| 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 | 57.9 | Low | 83.3 | Confident | 244 Ų | 244 | 97.5 Ų | 97.5 | 100% | 1.202 | 53% | 0.531 | S | S | * | . | 0 | 128.7 | 0 | -96.9 | -178.8 | 173.8 | 0 | 0 | 107.2 | |||||
| 2 | D | 73.8 | Confident | 84.3 | Confident | 89 Ų | 89 | 97.1 Ų | 97.1 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | trans | -75.6 | 131.5 | 169.2 | -89.6 | -50.3 | 0 | 0 | 0 | 109.5 | D4 Y11 R14 | D2-D4 VanDerWaalsContact C-N 3.26Å; D2-D4 WeakPolarHBondContact CB-O 3.31Å; D2-Y11 HydrophobicContact CB-CE2 4.5Å; D2-R14 IonicContact OD1-CZ 3.6Å; D2-R14 IonicContact OD1-NH1 3.5Å; D2-R14 IonicContact OD1-NH2 2.75Å; D2-R14 PolarHBondContact OD1-NH2 3.06Å | ||
| 3 | V | 74.8 | Confident | 85 | Confident | 104 Ų | 104 | 97.3 Ų | 97.3 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -69.3 | -28.8 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | M32 | V3-M32 HydrophobicContact CB-CE 4.4Å; V3-M32 HydrophobicContact CB-CG 4.34Å; V3-M32 HydrophobicContact CG1-CE 4Å; V3-M32 HydrophobicContact CG1-CG 4.26Å; V3-M32 HydrophobicContact CG1-SD 4.45Å; V3-M32 HydrophobicContact CG2-CG 4.18Å |
| 4 | D | 82.2 | Confident | 85.6 | Confident | 18 Ų | 18 | 92.5 Ų | 92.5 | 10% | 0.096 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -126.5 | 159 | -179.1 | -84.3 | -51.5 | 0 | 0 | 0 | 112 | D2 K8 S10 Y11 M32 | D2-D4 VanDerWaalsContact C-N 3.26Å; D2-D4 WeakPolarHBondContact CB-O 3.31Å; D4-K8 HydrophobicContact CB-CD 4.09Å; D4-K8 WeakPolarHBondContact OD1-CD 3.18Å; D4-K8 IonicContact OD1-NZ 2.77Å; D4-K8 PolarHBondContact OD1-NZ 3.35Å; D4-S10 WeakPolarHBondContact OD2-CB 3.46Å; D4-S10 PolarHBondContact OD2-OG 2.87Å; D4-Y11 WeakPolarHBondContact O-CD2 3.17Å; D4-M32 WeakPolarHBondContact OD2-CE 3.41Å |
| 5 | K | 85.3 | Confident | 86 | Confident | 166 Ų | 166 | 95.3 Ų | 95.3 | 72% | 0.722 | 50% | 0.499 | S | S | * | . | trans | -91.5 | 151.9 | 179.4 | -62.6 | -179.4 | -179.3 | -180 | 0 | 110.8 | K8 Y11 | K5-K8 PolarHBondContact O-N 3.07Å; K5-Y11 WeakPolarHBondContact O-CB 3.3Å | ||
| 6 | P | 87.7 | Confident | 86.6 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | 140.7 | 169 | -26.6 | 32.5 | 0 | 0 | 0 | 112.8 | Y11 | P6-Y11 HydrophobicContact CB-CD1 4.32Å; P6-Y11 HydrophobicContact CB-CE1 3.97Å; P6-Y11 HydrophobicContact CG-CE1 4.01Å; P6-Y11 HydrophobicContact CG-CE2 4.05Å |
| 7 | G | 88.2 | Confident | 87 | Confident | 65 Ų | 65 | 92.9 Ų | 92.9 | 67% | 0.67 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | -3.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E12 | G7-E12 PolarHBondContact N-OE1 2.91Š|
| 8 | K | 91.4 | Very high | 87.4 | Confident | 112 Ų | 112 | 89.4 Ų | 89.4 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -89.3 | 142.9 | 164.3 | -78.5 | -175 | 167.7 | -172.7 | 0 | 110.8 | D4 K5 S10 Y11 E12 | D4-K8 HydrophobicContact CB-CD 4.09Å; D4-K8 WeakPolarHBondContact OD1-CD 3.18Å; D4-K8 IonicContact OD1-NZ 2.77Å; D4-K8 PolarHBondContact OD1-NZ 3.35Å; K5-K8 PolarHBondContact O-N 3.07Å; K8-S10 VanDerWaalsContact C-N 3.27Å; K8-S10 PolarHBondContact O-N 3.19Å; K8-Y11 WeakPolarHBondContact O-CA 3.24Å; K8-Y11 VanDerWaalsContact O-CB 3.31Å; K8-Y11 WeakPolarHBondContact O-CB 3.32Å; K8-Y11 PolarHBondContact O-N 2.88Å; K8-E12 PolarHBondContact O-N 3.43Å; K8-E12 VanDerWaalsContact O-N 3.07Å |
| 9 | D | 92.1 | Very high | 87.8 | Confident | 135 Ų | 135 | 88.3 Ų | 88.3 | 72% | 0.722 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -53.7 | -42 | 178.4 | -63.4 | -5.1 | 0 | 0 | 0 | 113 | Y11 E12 L13 | D9-Y11 VanDerWaalsContact C-N 3.28Å; D9-Y11 PolarHBondContact O-N 3.26Å; D9-E12 PolarHBondContact O-N 3.34Å; D9-L13 WeakPolarHBondContact O-CB 3.43Å; D9-L13 VanDerWaalsContact O-CG 3.24Å; D9-L13 WeakPolarHBondContact O-CG 3.37Å; D9-L13 PolarHBondContact O-N 3.42Å |
