| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 55.6 | Low | 246 Ų | 246 | 115.4 Ų | 115.4 | 100% | 1.212 | 58% | 0.581 | S | S | * | * | 0 | 105.2 | 0 | -167.7 | 164.2 | 162.6 | 0 | 0 | 105.6 | L3 | M1-L3 PolarHBondContact O-N 3.35Š| |||
| 2 | A | 40 | Very low | 56.7 | Low | 69 Ų | 69 | 112.8 Ų | 112.8 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | trans | -85.1 | 110.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y4 | A2-Y4 HydrophobicContact CB-CD2 3.6Å; A2-Y4 HydrophobicContact CB-CE2 3.15Å; A2-Y4 PolarHBondContact O-N 3.19Å | ||
| 3 | L | 43.6 | Very low | 57.8 | Low | 166 Ų | 166 | 109.9 Ų | 109.9 | 87% | 0.869 | 56% | 0.559 | S | S | * | * | trans | -77.5 | 89 | 178.2 | -175 | 82.8 | 0 | 0 | 0 | 108 | M1 | M1-L3 PolarHBondContact O-N 3.35Š| ||
| 4 | Y | 51.2 | Low | 58.6 | Low | 194 Ų | 194 | 105.4 Ų | 105.4 | 76% | 0.761 | 53% | 0.533 | S | S | * | . | trans | -108.7 | 90.4 | 174.8 | -64.2 | -63.5 | 0 | 0 | 0 | 109.5 | A2 | A2-Y4 HydrophobicContact CB-CD2 3.6Å; A2-Y4 HydrophobicContact CB-CE2 3.15Å; A2-Y4 PolarHBondContact O-N 3.19Å | ||
| 5 | D | 52.6 | Low | 59.5 | Low | 119 Ų | 119 | 103.5 Ų | 103.5 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | trans | -94.2 | 43.3 | 176.6 | -167.8 | -97.3 | 0 | 0 | 0 | 111.1 | D7 K10 | D5-D7 PolarHBondContact O-N 3.26Å; D5-K10 IonicContact OD1-NZ 3.26Å; D5-K10 PolarHBondContact OD1-NZ 2.84Å | ||
| 6 | E | 57.6 | Low | 60.2 | Low | 96 Ų | 96 | 99.4 Ų | 99.4 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | trans | -93.7 | 86.1 | 178 | -72.7 | -120.3 | 88.1 | 0 | 0 | 109.5 | L8 | E6-L8 PolarHBondContact O-N 3.08Š| ||
| 7 | D | 64.3 | Low | 60.7 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | trans | -47.8 | 131.4 | 160.2 | -169.2 | -66 | 0 | 0 | 0 | 108.5 | D5 L9 K10 N11 | D5-D7 PolarHBondContact O-N 3.26Å; D7-L9 PolarHBondContact O-N 3.26Å; D7-L9 VanDerWaalsContact O-N 3.07Å; D7-L9 VanDerWaalsContact OD1-CB 3.28Å; D7-L9 WeakPolarHBondContact OD1-CB 3.14Å; D7-L9 PolarHBondContact OD1-N 2.98Å; D7-K10 HydrophobicContact CB-CB 4.34Å; D7-K10 VanDerWaalsContact CB-CE 3.48Å; D7-K10 HydrophobicContact CB-CG 4.29Å; D7-K10 CarbonylContact O-C 3.54Å; D7-K10 WeakPolarHBondContact O-CA 3.17Å; D7-K10 WeakPolarHBondContact O-CB 3.27Å; D7-K10 PolarHBondContact O-N 3.23Å; D7-N11 PolarHBondContact O-N 3.25Å; D7-N11 VanDerWaalsContact O-N 3.12Å | ||
| 8 | L | 62.8 | Low | 61 | Low | 59 Ų | 59 | 96.3 Ų | 96.3 | 31% | 0.309 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.3 | -177.5 | -179.4 | 64 | 0 | 0 | 0 | 112.2 | E6 K10 N11 Y14 F63 I73 | E6-L8 PolarHBondContact O-N 3.08Å; L8-K10 PolarHBondContact O-N 2.87Å; L8-N11 PolarHBondContact O-N 2.89Å; L8-Y14 HydrophobicContact CD1-CD2 4.12Å; L8-Y14 HydrophobicContact CD1-CG 4.26Å; L8-Y14 HydrophobicContact CG-CD2 4.26Å; L8-Y14 HydrophobicContact CG-CG 4.32Å; L8-Y14 WeakPolarHBondContact O-CB 3.39Å; L8-F63 HydrophobicContact CD1-CD1 4.02Å; L8-F63 HydrophobicContact CD1-CD2 4.19Å; L8-F63 HydrophobicContact CD1-CE1 3.63Å; L8-F63 HydrophobicContact CD1-CE2 3.82Å; L8-F63 HydrophobicContact CD1-CG 4.26Å; L8-F63 HydrophobicContact CD1-CZ 3.5Å; L8-F63 VanDerWaalsContact CD1-CZ 3.5Å; L8-I73 HydrophobicContact CD1-CD1 3.38Å; L8-I73 HydrophobicContact CD2-CD1 3.78Å; L8-I73 HydrophobicContact CG-CD1 4.24Å |
| 9 | L | 62.9 | Low | 61.9 | Low | 116 Ų | 116 | 99.8 Ų | 99.8 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.7 | 177 | -60 | 174.4 | 0 | 0 | 0 | 113.1 | D7 Y14 L15 | D7-L9 PolarHBondContact O-N 3.26Å; D7-L9 VanDerWaalsContact O-N 3.07Å; D7-L9 VanDerWaalsContact OD1-CB 3.28Å; D7-L9 WeakPolarHBondContact OD1-CB 3.14Å; D7-L9 PolarHBondContact OD1-N 2.98Å; L9-Y14 HydrophobicContact CD2-CE1 4.21Å; L9-L15 WeakPolarHBondContact O-CD2 3.18Å |
| 10 | K | 70.3 | Confident | 62.1 | Low | 112 Ų | 112 | 104.5 Ų | 104.5 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -15 | 175.2 | -69.1 | -170.7 | -83.4 | 166.4 | 0 | 112.8 | D5 D7 L8 L15 | D5-K10 IonicContact OD1-NZ 3.26Å; D5-K10 PolarHBondContact OD1-NZ 2.84Å; D7-K10 HydrophobicContact CB-CB 4.34Å; D7-K10 VanDerWaalsContact CB-CE 3.48Å; D7-K10 HydrophobicContact CB-CG 4.29Å; D7-K10 CarbonylContact O-C 3.54Å; D7-K10 WeakPolarHBondContact O-CA 3.17Å; D7-K10 WeakPolarHBondContact O-CB 3.27Å; D7-K10 PolarHBondContact O-N 3.23Å; L8-K10 PolarHBondContact O-N 2.87Å; K10-L15 WeakPolarHBondContact O-CD1 3.48Å |
| 11 | N | 67.9 | Low | 62.2 | Low | 8 Ų | 8 | 106 Ų | 106 | 4% | 0.043 | 52% | 0.515 | C | S | . | . | trans | -60.9 | 125.6 | -178.6 | 173.4 | -75.9 | 0 | 0 | 0 | 111.4 | D7 L8 F13 Y14 L15 F63 | D7-N11 PolarHBondContact O-N 3.25Å; D7-N11 VanDerWaalsContact O-N 3.12Å; L8-N11 PolarHBondContact O-N 2.89Å; N11-F13 VanDerWaalsContact C-N 3.26Å; N11-F13 PolarHBondContact O-N 3.34Å; N11-F13 VanDerWaalsContact OD1-CA 3.27Å; N11-F13 WeakPolarHBondContact OD1-CA 3.41Å; N11-F13 WeakPolarHBondContact OD1-CB 3.49Å; N11-F13 PolarHBondContact OD1-N 3.12Å; N11-Y14 PolarHBondContact O-N 2.97Å; N11-Y14 VanDerWaalsContact O-N 3.17Å; N11-Y14 PolarHBondContact OD1-N 2.81Å; N11-L15 WeakPolarHBondContact O-CG 3.4Å; N11-L15 PolarHBondContact O-N 3.17Å; N11-F63 HydrophobicContact CB-CE1 3.83Å; N11-F63 HydrophobicContact CB-CZ 4.33Å; N11-F63 WeakPolarHBondContact ND2-CE1 3.34Å | ||
| 12 | P | 68.9 | Low | 63.5 | Low | 84 Ų | 84 | 98 Ų | 98 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -32.4 | -176.8 | -23.5 | 31.9 | 0 | 0 | 0 | 114 | A16 | P12-A16 WeakPolarHBondContact O-CB 3.5Å; P12-A16 PolarHBondContact O-N 2.95Å |
