContact O-CB 3.49Å; I141-N145 PolarHBondContact O-N 3.01Å; I141-N145 PolarHBondContact O-ND2 3.41Å; A143-N145 PolarHBondContact O-N 3.28Å; N145-K148 PolarHBondContact O-N 3.31Å; N145-S149 VanDerWaalsContact O-CB 3.28Å; N145-S149 WeakPolarHBondContact O-CB 3.28Å; N145-S149 PolarHBondContact O-N 3.3Å |
| 146 | K | 93.4 | Very high | 92.4 | Very high | 156 Ų | 156 | 93.6 Ų | 93.6 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 176 | -171.7 | 171 | -178.2 | 176.5 | 0 | 112.1 | N142 A143 I144 S149 | N142-K146 WeakPolarHBondContact O-CB 3.34Å; N142-K146 PolarHBondContact O-N 3.23Å; A143-K146 WeakPolarHBondContact O-CB 3.5Å; A143-K146 PolarHBondContact O-N 3.44Å; I144-K146 VanDerWaalsContact C-N 3.25Å; I144-K146 PolarHBondContact O-N 2.94Å; K146-S149 PolarHBondContact O-OG 2.98Å |
| 147 | I | 92.6 | Very high | 92.3 | Very high | 42 Ų | 42 | 94.9 Ų | 94.9 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61.4 | -53.7 | 173.4 | -66.6 | 161.7 | 0 | 0 | 0 | 109.9 | A143 I144 S149 N150 N153 F157 | A143-I147 WeakPolarHBondContact O-CG1 2.98Å; A143-I147 PolarHBondContact O-N 2.99Å; I144-I147 WeakPolarHBondContact O-CB 3.38Å; I144-I147 PolarHBondContact O-N 3.4Å; I144-I147 VanDerWaalsContact O-N 3.14Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.42Å; I147-N150 PolarHBondContact O-N 3.1Å; I147-N153 HydrophobicContact CG2-CB 4.44Å; I147-N153 WeakPolarHBondContact O-CB 3.42Å; I147-F157 HydrophobicContact CD1-CD2 3.72Å; I147-F157 HydrophobicContact CD1-CE2 3.79Å; I147-F157 HydrophobicContact CD1-CG 4.17Å; I147-F157 HydrophobicContact CD1-CZ 4.31Å; I147-F157 HydrophobicContact CG2-CB 3.73Å; I147-F157 HydrophobicContact CG2-CD2 4.49Å; I147-F157 HydrophobicContact CG2-CG 4Å |
| 148 | K | 91.5 | Very high | 92.1 | Very high | 140 Ų | 140 | 95.5 Ų | 95.5 | 61% | 0.609 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67 | -22.8 | -176.9 | -70.1 | -165.6 | 171 | -164 | 0 | 114.3 | I144 N145 N150 | I144-K148 HydrophobicContact CG2-CD 4.14Å; I144-K148 HydrophobicContact CG2-CG 4.32Å; I144-K148 PolarHBondContact O-N 3.3Å; N145-K148 PolarHBondContact O-N 3.31Å; K148-N150 PolarHBondContact O-N 3.11Å |
| 149 | S | 93.3 | Very high | 91.9 | Very high | 95 Ų | 95 | 94.5 Ų | 94.5 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.6 | 178 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | N145 K146 I147 | N145-S149 VanDerWaalsContact O-CB 3.28Å; N145-S149 WeakPolarHBondContact O-CB 3.28Å; N145-S149 PolarHBondContact O-N 3.3Å; K146-S149 PolarHBondContact O-OG 2.98Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.42Å |
| 150 | N | 92 | Very high | 91.4 | Very high | 61 Ų | 61 | 95.1 Ų | 95.1 | 33% | 0.326 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -125.5 | 119.2 | 177.5 | -173.8 | -28.9 | 0 | 0 | 0 | 110.8 | I147 K148 L152 N153 D154 | I147-N150 PolarHBondContact O-N 3.1Å; K148-N150 PolarHBondContact O-N 3.11Å; N150-L152 PolarHBondContact O-N 3.32Å; N150-L152 VanDerWaalsContact O-N 3.09Å; N150-L152 WeakPolarHBondContact OD1-CB 3.22Å; N150-L152 PolarHBondContact OD1-N 3.47Å; N150-N153 HydrophobicContact CB-CB 4.12Å; N150-N153 PolarHBondContact O-N 3.21Å; N150-D154 PolarHBondContact O-N 2.88Å |