| 10 | S | 91.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 90.2 Ų | 90.2 | 10% | 0.098 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -63.2 | -31.8 | 177 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | D4 K8 R14 | D4-S10 WeakPolarHBondContact OD2-CB 3.46Å; D4-S10 PolarHBondContact OD2-OG 2.87Å; K8-S10 VanDerWaalsContact C-N 3.27Å; K8-S10 PolarHBondContact O-N 3.19Å; S10-R14 WeakPolarHBondContact O-CG 3.36Å; S10-R14 PolarHBondContact O-N 3.05Å |
| 11 | Y | 92.1 | Very high | 88.5 | Confident | 30 Ų | 30 | 86.3 Ų | 86.3 | 12% | 0.118 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -70.9 | -48.7 | 173.8 | 179.3 | -85.4 | 0 | 0 | 0 | 110.6 | D2 D4 K5 P6 K8 D9 L13 R14 K15 | D2-Y11 HydrophobicContact CB-CE2 4.5Å; D4-Y11 WeakPolarHBondContact O-CD2 3.17Å; K5-Y11 WeakPolarHBondContact O-CB 3.3Å; P6-Y11 HydrophobicContact CB-CD1 4.32Å; P6-Y11 HydrophobicContact CB-CE1 3.97Å; P6-Y11 HydrophobicContact CG-CE1 4.01Å; P6-Y11 HydrophobicContact CG-CE2 4.05Å; K8-Y11 WeakPolarHBondContact O-CA 3.24Å; K8-Y11 VanDerWaalsContact O-CB 3.31Å; K8-Y11 WeakPolarHBondContact O-CB 3.32Å; K8-Y11 PolarHBondContact O-N 2.88Å; D9-Y11 VanDerWaalsContact C-N 3.28Å; D9-Y11 PolarHBondContact O-N 3.26Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 2.96Å; Y11-R14 PolarHBondContact O-N 3.36Å; Y11-K15 HydrophobicContact CD1-CG 3.92Å; Y11-K15 HydrophobicContact CE1-CD 4.35Å; Y11-K15 HydrophobicContact CE1-CG 3.49Å; Y11-K15 VanDerWaalsContact CE1-CG 3.49Å; Y11-K15 VanDerWaalsContact CZ-CE 3.44Å; Y11-K15 PolarHBondContact O-N 2.83Å; Y11-K15 WeakPolarHBondContact OH-CE 3.37Å |
| 12 | E | 94.5 | Very high | 90.3 | Very high | 93 Ų | 93 | 79.9 Ų | 79.9 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | -178.1 | -58.1 | -52.1 | 146.4 | 0 | 0 | 111.9 | G7 K8 D9 K15 A16 | G7-E12 PolarHBondContact N-OE1 2.91Å; K8-E12 PolarHBondContact O-N 3.43Å; K8-E12 VanDerWaalsContact O-N 3.07Å; D9-E12 PolarHBondContact O-N 3.34Å; E12-K15 PolarHBondContact O-N 2.77Å; E12-A16 WeakPolarHBondContact O-CB 3.5Å; E12-A16 PolarHBondContact O-N 2.56Å |
| 13 | L | 94 | Very high | 91.2 | Very high | 100 Ų | 100 | 78.8 Ų | 78.8 | 52% | 0.524 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.4 | -73.4 | 171.8 | 0 | 0 | 0 | 112.4 | D9 Y11 A16 G17 A18 | D9-L13 WeakPolarHBondContact O-CB 3.43Å; D9-L13 VanDerWaalsContact O-CG 3.24Å; D9-L13 WeakPolarHBondContact O-CG 3.37Å; D9-L13 PolarHBondContact O-N 3.42Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 2.96Å; L13-A16 PolarHBondContact O-N 3.41Å; L13-G17 PolarHBondContact O-N 3.31Å; L13-A18 HydrophobicContact CB-CB 4.38Å; L13-A18 WeakPolarHBondContact O-CB 2.98Å; L13-A18 PolarHBondContact O-N 3.3Å |
| 14 | R | 93.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 77.4 Ų | 77.4 | 11% | 0.113 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.6 | -68.1 | -178.5 | -41.8 | 98.2 | -1.6 | 111.4 | D2 S10 Y11 A16 G17 T21 E34 | D2-R14 IonicContact OD1-CZ 3.6Å; D2-R14 IonicContact OD1-NH1 3.5Å; D2-R14 IonicContact OD1-NH2 2.75Å; D2-R14 PolarHBondContact OD1-NH2 3.06Å; S10-R14 WeakPolarHBondContact O-CG 3.36Å; S10-R14 PolarHBondContact O-N 3.05Å; Y11-R14 PolarHBondContact O-N 3.36Å; R14-A16 PolarHBondContact O-N 3.36Å; R14-G17 WeakPolarHBondContact O-CA 3.35Å; R14-G17 PolarHBondContact O-N 3.27Å; R14-T21 VanDerWaalsContact CG-OG1 3.3Å; R14-T21 WeakPolarHBondContact CG-OG1 3.32Å; R14-E34 WeakPolarHBondContact CD-OE1 3.37Å; R14-E34 IonicContact CZ-OE1 3.63Å; R14-E34 IonicContact NE-OE1 3.8Å; R14-E34 IonicContact NH1-OE1 2.72Å; R14-E34 PolarHBondContact NH1-OE1 2.92Å |