| 13 | F | 71.4 | Confident | 64.4 | Low | 76 Ų | 76 | 100.2 Ų | 100.2 | 33% | 0.333 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.9 | -47.1 | 176.3 | 172.6 | -87.7 | 0 | 0 | 0 | 110.8 | N11 L15 A16 L17 F59 | N11-F13 VanDerWaalsContact C-N 3.26Å; N11-F13 PolarHBondContact O-N 3.34Å; N11-F13 VanDerWaalsContact OD1-CA 3.27Å; N11-F13 WeakPolarHBondContact OD1-CA 3.41Å; N11-F13 WeakPolarHBondContact OD1-CB 3.49Å; N11-F13 PolarHBondContact OD1-N 3.12Å; F13-L15 PolarHBondContact O-N 3.37Å; F13-A16 PolarHBondContact O-N 2.78Å; F13-L17 HydrophobicContact CE1-CB 4.39Å; F13-L17 HydrophobicContact CE1-CD2 4.28Å; F13-L17 HydrophobicContact CZ-CB 4.46Å; F13-L17 HydrophobicContact CZ-CD1 4.31Å; F13-L17 WeakPolarHBondContact O-CB 3.09Å; F13-L17 PolarHBondContact O-N 2.89Å; F13-F59 HydrophobicContact CD1-CE2 4.32Å; F13-F59 HydrophobicContact CD1-CZ 4.18Å; F13-F59 HydrophobicContact CD2-CZ 4.36Å; F13-F59 HydrophobicContact CE1-CE1 4.3Å; F13-F59 AromaticContact CE1-CE2 3.85Å; F13-F59 HydrophobicContact CE1-CE2 3.85Å; F13-F59 AromaticContact CE1-CZ 3.32Å; F13-F59 HydrophobicContact CE1-CZ 3.32Å; F13-F59 AromaticContact CE2-CE1 3.77Å; F13-F59 HydrophobicContact CE2-CE1 3.77Å; F13-F59 HydrophobicContact CE2-CE2 4.28Å; F13-F59 AromaticContact CE2-CZ 3.53Å; F13-F59 HydrophobicContact CE2-CZ 3.53Å; F13-F59 AromaticContact CZ-CE1 3.53Å; F13-F59 HydrophobicContact CZ-CE1 3.53Å; F13-F59 AromaticContact CZ-CE2 3.87Å; F13-F59 HydrophobicContact CZ-CE2 3.87Å; F13-F59 AromaticContact CZ-CZ 2.97Å; F13-F59 HydrophobicContact CZ-CZ 2.97Å |
| 14 | Y | 67.8 | Low | 65 | Low | 47 Ų | 47 | 95.8 Ų | 95.8 | 18% | 0.184 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 177 | -170 | -97.9 | 0 | 0 | 0 | 111.7 | L8 L9 N11 L17 Q18 | L8-Y14 HydrophobicContact CD1-CD2 4.12Å; L8-Y14 HydrophobicContact CD1-CG 4.26Å; L8-Y14 HydrophobicContact CG-CD2 4.26Å; L8-Y14 HydrophobicContact CG-CG 4.32Å; L8-Y14 WeakPolarHBondContact O-CB 3.39Å; L9-Y14 HydrophobicContact CD2-CE1 4.21Å; N11-Y14 PolarHBondContact O-N 2.97Å; N11-Y14 VanDerWaalsContact O-N 3.17Å; N11-Y14 PolarHBondContact OD1-N 2.81Å; Y14-L17 PolarHBondContact O-N 2.9Å; Y14-Q18 WeakPolarHBondContact O-CB 3.43Å; Y14-Q18 PolarHBondContact O-N 2.77Å |
| 15 | L | 72.2 | Confident | 65.2 | Low | 76 Ų | 76 | 87.7 Ų | 87.7 | 40% | 0.398 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 175.1 | -70.3 | 173.4 | 0 | 0 | 0 | 112.4 | L9 K10 N11 F13 Q18 K19 | L9-L15 WeakPolarHBondContact O-CD2 3.18Å; K10-L15 WeakPolarHBondContact O-CD1 3.48Å; N11-L15 WeakPolarHBondContact O-CG 3.4Å; N11-L15 PolarHBondContact O-N 3.17Å; F13-L15 PolarHBondContact O-N 3.37Å; L15-Q18 PolarHBondContact O-N 3.07Å; L15-K19 VanDerWaalsContact O-CB 3.29Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 PolarHBondContact O-N 3.27Å |
| 16 | A | 71.4 | Confident | 65 | Low | 39 Ų | 39 | 86.7 Ų | 86.7 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P12 F13 Q18 K19 W20 | P12-A16 WeakPolarHBondContact O-CB 3.5Å; P12-A16 PolarHBondContact O-N 2.95Å; F13-A16 PolarHBondContact O-N 2.78Å; A16-Q18 VanDerWaalsContact C-N 3.35Å; A16-Q18 PolarHBondContact O-N 2.76Å; A16-K19 PolarHBondContact O-N 3.38Å; A16-W20 WeakPolarHBondContact O-CB 3.45Å; A16-W20 PolarHBondContact O-N 3.48Å |
| 17 | L | 69.1 | Low | 64.6 | Low | 44 Ų | 44 | 87.4 Ų | 87.4 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 175.9 | -171 | 73.6 | 0 | 0 | 0 | 110.8 | F13 Y14 K19 W20 R21 | F13-L17 HydrophobicContact CE1-CB 4.39Å; F13-L17 HydrophobicContact CE1-CD2 4.28Å; F13-L17 HydrophobicContact CZ-CB 4.46Å; F13-L17 HydrophobicContact CZ-CD1 4.31Å; F13-L17 WeakPolarHBondContact O-CB 3.09Å; F13-L17 PolarHBondContact O-N 2.89Å; Y14-L17 PolarHBondContact O-N 2.9Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.28Å; L17-W20 PolarHBondContact O-N 2.89Å; L17-R21 CarbonylContact O-C 3.56Å; L17-R21 WeakPolarHBondContact O-CA 3.33Å; L17-R21 PolarHBondContact O-N 2.83Å |
| 18 | Q | 66.2 | Low | 63.7 | Low | 99 Ų | 99 | 88.5 Ų | 88.5 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.1 | -167.9 | 179.1 | 15.8 | 0 | 0 | 112.3 | Y14 L15 A16 C25 | Y14-Q18 WeakPolarHBondContact O-CB 3.43Å; Y14-Q18 PolarHBondContact O-N 2.77Å; L15-Q18 PolarHBondContact O-N 3.07Å; A16-Q18 VanDerWaalsContact C-N 3.35Å; A16-Q18 PolarHBondContact O-N 2.76Å; Q18-C25 WeakPolarHBondContact CA-SG 3.37Å; Q18-C25 VanDerWaalsContact CB-SG 3.53Å; Q18-C25 HydrophobicContact CG-CB 4.39Å |
| 19 | K | 77.1 | Confident | 63 | Low | 162 Ų | 162 | 89 Ų | 89 | 70% | 0.704 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.7 | -45.2 | 178.8 | -176.2 | 178.7 | 179.8 | 179.6 | 0 | 112.8 | L15 A16 L17 | L15-K19 VanDerWaalsContact O-CB 3.29Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 PolarHBondContact O-N 3.27Å; A16-K19 PolarHBondContact O-N 3.38Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.28Å |
| 20 | W | 66.4 | Low | 62.4 | Low | 194 Ų | 194 | 91.7 Ų | 91.7 | 74% | 0.735 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -93.2 | -25.9 | -169.4 | -70.4 | 109.2 | 0 | 0 | 0 | 113.7 | A16 L17 | A16-W20 WeakPolarHBondContact O-CB 3.45Å; A16-W20 PolarHBondContact O-N 3.48Å; L17-W20 PolarHBondContact O-N 2.89Å |