| 151 | P | 89.9 | Confident | 90.4 | Very high | 85 Ų | 85 | 94.8 Ų | 94.8 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.3 | -26.5 | 179.8 | -24.4 | 32.6 | 0 | 0 | 0 | 114.8 | R155 | P151-R155 WeakPolarHBondContact O-CG 3.5Å; P151-R155 PolarHBondContact O-N 3.02Å; P151-R155 PolarHBondContact O-NE 3.5Å |
| 152 | L | 91.7 | Very high | 88.8 | Confident | 101 Ų | 101 | 102.4 Ų | 102.4 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.4 | -44.6 | 174 | -75.6 | 168.4 | 0 | 0 | 0 | 111.3 | N150 D154 R155 L156 | N150-L152 PolarHBondContact O-N 3.32Å; N150-L152 VanDerWaalsContact O-N 3.09Å; N150-L152 WeakPolarHBondContact OD1-CB 3.22Å; N150-L152 PolarHBondContact OD1-N 3.47Å; L152-D154 VanDerWaalsContact C-N 3.35Å; L152-R155 PolarHBondContact O-N 2.86Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.45Å; L152-L156 PolarHBondContact O-N 3.36Å |
| 153 | N | 89.7 | Confident | 88.4 | Confident | 68 Ų | 68 | 102.4 Ų | 102.4 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 179 | -68.9 | -14.3 | 0 | 0 | 0 | 111.2 | I147 N150 L156 F157 | I147-N153 HydrophobicContact CG2-CB 4.44Å; I147-N153 WeakPolarHBondContact O-CB 3.42Å; N150-N153 HydrophobicContact CB-CB 4.12Å; N150-N153 PolarHBondContact O-N 3.21Å; N153-L156 PolarHBondContact O-N 2.87Å; N153-F157 VanDerWaalsContact O-CB 3.22Å; N153-F157 WeakPolarHBondContact O-CB 3.4Å; N153-F157 PolarHBondContact O-N 3.14Å |
| 154 | D | 89.4 | Confident | 88.1 | Confident | 53 Ų | 53 | 105.1 Ų | 105.1 | 28% | 0.283 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.9 | -164.2 | 57.5 | 0 | 0 | 0 | 111.7 | N150 L152 F157 N158 | N150-D154 PolarHBondContact O-N 2.88Å; L152-D154 VanDerWaalsContact C-N 3.35Å; D154-F157 PolarHBondContact O-N 3.38Å; D154-N158 VanDerWaalsContact O-CG 3.3Å; D154-N158 PolarHBondContact O-N 2.74Å; D154-N158 PolarHBondContact O-ND2 3.21Å |
| 155 | R | 91.6 | Very high | 87.8 | Confident | 148 Ų | 148 | 106.7 Ų | 106.7 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.5 | -49.7 | 174.7 | -77.8 | 178.6 | -81.7 | 172.2 | -7.7 | 112.5 | P151 L152 F157 N158 D159 | P151-R155 WeakPolarHBondContact O-CG 3.5Å; P151-R155 PolarHBondContact O-N 3.02Å; P151-R155 PolarHBondContact O-NE 3.5Å; L152-R155 PolarHBondContact O-N 2.86Å; R155-F157 VanDerWaalsContact C-N 3.26Å; R155-F157 PolarHBondContact O-N 2.96Å; R155-N158 PolarHBondContact O-N 3.25Å; R155-D159 PolarHBondContact O-N 3.48Å; R155-D159 VanDerWaalsContact O-N 3.09Å |
| 156 | L | 90.7 | Very high | 87.4 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 177.4 | -73.2 | 170.8 | 0 | 0 | 0 | 111.9 | L152 N153 D159 M160 | L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.45Å; L152-L156 PolarHBondContact O-N 3.36Å; N153-L156 PolarHBondContact O-N 2.87Å; L156-D159 PolarHBondContact O-N 3.27Å; L156-M160 WeakPolarHBondContact O-CE 3.45Å; L156-M160 WeakPolarHBondContact O-CG 3.31Å; L156-M160 PolarHBondContact O-N 2.98Å |