| 15 | K | 91.8 | Very high | 92.8 | Very high | 134 Ų | 134 | 80 Ų | 80 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.8 | -31.2 | 174.4 | -76.9 | -58.7 | -163.3 | -175 | 0 | 113.1 | Y11 E12 G17 | Y11-K15 HydrophobicContact CD1-CG 3.92Å; Y11-K15 HydrophobicContact CE1-CD 4.35Å; Y11-K15 HydrophobicContact CE1-CG 3.49Å; Y11-K15 VanDerWaalsContact CE1-CG 3.49Å; Y11-K15 VanDerWaalsContact CZ-CE 3.44Å; Y11-K15 PolarHBondContact O-N 2.83Å; Y11-K15 WeakPolarHBondContact OH-CE 3.37Å; E12-K15 PolarHBondContact O-N 2.77Å; K15-G17 PolarHBondContact O-N 3.33Å |
| 16 | A | 94.5 | Very high | 93.3 | Very high | 88 Ų | 88 | 82.1 Ų | 82.1 | 73% | 0.727 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -0.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E12 L13 R14 | E12-A16 WeakPolarHBondContact O-CB 3.5Å; E12-A16 PolarHBondContact O-N 2.56Å; L13-A16 PolarHBondContact O-N 3.41Å; R14-A16 PolarHBondContact O-N 3.36Å |
| 17 | G | 94 | Very high | 93.7 | Very high | 63 Ų | 63 | 85.6 Ų | 85.6 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.6 | 14.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L13 R14 K15 A19 | L13-G17 PolarHBondContact O-N 3.31Å; R14-G17 WeakPolarHBondContact O-CA 3.35Å; R14-G17 PolarHBondContact O-N 3.27Å; K15-G17 PolarHBondContact O-N 3.33Å; G17-A19 PolarHBondContact O-N 3.17Å; G17-A19 VanDerWaalsContact O-N 3.09Å |
| 18 | A | 95.2 | Very high | 94.1 | Very high | 30 Ų | 30 | 91.3 Ų | 91.3 | 25% | 0.248 | 50% | 0.498 | C | S | . | . | trans | -63.1 | 112.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L13 Q20 | L13-A18 HydrophobicContact CB-CB 4.38Å; L13-A18 WeakPolarHBondContact O-CB 2.98Å; L13-A18 PolarHBondContact O-N 3.3Å; A18-Q20 PolarHBondContact O-N 2.95Å | ||
| 19 | A | 94.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 94.6 Ų | 94.6 | 56% | 0.562 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -63.7 | -28.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | G17 T33 E34 | G17-A19 PolarHBondContact O-N 3.17Å; G17-A19 VanDerWaalsContact O-N 3.09Å; A19-T33 WeakPolarHBondContact O-CA 3.22Å; A19-E34 PolarHBondContact O-N 2.83Å |
| 20 | Q | 95.3 | Very high | 94.4 | Very high | 125 Ų | 125 | 90.5 Ų | 90.5 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.9 | 174.7 | -67.9 | -174.2 | 5.5 | 0 | 0 | 110.6 | A18 L31 M32 T33 | A18-Q20 PolarHBondContact O-N 2.95Å; Q20-L31 HydrophobicContact CB-CD1 4.17Å; Q20-M32 CarbonylContact C-O 3.5Å; Q20-M32 VanDerWaalsContact CA-O 3.27Å; Q20-M32 WeakPolarHBondContact CA-O 3.16Å; Q20-T33 HydrophobicContact CG-CG2 3.95Å |
| 21 | T | 95.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 93.6 Ų | 93.6 | 6% | 0.061 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133.8 | 175.9 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | R14 M32 | R14-T21 VanDerWaalsContact CG-OG1 3.3Å; R14-T21 WeakPolarHBondContact CG-OG1 3.32Å; T21-M32 PolarHBondContact N-O 2.72Å; T21-M32 PolarHBondContact O-N 2.87Å |
| 22 | I | 95 | Very high | 94.5 | Very high | 109 Ų | 109 | 93.2 Ų | 93.2 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.4 | 174.5 | -65.8 | 176.3 | 0 | 0 | 0 | 109.4 | A24 A30 L31 | I22-A24 HydrophobicContact CG2-CB 4.35Å; I22-A30 WeakPolarHBondContact CA-O 3.48Å; I22-L31 HydrophobicContact CD1-CD1 4.1Å; I22-L31 HydrophobicContact CG1-CB 4.21Å; I22-L31 HydrophobicContact CG1-CD1 3.52Å; I22-L31 HydrophobicContact CG1-CG 4.46Å |
| 23 | V | 93.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 92.1 Ų | 92.1 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.7 | 167.3 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | W29 A30 M32 | V23-W29 CarbonylContact O-C 3.54Å; V23-W29 VanDerWaalsContact O-CA 3.22Å; V23-W29 WeakPolarHBondContact O-CA 3.27Å; V23-A30 PolarHBondContact N-O 2.75Å; V23-A30 PolarHBondContact O-N 3.09Å; V23-M32 HydrophobicContact CG2-CE 3.99Å |