| 21 | R | 64.4 | Low | 61.5 | Low | 137 Ų | 137 | 88.7 Ų | 88.7 | 52% | 0.517 | 46% | 0.456 | S | S | . | . | trans | -139.8 | 67.1 | -178.3 | -63.4 | -62.8 | -63 | -80.1 | -1.8 | 110.2 | L17 D23 L24 C25 | L17-R21 CarbonylContact O-C 3.56Å; L17-R21 WeakPolarHBondContact O-CA 3.33Å; L17-R21 PolarHBondContact O-N 2.83Å; R21-D23 PolarHBondContact O-N 3.25Å; R21-D23 VanDerWaalsContact O-N 3.15Å; R21-L24 HydrophobicContact CB-CB 4.02Å; R21-L24 HydrophobicContact CB-CD1 4.01Å; R21-L24 HydrophobicContact CG-CD1 4.36Å; R21-L24 VanDerWaalsContact O-CB 3.31Å; R21-L24 WeakPolarHBondContact O-CB 3.38Å; R21-L24 PolarHBondContact O-N 3.3Å; R21-C25 PolarHBondContact O-N 2.8Å | ||
| 22 | P | 64.8 | Low | 60.7 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -31.1 | -179.8 | 23.9 | -34.1 | 0 | 0 | 0 | 112.8 | L24 C25 S26 | P22-L24 PolarHBondContact O-N 3.27Å; P22-C25 PolarHBondContact O-N 2.79Å; P22-S26 PolarHBondContact O-N 3.49Å; P22-S26 PolarHBondContact O-OG 2.84Å |
| 23 | D | 60.3 | Low | 60 | Low | 115 Ų | 115 | 96.8 Ų | 96.8 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -26.5 | 173.7 | -54.4 | -94.7 | 0 | 0 | 0 | 114 | R21 S26 | R21-D23 PolarHBondContact O-N 3.25Å; R21-D23 VanDerWaalsContact O-N 3.15Å; D23-S26 PolarHBondContact O-OG 3.48Å |
| 24 | L | 54.5 | Low | 59.5 | Low | 74 Ų | 74 | 95.5 Ų | 95.5 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -85.2 | -35.6 | 178.4 | -111.8 | 142.9 | 0 | 0 | 0 | 111.4 | R21 P22 S26 K27 | R21-L24 HydrophobicContact CB-CB 4.02Å; R21-L24 HydrophobicContact CB-CD1 4.01Å; R21-L24 HydrophobicContact CG-CD1 4.36Å; R21-L24 VanDerWaalsContact O-CB 3.31Å; R21-L24 WeakPolarHBondContact O-CB 3.38Å; R21-L24 PolarHBondContact O-N 3.3Å; P22-L24 PolarHBondContact O-N 3.27Å; L24-S26 VanDerWaalsContact C-N 3.32Å; L24-S26 PolarHBondContact O-N 2.95Å; L24-K27 CarbonylContact O-C 3.33Å; L24-K27 WeakPolarHBondContact O-CA 3.34Å; L24-K27 PolarHBondContact O-N 3.48Å |
| 25 | C | 56 | Low | 59.2 | Low | 23 Ų | 23 | 96.3 Ų | 96.3 | 16% | 0.155 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.5 | -32.1 | 175.1 | -87.4 | 0 | 0 | 0 | 0 | 113.2 | Q18 R21 P22 K27 | Q18-C25 WeakPolarHBondContact CA-SG 3.37Å; Q18-C25 VanDerWaalsContact CB-SG 3.53Å; Q18-C25 HydrophobicContact CG-CB 4.39Å; R21-C25 PolarHBondContact O-N 2.8Å; P22-C25 PolarHBondContact O-N 2.79Å; C25-K27 PolarHBondContact O-N 2.88Å |
| 26 | S | 49.6 | Very low | 59.3 | Low | 98 Ų | 98 | 95.3 Ų | 95.3 | 69% | 0.685 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -11 | 170.9 | 51.7 | 0 | 0 | 0 | 0 | 114 | P22 D23 L24 | P22-S26 PolarHBondContact O-N 3.49Å; P22-S26 PolarHBondContact O-OG 2.84Å; D23-S26 PolarHBondContact O-OG 3.48Å; L24-S26 VanDerWaalsContact C-N 3.32Å; L24-S26 PolarHBondContact O-N 2.95Å |
| 27 | K | 47.7 | Very low | 59.5 | Low | 111 Ų | 111 | 97.2 Ų | 97.2 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 45 | -178.9 | -81.8 | -177.4 | 165.3 | -166.2 | 0 | 111.4 | L24 C25 A29 | L24-K27 CarbonylContact O-C 3.33Å; L24-K27 WeakPolarHBondContact O-CA 3.34Å; L24-K27 PolarHBondContact O-N 3.48Å; C25-K27 PolarHBondContact O-N 2.88Å; K27-A29 PolarHBondContact O-N 3.37Å |
| 28 | V | 46.7 | Very low | 60.1 | Low | 108 Ų | 108 | 99.6 Ų | 99.6 | 66% | 0.655 | 54% | 0.538 | S | S | * | . | trans | -68.2 | 94.8 | 158.4 | 179.6 | 0 | 0 | 0 | 0 | 106.1 | Q30 | V28-Q30 PolarHBondContact O-N 2.97Š| ||
| 29 | A | 48.5 | Very low | 60.6 | Low | 69 Ų | 69 | 100.1 Ų | 100.1 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | trans | -68.8 | 99.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | K27 I31 | K27-A29 PolarHBondContact O-N 3.37Å; A29-I31 HydrophobicContact CB-CG1 4.39Å; A29-I31 PolarHBondContact O-N 3.46Å | ||
| 30 | Q | 48.3 | Very low | 61 | Low | 173 Ų | 173 | 95.8 Ų | 95.8 | 81% | 0.808 | 54% | 0.542 | S | S | * | . | trans | -80.2 | 100.5 | 162.5 | -166.1 | 172.7 | 76.8 | 0 | 0 | 106.9 | V28 H32 | V28-Q30 PolarHBondContact O-N 2.97Å; Q30-H32 PolarHBondContact O-N 2.92Å | ||
| 31 | I | 53.2 | Low | 61.7 | Low | 48 Ų | 48 | 91.7 Ų | 91.7 | 25% | 0.246 | 53% | 0.534 | C | S | . | . | trans | -77.4 | 118.5 | -178 | -68.8 | -176.4 | 0 | 0 | 0 | 108.9 | A29 G33 I34 V36 F49 L80 | A29-I31 HydrophobicContact CB-CG1 4.39Å; A29-I31 PolarHBondContact O-N 3.46Å; I31-G33 VanDerWaalsContact C-N 3.3Å; I31-G33 PolarHBondContact O-N 2.84Å; I31-I34 HydrophobicContact CG2-CB 3.43Å; I31-I34 VanDerWaalsContact CG2-CB 3.43Å; I31-I34 HydrophobicContact CG2-CD1 3.83Å; I31-I34 HydrophobicContact CG2-CG1 3.61Å; I31-V36 HydrophobicContact CD1-CG2 3.9Å; I31-F49 HydrophobicContact CD1-CZ 4.16Å; I31-F49 HydrophobicContact CG2-CZ 4.36Å; I31-L80 HydrophobicContact CD1-CD1 3.58Å | ||
| 32 | H | 50.3 | Low | 62.5 | Low | 176 Ų | 176 | 89.6 Ų | 89.6 | 82% | 0.815 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -61.8 | 74 | -177.6 | -73.4 | -95.5 | 0 | 0 | 0 | 113.4 | Q30 I34 | Q30-H32 PolarHBondContact O-N 2.92Å; H32-I34 PolarHBondContact O-N 3.44Å |
| 33 | G | 53.7 | Low | 63.4 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 89% | 0.887 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 67.6 | 16 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | I31 | I31-G33 VanDerWaalsContact C-N 3.3Å; I31-G33 PolarHBondContact O-N 2.84Å |
| 34 | I | 62.2 | Low | 64.3 | Low | 50 Ų | 50 | 84.5 Ų | 84.5 | 26% | 0.256 | 49% | 0.491 | S | S | . | . | trans | -89 | 133.7 | -180 | -40.5 | 176.9 | 0 | 0 | 0 | 109.7 | I31 H32 V36 F49 | I31-I34 HydrophobicContact CG2-CB 3.43Å; I31-I34 VanDerWaalsContact CG2-CB 3.43Å; I31-I34 HydrophobicContact CG2-CD1 3.83Å; I31-I34 HydrophobicContact CG2-CG1 3.61Å; H32-I34 PolarHBondContact O-N 3.44Å; I34-V36 PolarHBondContact O-N 2.82Å; I34-F49 HydrophobicContact CB-CE2 3.86Å; I34-F49 HydrophobicContact CD1-CD2 4.3Å; I34-F49 HydrophobicContact CD1-CE1 4.35Å; I34-F49 HydrophobicContact CD1-CE2 3.71Å; I34-F49 HydrophobicContact CD1-CZ 3.73Å; I34-F49 HydrophobicContact CG1-CE2 4.38Å; I34-F49 HydrophobicContact CG2-CD2 3.58Å; I34-F49 HydrophobicContact CG2-CE2 3.36Å; I34-F49 HydrophobicContact CG2-CZ 4.41Å | ||