| 157 | F | 89.6 | Confident | 87.1 | Confident | 90 Ų | 90 | 104.5 Ų | 104.5 | 40% | 0.395 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 177.7 | -168.9 | -95.5 | 0 | 0 | 0 | 111.6 | I147 N153 D154 R155 D159 M160 T161 | I147-F157 HydrophobicContact CD1-CD2 3.72Å; I147-F157 HydrophobicContact CD1-CE2 3.79Å; I147-F157 HydrophobicContact CD1-CG 4.17Å; I147-F157 HydrophobicContact CD1-CZ 4.31Å; I147-F157 HydrophobicContact CG2-CB 3.73Å; I147-F157 HydrophobicContact CG2-CD2 4.49Å; I147-F157 HydrophobicContact CG2-CG 4Å; N153-F157 VanDerWaalsContact O-CB 3.22Å; N153-F157 WeakPolarHBondContact O-CB 3.4Å; N153-F157 PolarHBondContact O-N 3.14Å; D154-F157 PolarHBondContact O-N 3.38Å; R155-F157 VanDerWaalsContact C-N 3.26Å; R155-F157 PolarHBondContact O-N 2.96Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.09Å; F157-M160 HydrophobicContact CB-CE 4.42Å; F157-M160 HydrophobicContact CD2-CE 4.12Å; F157-M160 PolarHBondContact O-N 3.42Å; F157-M160 VanDerWaalsContact O-N 3.08Å; F157-T161 HydrophobicContact CE1-CG2 4.23Å; F157-T161 PolarHBondContact O-N 3.31Å; F157-T161 PolarHBondContact O-OG1 2.88Å |
| 158 | N | 88.3 | Confident | 86.7 | Confident | 90 Ų | 90 | 108.7 Ų | 108.7 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.7 | -39.7 | 175.7 | -71.3 | -25.8 | 0 | 0 | 0 | 112.1 | D154 R155 M160 T161 | D154-N158 VanDerWaalsContact O-CG 3.3Å; D154-N158 PolarHBondContact O-N 2.74Å; D154-N158 PolarHBondContact O-ND2 3.21Å; R155-N158 PolarHBondContact O-N 3.25Å; N158-M160 PolarHBondContact O-N 3.09Å; N158-T161 WeakPolarHBondContact CA-OG1 3.4Å; N158-T161 PolarHBondContact O-N 3.05Å; N158-T161 PolarHBondContact O-OG1 2.93Å |
| 159 | D | 87.5 | Confident | 86.4 | Confident | 140 Ų | 140 | 106.4 Ų | 106.4 | 75% | 0.749 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.9 | -22.8 | 176.6 | -73 | -14.4 | 0 | 0 | 0 | 113.4 | R155 L156 F157 | R155-D159 PolarHBondContact O-N 3.48Å; R155-D159 VanDerWaalsContact O-N 3.09Å; L156-D159 PolarHBondContact O-N 3.27Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.09Å |
| 160 | M | 83.4 | Confident | 85.8 | Confident | 137 Ų | 137 | 107.3 Ų | 107.3 | 68% | 0.675 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -87.7 | -16.6 | 178.5 | -70.1 | -175.3 | -68.4 | 0 | 0 | 113.6 | L156 F157 N158 | L156-M160 WeakPolarHBondContact O-CE 3.45Å; L156-M160 WeakPolarHBondContact O-CG 3.31Å; L156-M160 PolarHBondContact O-N 2.98Å; F157-M160 HydrophobicContact CB-CE 4.42Å; F157-M160 HydrophobicContact CD2-CE 4.12Å; F157-M160 PolarHBondContact O-N 3.42Å; F157-M160 VanDerWaalsContact O-N 3.08Å; N158-M160 PolarHBondContact O-N 3.09Å |
| 161 | T | 73.5 | Confident | 85.3 | Confident | 79 Ų | 79 | 111.2 Ų | 111.2 | 49% | 0.485 | 57% | 0.57 | S | S | . | * | trans | -92.2 | 119.1 | 176.2 | 30.6 | 0 | 0 | 0 | 0 | 110.2 | F157 N158 | F157-T161 HydrophobicContact CE1-CG2 4.23Å; F157-T161 PolarHBondContact O-N 3.31Å; F157-T161 PolarHBondContact O-OG1 2.88Å; N158-T161 WeakPolarHBondContact CA-OG1 3.4Å; N158-T161 PolarHBondContact O-N 3.05Å; N158-T161 PolarHBondContact O-OG1 2.93Å | ||
| 162 | I | 58.6 | Low | 84.9 | Confident | 241 Ų | 241 | 113.5 Ų | 113.5 | 100% | 1.236 | 57% | 0.572 | S | S | * | * | trans | -66.4 | 0 | 179.5 | -46.6 | 173.8 | 0 | 0 | 0 | 110.9 |
Retrieved 162 of 162 residues in 326 ms
(Link to these results)