| 24 | A | 94.6 | Very high | 94.4 | Very high | 74 Ų | 74 | 91 Ų | 91 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | I22 W29 | I22-A24 HydrophobicContact CG2-CB 4.35Å; A24-W29 HydrophobicContact CB-CB 3.77Å |
| 25 | S | 95.1 | Very high | 94.3 | Very high | 74 Ų | 74 | 92.6 Ų | 92.6 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | trans | -131.1 | 177.1 | 163 | 79.3 | 0 | 0 | 0 | 0 | 109.1 | Q27 R28 | S25-Q27 PolarHBondContact O-N 3.29Å; S25-Q27 VanDerWaalsContact O-N 3.17Å; S25-Q27 PolarHBondContact OG-N 2.91Å; S25-R28 PolarHBondContact N-O 2.9Å; S25-R28 VanDerWaalsContact O-O 3.13Å | ||
| 26 | Q | 96.6 | Very high | 94 | Very high | 209 Ų | 209 | 91.4 Ų | 91.4 | 98% | 0.977 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -60.1 | -25.5 | 176.9 | -67.7 | -179.7 | 47.7 | 0 | 0 | 113.5 | ||
| 27 | Q | 96.7 | Very high | 93.5 | Very high | 168 Ų | 168 | 94.5 Ų | 94.5 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -98.9 | -21.6 | -173.2 | -67.3 | -176.8 | -28.2 | 0 | 0 | 113.9 | S25 | S25-Q27 PolarHBondContact O-N 3.29Å; S25-Q27 VanDerWaalsContact O-N 3.17Å; S25-Q27 PolarHBondContact OG-N 2.91Å |
| 28 | R | 96 | Very high | 92.6 | Very high | 186 Ų | 186 | 97.6 Ų | 97.6 | 70% | 0.702 | 52% | 0.52 | S | S | * | . | trans | -165.7 | 158.5 | -176.8 | 64.2 | -168.9 | 71 | 175.4 | 2.2 | 111.5 | S25 | S25-R28 PolarHBondContact N-O 2.9Å; S25-R28 VanDerWaalsContact O-O 3.13Å | ||
| 29 | W | 95.1 | Very high | 91.8 | Very high | 181 Ų | 181 | 105.9 Ų | 105.9 | 69% | 0.686 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.1 | 168.8 | 61.1 | -90 | 0 | 0 | 0 | 110 | V23 A24 L31 | V23-W29 CarbonylContact O-C 3.54Å; V23-W29 VanDerWaalsContact O-CA 3.22Å; V23-W29 WeakPolarHBondContact O-CA 3.27Å; A24-W29 HydrophobicContact CB-CB 3.77Å; W29-L31 HydrophobicContact CE3-CB 4.16Å; W29-L31 HydrophobicContact CZ3-CB 3.59Å |
| 30 | A | 93.9 | Very high | 91.2 | Very high | 49 Ų | 49 | 109.7 Ų | 109.7 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | I22 V23 M32 | I22-A30 WeakPolarHBondContact CA-O 3.48Å; V23-A30 PolarHBondContact N-O 2.75Å; V23-A30 PolarHBondContact O-N 3.09Å; A30-M32 HydrophobicContact CB-SD 4.19Å |
| 31 | L | 94 | Very high | 90.8 | Very high | 78 Ų | 78 | 107.1 Ų | 107.1 | 41% | 0.408 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.8 | 170.8 | 168.7 | 67 | 0 | 0 | 0 | 108 | Q20 I22 W29 | Q20-L31 HydrophobicContact CB-CD1 4.17Å; I22-L31 HydrophobicContact CD1-CD1 4.1Å; I22-L31 HydrophobicContact CG1-CB 4.21Å; I22-L31 HydrophobicContact CG1-CD1 3.52Å; I22-L31 HydrophobicContact CG1-CG 4.46Å; W29-L31 HydrophobicContact CE3-CB 4.16Å; W29-L31 HydrophobicContact CZ3-CB 3.59Å |
| 32 | M | 93.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 110.8 Ų | 110.8 | 11% | 0.108 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.8 | 171.5 | -60.6 | 86.2 | 100.7 | 0 | 0 | 108.1 | V3 D4 Q20 T21 V23 A30 | V3-M32 HydrophobicContact CB-CE 4.4Å; V3-M32 HydrophobicContact CB-CG 4.34Å; V3-M32 HydrophobicContact CG1-CE 4Å; V3-M32 HydrophobicContact CG1-CG 4.26Å; V3-M32 HydrophobicContact CG1-SD 4.45Å; V3-M32 HydrophobicContact CG2-CG 4.18Å; D4-M32 WeakPolarHBondContact OD2-CE 3.41Å; Q20-M32 CarbonylContact C-O 3.5Å; Q20-M32 VanDerWaalsContact CA-O 3.27Å; Q20-M32 WeakPolarHBondContact CA-O 3.16Å; T21-M32 PolarHBondContact N-O 2.72Å; T21-M32 PolarHBondContact O-N 2.87Å; V23-M32 HydrophobicContact CG2-CE 3.99Å; A30-M32 HydrophobicContact CB-SD 4.19Å |
| 33 | T | 93 | Very high | 90.5 | Very high | 70 Ų | 70 | 106 Ų | 106 | 43% | 0.429 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.2 | 176 | -58.7 | 0 | 0 | 0 | 0 | 107.7 | A19 Q20 | A19-T33 WeakPolarHBondContact O-CA 3.22Å; Q20-T33 HydrophobicContact CG-CG2 3.95Å |