| 35 | A | 61.4 | Low | 65.3 | Low | 63 Ų | 63 | 81.2 Ų | 81.2 | 52% | 0.521 | 47% | 0.474 | S | S | . | . | trans | -71.5 | 113.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G46 | A35-G46 WeakPolarHBondContact O-CA 3.29Å; A35-G46 PolarHBondContact O-N 3.43Å; A35-G46 VanDerWaalsContact O-N 3.07Å | ||
| 36 | V | 73.4 | Confident | 65.7 | Low | 56 Ų | 56 | 81 Ų | 81 | 34% | 0.339 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.3 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 108 | I31 I34 I43 L45 | I31-V36 HydrophobicContact CD1-CG2 3.9Å; I34-V36 PolarHBondContact O-N 2.82Å; V36-I43 HydrophobicContact CG1-CG2 3.22Å; V36-L45 HydrophobicContact CG1-CD2 4.47Å; V36-L45 HydrophobicContact CG2-CD2 4.18Å |
| 37 | V | 76.4 | Confident | 66.1 | Low | 79 Ų | 79 | 81.1 Ų | 81.1 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.1 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 109 | K44 | V37-K44 PolarHBondContact N-O 2.77Å; V37-K44 PolarHBondContact O-N 2.94Å |
| 38 | I | 80.3 | Confident | 66.7 | Low | 94 Ų | 94 | 79 Ų | 79 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.1 | 171.7 | -58.3 | 168.2 | 0 | 0 | 0 | 107.4 | I57 L74 | I38-I57 HydrophobicContact CG2-CD1 3.88Å; I38-L74 HydrophobicContact CD1-CD1 3.58Å; I38-L74 HydrophobicContact CG1-CD1 4.27Å |
| 39 | E | 78.4 | Confident | 67.4 | Low | 110 Ų | 110 | 75.8 Ų | 75.8 | 51% | 0.514 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 101.2 | 175.8 | -168.9 | -171.9 | 93.7 | 0 | 0 | 108.9 | N41 R42 K44 | E39-N41 PolarHBondContact O-N 2.8Å; E39-R42 PolarHBondContact N-O 3.24Å; E39-R42 PolarHBondContact O-N 2.79Å; E39-K44 HydrophobicContact CB-CD 4.29Å; E39-K44 WeakPolarHBondContact OE1-CE 3.47Å; E39-K44 IonicContact OE1-NZ 2.62Å; E39-K44 PolarHBondContact OE1-NZ 3.15Å; E39-K44 WeakPolarHBondContact OE2-CE 3.41Å; E39-K44 IonicContact OE2-NZ 2.7Å; E39-K44 PolarHBondContact OE2-NZ 3.42Å |
| 40 | G | 83.6 | Confident | 67.9 | Low | 71 Ų | 71 | 78.2 Ų | 78.2 | 73% | 0.732 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -126.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R42 | G40-R42 VanDerWaalsContact C-N 3.3Å; G40-R42 PolarHBondContact O-N 3.26Å |
| 41 | N | 82.8 | Confident | 68.5 | Low | 108 Ų | 108 | 72.5 Ų | 72.5 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 23.3 | 178.7 | 74.1 | -15.4 | 0 | 0 | 0 | 113.4 | E39 I57 | E39-N41 PolarHBondContact O-N 2.8Å; N41-I57 PolarHBondContact O-N 3.26Å |
| 42 | R | 80.9 | Confident | 68.9 | Low | 92 Ų | 92 | 77.6 Ų | 77.6 | 35% | 0.347 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.9 | -175.8 | -49.9 | -175.5 | 66.8 | 83.9 | 3.3 | 110.8 | E39 G40 S54 V55 | E39-R42 PolarHBondContact N-O 3.24Å; E39-R42 PolarHBondContact O-N 2.79Å; G40-R42 VanDerWaalsContact C-N 3.3Å; G40-R42 PolarHBondContact O-N 3.26Å; R42-S54 PolarHBondContact NE-OG 2.7Å; R42-S54 PolarHBondContact NH2-O 2.62Å; R42-S54 PolarHBondContact NH2-OG 2.9Å; R42-V55 CarbonylContact C-O 3.56Å; R42-V55 WeakPolarHBondContact CA-O 3.42Å |
| 43 | I | 84.1 | Confident | 70 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.051 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.3 | 166.2 | -61.8 | -161.4 | 0 | 0 | 0 | 108.5 | V36 L45 S54 V55 I57 L74 I76 L80 | V36-I43 HydrophobicContact CG1-CG2 3.22Å; I43-L45 HydrophobicContact CG2-CD2 4.35Å; I43-S54 CarbonylContact O-C 3.46Å; I43-S54 WeakPolarHBondContact O-CA 3.38Å; I43-V55 PolarHBondContact N-O 3.21Å; I43-V55 PolarHBondContact O-N 3.44Å; I43-I57 HydrophobicContact CD1-CG1 4.39Å; I43-I57 HydrophobicContact CG1-CD1 3.91Å; I43-I57 HydrophobicContact CG1-CG1 3.73Å; I43-L74 HydrophobicContact CD1-CD1 3.94Å; I43-I76 HydrophobicContact CD1-CG2 3.46Å; I43-I76 VanDerWaalsContact CD1-CG2 3.46Å; I43-I76 HydrophobicContact CG1-CG2 3.99Å; I43-L80 HydrophobicContact CB-CD2 4.49Å; I43-L80 HydrophobicContact CG2-CD2 3.94Å |
| 44 | K | 77.6 | Confident | 71.2 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 33% | 0.326 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129 | 168.7 | -68.1 | -174.4 | -179.8 | 178.5 | 0 | 109.4 | V37 E39 | V37-K44 PolarHBondContact N-O 2.77Å; V37-K44 PolarHBondContact O-N 2.94Å; E39-K44 HydrophobicContact CB-CD 4.29Å; E39-K44 WeakPolarHBondContact OE1-CE 3.47Å; E39-K44 IonicContact OE1-NZ 2.62Å; E39-K44 PolarHBondContact OE1-NZ 3.15Å; E39-K44 WeakPolarHBondContact OE2-CE 3.41Å; E39-K44 IonicContact OE2-NZ 2.7Å; E39-K44 PolarHBondContact OE2-NZ 3.42Å |