| 34 | E | 92.6 | Very high | 90.4 | Very high | 78 Ų | 78 | 106.9 Ų | 106.9 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | trans | -74.1 | 136.1 | 172.3 | -59.4 | -62.2 | 157.1 | 0 | 0 | 109.4 | R14 A19 P36 | R14-E34 WeakPolarHBondContact CD-OE1 3.37Å; R14-E34 IonicContact CZ-OE1 3.63Å; R14-E34 IonicContact NE-OE1 3.8Å; R14-E34 IonicContact NH1-OE1 2.72Å; R14-E34 PolarHBondContact NH1-OE1 2.92Å; A19-E34 PolarHBondContact O-N 2.83Å; E34-P36 VanDerWaalsContact C-CD 3.42Å | ||
| 35 | T | 90.9 | Very high | 90.3 | Very high | 62 Ų | 62 | 108.2 Ų | 108.2 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | trans | -126.2 | 61.5 | 178.7 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | D37 E38 L41 | T35-D37 VanDerWaalsContact C-N 3.29Å; T35-D37 PolarHBondContact O-N 3.4Å; T35-E38 HydrophobicContact CG2-CG 4.36Å; T35-L41 HydrophobicContact CG2-CD2 4.08Å | ||
| 36 | P | 84.8 | Confident | 90.2 | Very high | 110 Ų | 110 | 107.5 Ų | 107.5 | 71% | 0.714 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.8 | -170.9 | 28.6 | -35.8 | 0 | 0 | 0 | 113.8 | E34 | E34-P36 VanDerWaalsContact C-CD 3.42Š|
| 37 | D | 84.1 | Confident | 90.1 | Very high | 153 Ų | 153 | 97.8 Ų | 97.8 | 82% | 0.818 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -0.5 | -174.9 | -56 | -46.9 | 0 | 0 | 0 | 113.2 | T35 | T35-D37 VanDerWaalsContact C-N 3.29Å; T35-D37 PolarHBondContact O-N 3.4Å |
| 38 | E | 76.7 | Confident | 90 | Very high | 127 Ų | 127 | 93.2 Ų | 93.2 | 59% | 0.593 | 47% | 0.469 | S | S | * | . | trans | -88.7 | 120.7 | -179.9 | -62.7 | -70.9 | 172.5 | 0 | 0 | 110 | T35 | T35-E38 HydrophobicContact CG2-CG 4.36Š| ||
| 39 | E | 77.3 | Confident | 89.9 | Confident | 204 Ų | 204 | 92.6 Ų | 92.6 | 95% | 0.953 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -69.4 | -37.6 | 177.8 | -67.6 | -172 | 168.9 | 0 | 0 | 112.1 | ||
| 40 | E | 83.1 | Confident | 89.9 | Confident | 149 Ų | 149 | 88.3 Ų | 88.3 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -144.4 | 139 | 178.2 | -172.3 | 163.5 | -152.8 | 0 | 0 | 110.4 | D42 | E40-D42 PolarHBondContact O-N 2.75Š|
| 41 | L | 85.9 | Confident | 89.9 | Confident | 71 Ų | 71 | 89.5 Ų | 89.5 | 37% | 0.372 | 45% | 0.454 | S | S | . | . | trans | -77.2 | 120.2 | 178 | -71.6 | 173.5 | 0 | 0 | 0 | 110.2 | T35 L43 L46 F63 | T35-L41 HydrophobicContact CG2-CD2 4.08Å; L41-L43 PolarHBondContact O-N 3.38Å; L41-L46 HydrophobicContact CB-CD1 4.09Å; L41-L46 HydrophobicContact CD1-CD1 4.36Å; L41-F63 HydrophobicContact CB-CE1 4.06Å; L41-F63 HydrophobicContact CB-CZ 4.15Å; L41-F63 HydrophobicContact CD1-CZ 4.42Å | ||
| 42 | D | 90.3 | Very high | 89.8 | Confident | 87 Ų | 87 | 88.7 Ų | 88.7 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | trans | -73.9 | 111.7 | 170.7 | 172.5 | 2 | 0 | 0 | 0 | 110.5 | E40 Q44 F45 L46 | E40-D42 PolarHBondContact O-N 2.75Å; D42-Q44 VanDerWaalsContact C-N 3.31Å; D42-Q44 PolarHBondContact O-N 3.44Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.12Å; D42-Q44 VanDerWaalsContact OD1-CB 3.31Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.3Å; D42-Q44 PolarHBondContact OD1-N 3.07Å; D42-F45 HydrophobicContact CB-CB 3.8Å; D42-F45 WeakPolarHBondContact O-CB 3.32Å; D42-F45 PolarHBondContact O-N 3.01Å; D42-F45 PolarHBondContact OD1-N 2.59Å; D42-F45 WeakPolarHBondContact OD2-CB 3.39Å; D42-L46 WeakPolarHBondContact O-CG 3.47Å; D42-L46 PolarHBondContact O-N 3.17Å | ||
| 43 | L | 92.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 92.5 Ų | 92.5 | 4% | 0.042 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.7 | -36 | 179.2 | -178.8 | 60.2 | 0 | 0 | 0 | 113 | L41 L46 A47 V60 F63 E66 I68 | L41-L43 PolarHBondContact O-N 3.38Å; L43-L46 PolarHBondContact O-N 3.4Å; L43-A47 WeakPolarHBondContact O-CB 3.4Å; L43-A47 PolarHBondContact O-N 2.95Å; L43-V60 HydrophobicContact CD1-CG1 3.86Å; L43-V60 HydrophobicContact CD1-CG2 3.93Å; L43-V60 HydrophobicContact CD2-CG1 4.24Å; L43-V60 HydrophobicContact CD2-CG2 4.32Å; L43-F63 HydrophobicContact CB-CD1 4.03Å; L43-F63 HydrophobicContact CB-CE1 4.12Å; L43-F63 HydrophobicContact CD1-CD1 4.36Å; L43-F63 HydrophobicContact CD1-CD2 4.37Å; L43-F63 HydrophobicContact CD1-CE1 4.36Å; L43-F63 HydrophobicContact CD1-CE2 4.37Å; L43-F63 HydrophobicContact CD1-CG 4.37Å; L43-F63 HydrophobicContact CD1-CZ 4.37Å; L43-F63 HydrophobicContact CD2-CB 4.47Å; L43-F63 HydrophobicContact CD2-CG 4.47Å; L43-E66 HydrophobicContact CB-CG 4.14Å; L43-E66 HydrophobicContact CD2-CB 4.15Å; L43-E66 HydrophobicContact CD2-CG 3.8Å; L43-I68 HydrophobicContact CD2-CD1 3.73Å; L43-I68 HydrophobicContact CD2-CG1 4.17Å; L43-I68 HydrophobicContact CD2-CG2 4.07Å |
| 44 | Q | 92.7 | Very high | 89.9 | Confident | 85 Ų | 85 | 96.8 Ų | 96.8 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.5 | -62.7 | -62.7 | -44.8 | 0 | 0 | 110.7 | D42 A47 S48 | D42-Q44 VanDerWaalsContact C-N 3.31Å; D42-Q44 PolarHBondContact O-N 3.44Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.12Å; D42-Q44 VanDerWaalsContact OD1-CB 3.31Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.3Å; D42-Q44 PolarHBondContact OD1-N 3.07Å; Q44-A47 PolarHBondContact O-N 3.09Å; Q44-S48 WeakPolarHBondContact O-CB 3.48Å; Q44-S48 PolarHBondContact O-N 3.26Å |
| 45 | F | 92.2 | Very high | 90 | Very high | 101 Ų | 101 | 96 Ų | 96 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 172.3 | 171.9 | -93.2 | 0 | 0 | 0 | 111.7 | D42 S48 | D42-F45 HydrophobicContact CB-CB 3.8Å; D42-F45 WeakPolarHBondContact O-CB 3.32Å; D42-F45 PolarHBondContact O-N 3.01Å; D42-F45 PolarHBondContact OD1-N 2.59Å; D42-F45 WeakPolarHBondContact OD2-CB 3.39Å; F45-S48 WeakPolarHBondContact O-CB 3.42Å; F45-S48 PolarHBondContact O-N 2.97Å; F45-S48 PolarHBondContact O-OG 3.19Å |
| 46 | L | 93.3 | Very high | 90.1 | Very high | 59 Ų | 59 | 100.3 Ų | 100.3 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 178 | -68.5 | 177.3 | 0 | 0 | 0 | 112 | L41 D42 L43 S48 R49 F63 | L41-L46 HydrophobicContact CB-CD1 4.09Å; L41-L46 HydrophobicContact CD1-CD1 4.36Å; D42-L46 WeakPolarHBondContact O-CG 3.47Å; D42-L46 PolarHBondContact O-N 3.17Å; L43-L46 PolarHBondContact O-N 3.4Å; L46-S48 PolarHBondContact O-N 3.25Å; L46-R49 VanDerWaalsContact O-CB 3.32Å; L46-R49 WeakPolarHBondContact O-CB 3.43Å; L46-R49 PolarHBondContact O-N 2.91Å; L46-F63 HydrophobicContact CD1-CE1 4.4Å; L46-F63 HydrophobicContact CD1-CZ 3.73Å |
| 47 | A | 94 | Very high | 90.5 | Very high | 6 Ų | 6 | 98.2 Ų | 98.2 | 5% | 0.05 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.1 | -32.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L43 Q44 R49 M50 I58 M126 | L43-A47 WeakPolarHBondContact O-CB 3.4Å; L43-A47 PolarHBondContact O-N 2.95Å; Q44-A47 PolarHBondContact O-N 3.09Å; A47-R49 PolarHBondContact O-N 2.87Å; A47-M50 WeakPolarHBondContact O-CB 3.43Å; A47-M50 PolarHBondContact O-N 2.87Å; A47-M50 VanDerWaalsContact O-N 3.09Å; A47-I58 HydrophobicContact CB-CD1 3.9Å; A47-M126 HydrophobicContact CB-CE 3.35Å; A47-M126 HydrophobicContact CB-SD 3.74Å |
| 48 | S | 93.5 | Very high | 90.9 | Very high | 72 Ų | 72 | 91.9 Ų | 91.9 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.6 | 176 | 84.1 | 0 | 0 | 0 | 0 | 114.2 | Q44 F45 L46 M50 | Q44-S48 WeakPolarHBondContact O-CB 3.48Å; Q44-S48 PolarHBondContact O-N 3.26Å; F45-S48 WeakPolarHBondContact O-CB 3.42Å; F45-S48 PolarHBondContact O-N 2.97Å; F45-S48 PolarHBondContact O-OG 3.19Å; L46-S48 PolarHBondContact O-N 3.25Å; S48-M50 VanDerWaalsContact C-N 3.26Å |