| 45 | L | 75.6 | Confident | 72.3 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.8 | 174.6 | -62.9 | -177.4 | 0 | 0 | 0 | 110.1 | V36 I43 F49 L53 L80 | V36-L45 HydrophobicContact CG1-CD2 4.47Å; V36-L45 HydrophobicContact CG2-CD2 4.18Å; I43-L45 HydrophobicContact CG2-CD2 4.35Å; L45-F49 HydrophobicContact CB-CB 4.2Å; L45-F49 HydrophobicContact CB-CD2 3.59Å; L45-F49 HydrophobicContact CB-CE2 4.1Å; L45-F49 HydrophobicContact CB-CG 3.91Å; L45-F49 HydrophobicContact CD1-CB 4.37Å; L45-F49 HydrophobicContact CD1-CD1 3.64Å; L45-F49 HydrophobicContact CD1-CD2 3.94Å; L45-F49 HydrophobicContact CD1-CE1 3.81Å; L45-F49 HydrophobicContact CD1-CE2 4.08Å; L45-F49 HydrophobicContact CD1-CG 3.71Å; L45-F49 HydrophobicContact CD1-CZ 4.02Å; L45-F49 HydrophobicContact CD2-CD2 3.99Å; L45-F49 HydrophobicContact CD2-CE2 3.57Å; L45-F49 HydrophobicContact CD2-CZ 3.88Å; L45-F49 HydrophobicContact CG-CD2 4.04Å; L45-F49 HydrophobicContact CG-CE2 4.12Å; L45-F49 HydrophobicContact CG-CG 4.27Å; L45-F49 HydrophobicContact CG-CZ 4.45Å; L45-L53 HydrophobicContact CD1-CB 3.85Å; L45-L53 HydrophobicContact CD1-CD1 4.26Å; L45-L53 HydrophobicContact CG-CB 4.4Å; L45-L53 PolarHBondContact N-O 2.99Å; L45-L53 VanDerWaalsContact N-O 3.13Å; L45-L80 HydrophobicContact CD1-CB 3.81Å; L45-L80 HydrophobicContact CD1-CD2 4.04Å; L45-L80 HydrophobicContact CD1-CG 4.47Å; L45-L80 VanDerWaalsContact CD1-O 3.23Å; L45-L80 WeakPolarHBondContact CD1-O 3.48Å; L45-L80 HydrophobicContact CD2-CB 4.11Å; L45-L80 HydrophobicContact CD2-CD1 4.05Å; L45-L80 HydrophobicContact CD2-CD2 3.69Å; L45-L80 HydrophobicContact CD2-CG 4.13Å; L45-L80 HydrophobicContact CG-CB 4.49Å; L45-L80 HydrophobicContact CG-CD2 3.99Å |
| 46 | G | 65.1 | Low | 73.2 | Confident | 19 Ų | 19 | 65 Ų | 65 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | trans | -85.1 | -167.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A35 G48 | A35-G46 WeakPolarHBondContact O-CA 3.29Å; A35-G46 PolarHBondContact O-N 3.43Å; A35-G46 VanDerWaalsContact O-N 3.07Å; G46-G48 PolarHBondContact O-N 2.9Å | ||
| 47 | A | 58.3 | Low | 73.8 | Confident | 101 Ų | 101 | 63.6 Ų | 63.6 | 84% | 0.835 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 125.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 48 | G | 59 | Low | 74.1 | Confident | 66 Ų | 66 | 65 Ų | 65 | 68% | 0.68 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.3 | -20.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | G46 | G46-G48 PolarHBondContact O-N 2.9Š|
| 49 | F | 62.3 | Low | 74.2 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 18% | 0.18 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -91.9 | 138.8 | 167.2 | -73.7 | -89.3 | 0 | 0 | 0 | 110.8 | I31 I34 L45 C51 E81 | I31-F49 HydrophobicContact CD1-CZ 4.16Å; I31-F49 HydrophobicContact CG2-CZ 4.36Å; I34-F49 HydrophobicContact CB-CE2 3.86Å; I34-F49 HydrophobicContact CD1-CD2 4.3Å; I34-F49 HydrophobicContact CD1-CE1 4.35Å; I34-F49 HydrophobicContact CD1-CE2 3.71Å; I34-F49 HydrophobicContact CD1-CZ 3.73Å; I34-F49 HydrophobicContact CG1-CE2 4.38Å; I34-F49 HydrophobicContact CG2-CD2 3.58Å; I34-F49 HydrophobicContact CG2-CE2 3.36Å; I34-F49 HydrophobicContact CG2-CZ 4.41Å; L45-F49 HydrophobicContact CB-CB 4.2Å; L45-F49 HydrophobicContact CB-CD2 3.59Å; L45-F49 HydrophobicContact CB-CE2 4.1Å; L45-F49 HydrophobicContact CB-CG 3.91Å; L45-F49 HydrophobicContact CD1-CB 4.37Å; L45-F49 HydrophobicContact CD1-CD1 3.64Å; L45-F49 HydrophobicContact CD1-CD2 3.94Å; L45-F49 HydrophobicContact CD1-CE1 3.81Å; L45-F49 HydrophobicContact CD1-CE2 4.08Å; L45-F49 HydrophobicContact CD1-CG 3.71Å; L45-F49 HydrophobicContact CD1-CZ 4.02Å; L45-F49 HydrophobicContact CD2-CD2 3.99Å; L45-F49 HydrophobicContact CD2-CE2 3.57Å; L45-F49 HydrophobicContact CD2-CZ 3.88Å; L45-F49 HydrophobicContact CG-CD2 4.04Å; L45-F49 HydrophobicContact CG-CE2 4.12Å; L45-F49 HydrophobicContact CG-CG 4.27Å; L45-F49 HydrophobicContact CG-CZ 4.45Å; F49-C51 WeakPolarHBondContact CB-O 3.45Å; F49-C51 PolarHBondContact O-N 3.47Å; F49-C51 VanDerWaalsContact O-N 3.08Å; F49-E81 HydrophobicContact CE1-CG 3.99Å |
| 50 | A | 58.6 | Low | 74.4 | Confident | 120 Ų | 120 | 64.1 Ų | 64.1 | 99% | 0.992 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -64.3 | -9.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 51 | C | 60.1 | Low | 74.2 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -141 | 130.4 | -178 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | F49 L53 | F49-C51 WeakPolarHBondContact CB-O 3.45Å; F49-C51 PolarHBondContact O-N 3.47Å; F49-C51 VanDerWaalsContact O-N 3.08Å; C51-L53 VanDerWaalsContact C-N 3.32Å; C51-L53 HydrophobicContact CB-CD1 4.49Å; C51-L53 HydrophobicContact CB-CG 4.12Å; C51-L53 PolarHBondContact O-N 2.86Å |
| 52 | L | 63.5 | Low | 74 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 81% | 0.806 | 37% | 0.367 | S | S | * | . | trans | -73 | 86.6 | 168.9 | -67.7 | 170.9 | 0 | 0 | 0 | 109 | ||||
| 53 | L | 72.1 | Confident | 73.9 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 19% | 0.194 | 36% | 0.355 | C | S | . | . | trans | -92 | 133 | 176 | -66.8 | 169.7 | 0 | 0 | 0 | 110.2 | L45 C51 V55 L80 | L45-L53 HydrophobicContact CD1-CB 3.85Å; L45-L53 HydrophobicContact CD1-CD1 4.26Å; L45-L53 HydrophobicContact CG-CB 4.4Å; L45-L53 PolarHBondContact N-O 2.99Å; L45-L53 VanDerWaalsContact N-O 3.13Å; C51-L53 VanDerWaalsContact C-N 3.32Å; C51-L53 HydrophobicContact CB-CD1 4.49Å; C51-L53 HydrophobicContact CB-CG 4.12Å; C51-L53 PolarHBondContact O-N 2.86Å; L53-V55 HydrophobicContact CB-CG2 4.43Å; L53-L80 WeakPolarHBondContact CD1-O 3.36Å | ||
| 54 | S | 79 | Confident | 73.5 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 110.4 | 169.8 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | R42 I43 | R42-S54 PolarHBondContact NE-OG 2.7Å; R42-S54 PolarHBondContact NH2-O 2.62Å; R42-S54 PolarHBondContact NH2-OG 2.9Å; I43-S54 CarbonylContact O-C 3.46Å; I43-S54 WeakPolarHBondContact O-CA 3.38Å |