| 49 | R | 94.2 | Very high | 91.7 | Very high | 173 Ų | 173 | 93 Ų | 93 | 65% | 0.653 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.8 | 175.8 | -55.6 | -65.7 | 146 | -161 | -4.9 | 112.9 | L46 A47 | L46-R49 VanDerWaalsContact O-CB 3.32Å; L46-R49 WeakPolarHBondContact O-CB 3.43Å; L46-R49 PolarHBondContact O-N 2.91Å; A47-R49 PolarHBondContact O-N 2.87Å |
| 50 | M | 95.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 85.6 Ų | 85.6 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -88.6 | 146.6 | 179 | -60.4 | -167.2 | 176.6 | 0 | 0 | 112 | A47 S48 T52 L55 I58 | A47-M50 WeakPolarHBondContact O-CB 3.43Å; A47-M50 PolarHBondContact O-N 2.87Å; A47-M50 VanDerWaalsContact O-N 3.09Å; S48-M50 VanDerWaalsContact C-N 3.26Å; M50-T52 VanDerWaalsContact C-N 3.32Å; M50-T52 PolarHBondContact O-N 3.02Å; M50-L55 HydrophobicContact CB-CD1 3.65Å; M50-L55 HydrophobicContact CG-CD1 4.34Å; M50-L55 HydrophobicContact SD-CD1 3.87Å; M50-I58 HydrophobicContact CE-CG2 4.13Å; M50-I58 HydrophobicContact SD-CB 4.45Å; M50-I58 HydrophobicContact SD-CD1 3.85Å; M50-I58 HydrophobicContact SD-CG1 3.83Å; M50-I58 HydrophobicContact SD-CG2 3.87Å |
| 51 | D | 94.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 87.6 Ų | 87.6 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | trans | -77.1 | 85.3 | 173.2 | -175.3 | -3 | 0 | 0 | 0 | 110.4 | S53 K54 | D51-S53 PolarHBondContact O-N 3.46Å; D51-S53 VanDerWaalsContact O-N 3.07Å; D51-S53 WeakPolarHBondContact OD1-CB 3.26Å; D51-S53 PolarHBondContact OD1-N 2.6Å; D51-S53 PolarHBondContact OD1-OG 3.33Å; D51-K54 PolarHBondContact O-N 2.97Å; D51-K54 VanDerWaalsContact OD2-CD 3.3Å; D51-K54 WeakPolarHBondContact OD2-CD 3.31Å; D51-K54 WeakPolarHBondContact OD2-CE 3.26Å; D51-K54 IonicContact OD2-NZ 2.75Å; D51-K54 PolarHBondContact OD2-NZ 3.38Å | ||
| 52 | T | 91.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 86.6 Ų | 86.6 | 37% | 0.368 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11.4 | -178.5 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | M50 K54 P128 | M50-T52 VanDerWaalsContact C-N 3.32Å; M50-T52 PolarHBondContact O-N 3.02Å; T52-K54 PolarHBondContact O-N 3.24Å; T52-P128 HydrophobicContact CG2-CB 3.61Å; T52-P128 HydrophobicContact CG2-CG 3.58Å |
| 53 | S | 94.8 | Very high | 92.8 | Very high | 102 Ų | 102 | 85.7 Ų | 85.7 | 71% | 0.713 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -14.8 | 172.1 | 76.4 | 0 | 0 | 0 | 0 | 113.1 | D51 | D51-S53 PolarHBondContact O-N 3.46Å; D51-S53 VanDerWaalsContact O-N 3.07Å; D51-S53 WeakPolarHBondContact OD1-CB 3.26Å; D51-S53 PolarHBondContact OD1-N 2.6Å; D51-S53 PolarHBondContact OD1-OG 3.33Å |
| 54 | K | 94.1 | Very high | 92.6 | Very high | 160 Ų | 160 | 93.1 Ų | 93.1 | 70% | 0.696 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -112.8 | -0.4 | -179.1 | -62.8 | 179.4 | -176.3 | 139.5 | 0 | 113.7 | D51 T52 | D51-K54 PolarHBondContact O-N 2.97Å; D51-K54 VanDerWaalsContact OD2-CD 3.3Å; D51-K54 WeakPolarHBondContact OD2-CD 3.31Å; D51-K54 WeakPolarHBondContact OD2-CE 3.26Å; D51-K54 IonicContact OD2-NZ 2.75Å; D51-K54 PolarHBondContact OD2-NZ 3.38Å; T52-K54 PolarHBondContact O-N 3.24Å |
| 55 | L | 94.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 97.2 Ų | 97.2 | 33% | 0.325 | 50% | 0.498 | S | S | . | . | trans | -118.1 | 126.9 | -173.4 | -60.5 | 177.6 | 0 | 0 | 0 | 110.4 | M50 I58 | M50-L55 HydrophobicContact CB-CD1 3.65Å; M50-L55 HydrophobicContact CG-CD1 4.34Å; M50-L55 HydrophobicContact SD-CD1 3.87Å; L55-I58 HydrophobicContact CD1-CG1 4.18Å | ||
| 56 | D | 93.5 | Very high | 92.4 | Very high | 153 Ų | 153 | 94.7 Ų | 94.7 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -85.8 | -25.2 | 167.6 | -63.2 | -63.7 | 0 | 0 | 0 | 111.9 | V125 | D56-V125 WeakPolarHBondContact O-CG1 3Š|