| 55 | V | 84.8 | Confident | 73.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.9 | -173.5 | -168 | 0 | 0 | 0 | 0 | 110.3 | R42 I43 L53 I76 A77 H78 L80 | R42-V55 CarbonylContact C-O 3.56Å; R42-V55 WeakPolarHBondContact CA-O 3.42Å; I43-V55 PolarHBondContact N-O 3.21Å; I43-V55 PolarHBondContact O-N 3.44Å; L53-V55 HydrophobicContact CB-CG2 4.43Å; V55-I76 HydrophobicContact CG1-CB 3.76Å; V55-I76 HydrophobicContact CG1-CD1 4.36Å; V55-I76 HydrophobicContact CG1-CG1 4.39Å; V55-A77 HydrophobicContact CG1-CB 4.44Å; V55-H78 WeakPolarHBondContact CG1-O 3.46Å; V55-H78 WeakPolarHBondContact CG2-CE1 3.23Å; V55-L80 HydrophobicContact CB-CD2 4.08Å; V55-L80 HydrophobicContact CG2-CD2 3.39Å |
| 56 | P | 81.9 | Confident | 73.4 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 23% | 0.227 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 135.7 | 173.5 | -16.4 | 26.1 | 0 | 0 | 0 | 112.1 | I76 A77 | P56-I76 WeakPolarHBondContact O-CA 3.21Å; P56-A77 HydrophobicContact CB-CB 4.12Å; P56-A77 HydrophobicContact CG-CB 4.03Å; P56-A77 PolarHBondContact O-N 3.04Å |
| 57 | I | 84.7 | Confident | 74.3 | Confident | 27 Ų | 27 | 80.1 Ų | 80.1 | 14% | 0.138 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.3 | 165.5 | -59.8 | 169.3 | 0 | 0 | 0 | 107 | I38 N41 I43 F59 L74 C75 I76 | I38-I57 HydrophobicContact CG2-CD1 3.88Å; N41-I57 PolarHBondContact O-N 3.26Å; I43-I57 HydrophobicContact CD1-CG1 4.39Å; I43-I57 HydrophobicContact CG1-CD1 3.91Å; I43-I57 HydrophobicContact CG1-CG1 3.73Å; I57-F59 WeakPolarHBondContact CG2-O 3.42Å; I57-L74 HydrophobicContact CD1-CD1 4.25Å; I57-L74 HydrophobicContact CD1-CD2 4.39Å; I57-L74 HydrophobicContact CG2-CD2 4.15Å; I57-C75 CarbonylContact C-O 3.38Å; I57-C75 WeakPolarHBondContact CA-O 3.45Å; I57-I76 HydrophobicContact CG1-CG2 4.35Å |
| 58 | L | 83 | Confident | 75.3 | Confident | 110 Ų | 110 | 83.7 Ų | 83.7 | 58% | 0.576 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | -39.5 | 179.2 | -60 | -176.7 | 0 | 0 | 0 | 111.1 | C75 A77 | L58-C75 PolarHBondContact N-O 3.19Å; L58-A77 HydrophobicContact CD1-CB 4.45Å; L58-A77 HydrophobicContact CD2-CB 4Å; L58-A77 HydrophobicContact CG-CB 4.26Å |
| 59 | F | 83.1 | Confident | 76.3 | Confident | 69 Ų | 69 | 85.1 Ų | 85.1 | 30% | 0.303 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 161.7 | 170.3 | 69.3 | -91.3 | 0 | 0 | 0 | 110.4 | F13 I57 C75 | F13-F59 HydrophobicContact CD1-CE2 4.32Å; F13-F59 HydrophobicContact CD1-CZ 4.18Å; F13-F59 HydrophobicContact CD2-CZ 4.36Å; F13-F59 HydrophobicContact CE1-CE1 4.3Å; F13-F59 AromaticContact CE1-CE2 3.85Å; F13-F59 HydrophobicContact CE1-CE2 3.85Å; F13-F59 AromaticContact CE1-CZ 3.32Å; F13-F59 HydrophobicContact CE1-CZ 3.32Å; F13-F59 AromaticContact CE2-CE1 3.77Å; F13-F59 HydrophobicContact CE2-CE1 3.77Å; F13-F59 HydrophobicContact CE2-CE2 4.28Å; F13-F59 AromaticContact CE2-CZ 3.53Å; F13-F59 HydrophobicContact CE2-CZ 3.53Å; F13-F59 AromaticContact CZ-CE1 3.53Å; F13-F59 HydrophobicContact CZ-CE1 3.53Å; F13-F59 AromaticContact CZ-CE2 3.87Å; F13-F59 HydrophobicContact CZ-CE2 3.87Å; F13-F59 AromaticContact CZ-CZ 2.97Å; F13-F59 HydrophobicContact CZ-CZ 2.97Å; I57-F59 WeakPolarHBondContact CG2-O 3.42Å; F59-C75 HydrophobicContact CD1-CB 3.48Å; F59-C75 VanDerWaalsContact CD1-CB 3.48Å; F59-C75 HydrophobicContact CD2-CB 4.32Å; F59-C75 HydrophobicContact CE1-CB 2.98Å; F59-C75 WeakPolarHBondContact CE1-SG 3.44Å; F59-C75 HydrophobicContact CE2-CB 3.9Å; F59-C75 HydrophobicContact CG-CB 4.09Å; F59-C75 HydrophobicContact CZ-CB 3.15Å; F59-C75 PolarHBondContact O-N 3.48Å |
| 60 | E | 81.9 | Confident | 77.1 | Confident | 115 Ų | 115 | 86.6 Ų | 86.6 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.2 | 172 | 174.2 | 175.8 | 71.1 | 0 | 0 | 108.4 | I73 L74 | E60-I73 WeakPolarHBondContact CA-O 3.36Å; E60-L74 HydrophobicContact CB-CD2 3.58Å; E60-L74 HydrophobicContact CG-CD2 3.6Å; E60-L74 WeakPolarHBondContact OE2-CD2 3.4Å |
| 61 | E | 79.3 | Confident | 77.9 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 29% | 0.285 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.6 | 172.4 | -168.6 | 165.8 | 48.7 | 0 | 0 | 109.8 | F63 S72 I73 | E61-F63 HydrophobicContact CB-CE2 3.77Å; E61-F63 HydrophobicContact CB-CZ 4.27Å; E61-F63 HydrophobicContact CG-CD2 4.34Å; E61-F63 HydrophobicContact CG-CE1 4.44Å; E61-F63 HydrophobicContact CG-CE2 3.54Å; E61-F63 HydrophobicContact CG-CZ 3.63Å; E61-F63 WeakPolarHBondContact O-CD2 3.28Å; E61-F63 WeakPolarHBondContact OE1-CZ 3.42Å; E61-S72 CarbonylContact O-C 3.58Å; E61-S72 WeakPolarHBondContact O-CA 3.47Å; E61-I73 PolarHBondContact N-O 2.81Å; E61-I73 PolarHBondContact O-N 3.13Å |
| 62 | T | 79.8 | Confident | 78.7 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 39% | 0.387 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.5 | -179.8 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | Y64 F71 S72 | T62-Y64 HydrophobicContact CG2-CE2 4.25Å; T62-F71 WeakPolarHBondContact CA-O 3.36Å; T62-S72 PolarHBondContact OG1-OG 3.29Å |
| 63 | F | 77.2 | Confident | 79.4 | Confident | 21 Ų | 21 | 82.4 Ų | 82.4 | 9% | 0.092 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151.6 | 178.8 | -65.5 | -89.4 | 0 | 0 | 0 | 110.1 | L8 N11 E61 S70 F71 I73 | L8-F63 HydrophobicContact CD1-CD1 4.02Å; L8-F63 HydrophobicContact CD1-CD2 4.19Å; L8-F63 HydrophobicContact CD1-CE1 3.63Å; L8-F63 HydrophobicContact CD1-CE2 3.82Å; L8-F63 HydrophobicContact CD1-CG 4.26Å; L8-F63 HydrophobicContact CD1-CZ 3.5Å; L8-F63 VanDerWaalsContact CD1-CZ 3.5Å; N11-F63 HydrophobicContact CB-CE1 3.83Å; N11-F63 HydrophobicContact CB-CZ 4.33Å; N11-F63 WeakPolarHBondContact ND2-CE1 3.34Å; E61-F63 HydrophobicContact CB-CE2 3.77Å; E61-F63 HydrophobicContact CB-CZ 4.27Å; E61-F63 HydrophobicContact CG-CD2 4.34Å; E61-F63 HydrophobicContact CG-CE1 4.44Å; E61-F63 HydrophobicContact CG-CE2 3.54Å; E61-F63 HydrophobicContact CG-CZ 3.63Å; E61-F63 WeakPolarHBondContact O-CD2 3.28Å; E61-F63 WeakPolarHBondContact OE1-CZ 3.42Å; F63-S70 CarbonylContact O-C 3.59Å; F63-S70 WeakPolarHBondContact O-CA 3.42Å; F63-F71 PolarHBondContact N-O 3.34Å; F63-F71 PolarHBondContact O-N 2.92Å; F63-I73 HydrophobicContact CD2-CB 4.5Å; F63-I73 HydrophobicContact CD2-CD1 3.9Å; F63-I73 HydrophobicContact CD2-CG1 3.95Å; F63-I73 HydrophobicContact CE2-CB 4.14Å; F63-I73 HydrophobicContact CE2-CD1 3.62Å; F63-I73 HydrophobicContact CE2-CG1 3.9Å; F63-I73 HydrophobicContact CZ-CD1 4.39Å |
| 64 | Y | 76.6 | Confident | 79.7 | Confident | 149 Ų | 149 | 83 Ų | 83 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 138.6 | 173.4 | -64.9 | -95.7 | 0 | 0 | 0 | 108.9 | T62 E69 | T62-Y64 HydrophobicContact CG2-CE2 4.25Å; Y64-E69 CarbonylContact C-O 3.42Å; Y64-E69 WeakPolarHBondContact CA-O 3.18Å |
| 65 | N | 73.6 | Confident | 79.7 | Confident | 56 Ų | 56 | 82.7 Ų | 82.7 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | trans | -87.5 | 178.5 | 171.5 | 75.5 | 4.2 | 0 | 0 | 0 | 111.4 | K67 E68 E69 F71 | N65-K67 PolarHBondContact O-N 3.38Å; N65-K67 VanDerWaalsContact O-N 3.08Å; N65-K67 WeakPolarHBondContact OD1-CA 3.3Å; N65-K67 WeakPolarHBondContact OD1-CB 3.32Å; N65-K67 PolarHBondContact OD1-N 3.32Å; N65-E68 PolarHBondContact O-N 2.91Å; N65-E68 PolarHBondContact OD1-N 2.97Å; N65-E69 PolarHBondContact N-O 2.8Å; N65-E69 PolarHBondContact ND2-OE2 2.98Å; N65-E69 WeakPolarHBondContact OD1-CB 3.5Å; N65-E69 PolarHBondContact OD1-N 3.07Å; N65-E69 PolarHBondContact OD1-O 3.04Å; N65-F71 HydrophobicContact CB-CE2 3.92Å; N65-F71 WeakPolarHBondContact ND2-CE2 3.35Å | ||
| 66 | E | 77.8 | Confident | 79.5 | Confident | 204 Ų | 204 | 84.8 Ų | 84.8 | 95% | 0.953 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.5 | 178.8 | -59 | 177.2 | 105.8 | 0 | 0 | 114.3 | ||
| 67 | K | 83.4 | Confident | 79.4 | Confident | 162 Ų | 162 | 85.5 Ų | 85.5 | 70% | 0.704 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 11.5 | 176.3 | -59.6 | 179.7 | -178.1 | 174.3 | 0 | 112.6 | N65 E69 | N65-K67 PolarHBondContact O-N 3.38Å; N65-K67 VanDerWaalsContact O-N 3.08Å; N65-K67 WeakPolarHBondContact OD1-CA 3.3Å; N65-K67 WeakPolarHBondContact OD1-CB 3.32Å; N65-K67 PolarHBondContact OD1-N 3.32Å; K67-E69 HydrophobicContact CB-CG 4.07Å; K67-E69 PolarHBondContact O-N 3.24Å |
| 68 | E | 80.1 | Confident | 79.2 | Confident | 176 Ų | 176 | 88.1 Ų | 88.1 | 82% | 0.822 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 63 | 17.8 | -175.2 | -50.9 | 179.8 | 91.6 | 0 | 0 | 113.5 | N65 | N65-E68 PolarHBondContact O-N 2.91Å; N65-E68 PolarHBondContact OD1-N 2.97Å |
| 69 | E | 79.1 | Confident | 78.8 | Confident | 96 Ų | 96 | 86.9 Ų | 86.9 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | trans | -83 | 130.7 | 174.5 | -56.1 | 172.8 | 107 | 0 | 0 | 109.6 | Y64 N65 K67 F71 | Y64-E69 CarbonylContact C-O 3.42Å; Y64-E69 WeakPolarHBondContact CA-O 3.18Å; N65-E69 PolarHBondContact N-O 2.8Å; N65-E69 PolarHBondContact ND2-OE2 2.98Å; N65-E69 WeakPolarHBondContact OD1-CB 3.5Å; N65-E69 PolarHBondContact OD1-N 3.07Å; N65-E69 PolarHBondContact OD1-O 3.04Å; K67-E69 HydrophobicContact CB-CG 4.07Å; K67-E69 PolarHBondContact O-N 3.24Å; E69-F71 HydrophobicContact CB-CE2 3.92Å; E69-F71 HydrophobicContact CB-CZ 4.18Å; E69-F71 WeakPolarHBondContact O-CE2 3.31Å | ||
| 70 | S | 79.1 | Confident | 78.3 | Confident | 72 Ų | 72 | 84.5 Ų | 84.5 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.1 | 179.8 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | F63 | F63-S70 CarbonylContact O-C 3.59Å; F63-S70 WeakPolarHBondContact O-CA 3.42Å |
| 71 | F | 76.4 | Confident | 77.7 | Confident | 116 Ų | 116 | 85.6 Ų | 85.6 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.6 | 172 | -56.1 | -92 | 0 | 0 | 0 | 109.5 | T62 F63 N65 E69 | T62-F71 WeakPolarHBondContact CA-O 3.36Å; F63-F71 PolarHBondContact N-O 3.34Å; F63-F71 PolarHBondContact O-N 2.92Å; N65-F71 HydrophobicContact CB-CE2 3.92Å; N65-F71 WeakPolarHBondContact ND2-CE2 3.35Å; E69-F71 HydrophobicContact CB-CE2 3.92Å; E69-F71 HydrophobicContact CB-CZ 4.18Å; E69-F71 WeakPolarHBondContact O-CE2 3.31Å |
| 72 | S | 75.4 | Confident | 76.8 | Confident | 64 Ų | 64 | 92.7 Ų | 92.7 | 45% | 0.448 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 129.8 | 173.3 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | E61 T62 | E61-S72 CarbonylContact O-C 3.58Å; E61-S72 WeakPolarHBondContact O-CA 3.47Å; T62-S72 PolarHBondContact OG1-OG 3.29Å |
| 73 | I | 78.4 | Confident | 75.6 | Confident | 60 Ų | 60 | 99.6 Ų | 99.6 | 31% | 0.308 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.2 | 168 | -61 | -176 | 0 | 0 | 0 | 108.1 | L8 E60 E61 F63 | L8-I73 HydrophobicContact CD1-CD1 3.38Å; L8-I73 HydrophobicContact CD2-CD1 3.78Å; L8-I73 HydrophobicContact CG-CD1 4.24Å; E60-I73 WeakPolarHBondContact CA-O 3.36Å; E61-I73 PolarHBondContact N-O 2.81Å; E61-I73 PolarHBondContact O-N 3.13Å; F63-I73 HydrophobicContact CD2-CB 4.5Å; F63-I73 HydrophobicContact CD2-CD1 3.9Å; F63-I73 HydrophobicContact CD2-CG1 3.95Å; F63-I73 HydrophobicContact CE2-CB 4.14Å; F63-I73 HydrophobicContact CE2-CD1 3.62Å; F63-I73 HydrophobicContact CE2-CG1 3.9Å; F63-I73 HydrophobicContact CZ-CD1 4.39Å |
| 74 | L | 79.1 | Confident | 74.1 | Confident | 48 Ų | 48 | 107.9 Ų | 107.9 | 25% | 0.251 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.6 | 177.3 | -60 | 176.7 | 0 | 0 | 0 | 110.2 | I38 I43 I57 E60 | I38-L74 HydrophobicContact CD1-CD1 3.58Å; I38-L74 HydrophobicContact CG1-CD1 4.27Å; I43-L74 HydrophobicContact CD1-CD1 3.94Å; I57-L74 HydrophobicContact CD1-CD1 4.25Å; I57-L74 HydrophobicContact CD1-CD2 4.39Å; I57-L74 HydrophobicContact CG2-CD2 4.15Å; E60-L74 HydrophobicContact CB-CD2 3.58Å; E60-L74 HydrophobicContact CG-CD2 3.6Å; E60-L74 WeakPolarHBondContact OE2-CD2 3.4Å |
| 75 | C | 78.9 | Confident | 72.4 | Confident | 33 Ų | 33 | 110.7 Ų | 110.7 | 22% | 0.223 | 55% | 0.55 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.9 | 165.6 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | I57 L58 F59 | I57-C75 CarbonylContact C-O 3.38Å; I57-C75 WeakPolarHBondContact CA-O 3.45Å; L58-C75 PolarHBondContact N-O 3.19Å; F59-C75 HydrophobicContact CD1-CB 3.48Å; F59-C75 VanDerWaalsContact CD1-CB 3.48Å; F59-C75 HydrophobicContact CD2-CB 4.32Å; F59-C75 HydrophobicContact CE1-CB 2.98Å; F59-C75 WeakPolarHBondContact CE1-SG 3.44Å; F59-C75 HydrophobicContact CE2-CB 3.9Å; F59-C75 HydrophobicContact CG-CB 4.09Å; F59-C75 HydrophobicContact CZ-CB 3.15Å; F59-C75 PolarHBondContact O-N 3.48Å |
| 76 | I | 81.4 | Confident | 72.4 | Confident | 44 Ų | 44 | 113.5 Ų | 113.5 | 23% | 0.226 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.4 | -176.4 | 58.7 | 174.4 | 0 | 0 | 0 | 111.8 | I43 V55 P56 I57 H78 L80 | I43-I76 HydrophobicContact CD1-CG2 3.46Å; I43-I76 VanDerWaalsContact CD1-CG2 3.46Å; I43-I76 HydrophobicContact CG1-CG2 3.99Å; V55-I76 HydrophobicContact CG1-CB 3.76Å; V55-I76 HydrophobicContact CG1-CD1 4.36Å; V55-I76 HydrophobicContact CG1-CG1 4.39Å; P56-I76 WeakPolarHBondContact O-CA 3.21Å; I57-I76 HydrophobicContact CG1-CG2 4.35Å; I76-H78 VanDerWaalsContact C-N 3.28Å; I76-H78 WeakPolarHBondContact CD1-O 3.32Å; I76-H78 PolarHBondContact O-N 3.17Å; I76-L80 HydrophobicContact CD1-CD1 3.89Å; I76-L80 HydrophobicContact CD1-CD2 3.86Å; I76-L80 HydrophobicContact CD1-CG 3.56Å |
| 77 | A | 79.6 | Confident | 72.1 | Confident | 50 Ų | 50 | 108.7 Ų | 108.7 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -63.8 | -29.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V55 P56 L58 | V55-A77 HydrophobicContact CG1-CB 4.44Å; P56-A77 HydrophobicContact CB-CB 4.12Å; P56-A77 HydrophobicContact CG-CB 4.03Å; P56-A77 PolarHBondContact O-N 3.04Å; L58-A77 HydrophobicContact CD1-CB 4.45Å; L58-A77 HydrophobicContact CD2-CB 4Å; L58-A77 HydrophobicContact CG-CB 4.26Å |
| 78 | H | 80.2 | Confident | 71.5 | Confident | 81 Ų | 81 | 105.7 Ų | 105.7 | 38% | 0.375 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -152.5 | 160.3 | 177.4 | 54.6 | 81.8 | 0 | 0 | 0 | 111.6 | V55 I76 | V55-H78 WeakPolarHBondContact CG1-O 3.46Å; V55-H78 WeakPolarHBondContact CG2-CE1 3.23Å; I76-H78 VanDerWaalsContact C-N 3.28Å; I76-H78 WeakPolarHBondContact CD1-O 3.32Å; I76-H78 PolarHBondContact O-N 3.17Å |
| 79 | P | 74.4 | Confident | 71 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | trans | -56.6 | 149.4 | 177.6 | -24.5 | 34.7 | 0 | 0 | 0 | 112.9 | ||||
| 80 | L | 73.2 | Confident | 70.5 | Confident | 19 Ų | 19 | 101.9 Ų | 101.9 | 10% | 0.099 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -79.3 | -20.3 | 177.6 | -63.6 | 169.1 | 0 | 0 | 0 | 112.4 | I31 I43 L45 L53 V55 I76 | I31-L80 HydrophobicContact CD1-CD1 3.58Å; I43-L80 HydrophobicContact CB-CD2 4.49Å; I43-L80 HydrophobicContact CG2-CD2 3.94Å; L45-L80 HydrophobicContact CD1-CB 3.81Å; L45-L80 HydrophobicContact CD1-CD2 4.04Å; L45-L80 HydrophobicContact CD1-CG 4.47Å; L45-L80 VanDerWaalsContact CD1-O 3.23Å; L45-L80 WeakPolarHBondContact CD1-O 3.48Å; L45-L80 HydrophobicContact CD2-CB 4.11Å; L45-L80 HydrophobicContact CD2-CD1 4.05Å; L45-L80 HydrophobicContact CD2-CD2 3.69Å; L45-L80 HydrophobicContact CD2-CG 4.13Å; L45-L80 HydrophobicContact CG-CB 4.49Å; L45-L80 HydrophobicContact CG-CD2 3.99Å; L53-L80 WeakPolarHBondContact CD1-O 3.36Å; V55-L80 HydrophobicContact CB-CD2 4.08Å; V55-L80 HydrophobicContact CG2-CD2 3.39Å; I76-L80 HydrophobicContact CD1-CD1 3.89Å; I76-L80 HydrophobicContact CD1-CD2 3.86Å; I76-L80 HydrophobicContact CD1-CG 3.56Å |
| 81 | E | 68.3 | Low | 69.9 | Low | 139 Ų | 139 | 103.9 Ų | 103.9 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -104.7 | 132.9 | 177.6 | -64.2 | 172.9 | 101.8 | 0 | 0 | 110.4 | F49 | F49-E81 HydrophobicContact CE1-CG 3.99Š|
| 82 | R | 59.8 | Low | 69.4 | Low | 210 Ų | 210 | 103.1 Ų | 103.1 | 79% | 0.792 | 52% | 0.522 | S | S | * | . | trans | -71.7 | 129.7 | 162.4 | -85.8 | -167.8 | 178.1 | -177.3 | 0.8 | 107.5 | E84 | R82-E84 PolarHBondContact O-N 3.08Š| ||
| 83 | R | 54.5 | Low | 69 | Low | 207 Ų | 207 | 106.1 Ų | 106.1 | 78% | 0.781 | 53% | 0.527 | S | S | * | . | trans | -60.2 | 109.8 | 162.8 | -76.9 | 177.9 | 171 | 163.6 | -2.1 | 107.1 | T85 | R83-T85 PolarHBondContact O-N 3.31Š| ||
| 84 | E | 47.5 | Very low | 68.2 | Low | 195 Ų | 195 | 109.9 Ų | 109.9 | 91% | 0.911 | 55% | 0.546 | S | S | * | . | trans | -57.6 | 126.2 | 159.5 | -65.6 | -170.3 | 90 | 0 | 0 | 106.6 | R82 | R82-E84 PolarHBondContact O-N 3.08Š| ||
| 85 | T | 41 | Very low | 67.2 | Low | 209 Ų | 209 | 115.5 Ų | 115.5 | 100% | 1.282 | 57% | 0.573 | S | S | * | * | trans | -90.3 | 0 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | R83 | R83-T85 PolarHBondContact O-N 3.31Š|
Retrieved 85 of 85 residues in 37.8 ms
(Link to these results)