| 57 | L | 91.4 | Very high | 92.3 | Very high | 66 Ų | 66 | 98 Ų | 98 | 35% | 0.346 | 50% | 0.502 | S | S | . | . | trans | -149.3 | 143.7 | -175.9 | 176.7 | 62.9 | 0 | 0 | 0 | 111.3 | L59 V125 | L57-L59 HydrophobicContact CD2-CD2 3.58Å; L57-L59 HydrophobicContact CD2-CG 4.17Å; L57-L59 HydrophobicContact CG-CD2 4.04Å; L57-L59 HydrophobicContact CG-CG 4.36Å; L57-V125 HydrophobicContact CB-CG1 4.25Å; L57-V125 HydrophobicContact CD1-CB 3.94Å; L57-V125 HydrophobicContact CD1-CG1 3.7Å; L57-V125 HydrophobicContact CD1-CG2 4Å | ||
| 58 | I | 93.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 99.5 Ų | 99.5 | 10% | 0.103 | 51% | 0.508 | C | S | . | . | trans | -110 | 123.4 | 165 | -60.2 | 176 | 0 | 0 | 0 | 107.2 | A47 M50 L55 V60 | A47-I58 HydrophobicContact CB-CD1 3.9Å; M50-I58 HydrophobicContact CE-CG2 4.13Å; M50-I58 HydrophobicContact SD-CB 4.45Å; M50-I58 HydrophobicContact SD-CD1 3.85Å; M50-I58 HydrophobicContact SD-CG1 3.83Å; M50-I58 HydrophobicContact SD-CG2 3.87Å; L55-I58 HydrophobicContact CD1-CG1 4.18Å; I58-V60 HydrophobicContact CG2-CG2 4.08Å | ||
| 59 | L | 93.5 | Very high | 92.4 | Very high | 149 Ų | 149 | 98 Ų | 98 | 78% | 0.78 | 50% | 0.5 | S | S | * | . | trans | -93.2 | 129.5 | 172.3 | -65.8 | 177.1 | 0 | 0 | 0 | 108.9 | L57 | L57-L59 HydrophobicContact CD2-CD2 3.58Å; L57-L59 HydrophobicContact CD2-CG 4.17Å; L57-L59 HydrophobicContact CG-CD2 4.04Å; L57-L59 HydrophobicContact CG-CG 4.36Å | ||
| 60 | V | 93.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 91.2 Ų | 91.2 | 30% | 0.297 | 48% | 0.475 | S | S | . | . | trans | -119.7 | 122.7 | -178.9 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | L43 I58 F63 I68 | L43-V60 HydrophobicContact CD1-CG1 3.86Å; L43-V60 HydrophobicContact CD1-CG2 3.93Å; L43-V60 HydrophobicContact CD2-CG1 4.24Å; L43-V60 HydrophobicContact CD2-CG2 4.32Å; I58-V60 HydrophobicContact CG2-CG2 4.08Å; V60-F63 HydrophobicContact CG1-CB 4.01Å; V60-F63 HydrophobicContact CG1-CD2 3.42Å; V60-F63 VanDerWaalsContact CG1-CD2 3.42Å; V60-F63 HydrophobicContact CG1-CE2 4.19Å; V60-F63 HydrophobicContact CG1-CG 3.97Å; V60-I68 HydrophobicContact CB-CD1 4.23Å; V60-I68 HydrophobicContact CG2-CD1 4.21Å | ||
| 61 | E | 89.5 | Confident | 92.3 | Very high | 192 Ų | 192 | 89.9 Ų | 89.9 | 90% | 0.897 | 47% | 0.469 | S | S | * | . | trans | -100.9 | 134.3 | 170 | -173.1 | -179.4 | 171.9 | 0 | 0 | 108.7 | ||||
| 62 | G | 87.8 | Confident | 92.3 | Very high | 50 Ų | 50 | 87.7 Ų | 87.7 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 88.9 | -143.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K64 | G62-K64 PolarHBondContact O-N 3.29Å; G62-K64 VanDerWaalsContact O-N 3.13Å |
| 63 | F | 89.9 | Confident | 92.4 | Very high | 67 Ų | 67 | 90.7 Ų | 90.7 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | trans | 49.5 | 42 | 178.2 | -67.2 | -89.8 | 0 | 0 | 0 | 113.7 | L41 L43 L46 V60 H65 E66 | L41-F63 HydrophobicContact CB-CE1 4.06Å; L41-F63 HydrophobicContact CB-CZ 4.15Å; L41-F63 HydrophobicContact CD1-CZ 4.42Å; L43-F63 HydrophobicContact CB-CD1 4.03Å; L43-F63 HydrophobicContact CB-CE1 4.12Å; L43-F63 HydrophobicContact CD1-CD1 4.36Å; L43-F63 HydrophobicContact CD1-CD2 4.37Å; L43-F63 HydrophobicContact CD1-CE1 4.36Å; L43-F63 HydrophobicContact CD1-CE2 4.37Å; L43-F63 HydrophobicContact CD1-CG 4.37Å; L43-F63 HydrophobicContact CD1-CZ 4.37Å; L43-F63 HydrophobicContact CD2-CB 4.47Å; L43-F63 HydrophobicContact CD2-CG 4.47Å; L46-F63 HydrophobicContact CD1-CE1 4.4Å; L46-F63 HydrophobicContact CD1-CZ 3.73Å; V60-F63 HydrophobicContact CG1-CB 4.01Å; V60-F63 HydrophobicContact CG1-CD2 3.42Å; V60-F63 VanDerWaalsContact CG1-CD2 3.42Å; V60-F63 HydrophobicContact CG1-CE2 4.19Å; V60-F63 HydrophobicContact CG1-CG 3.97Å; F63-H65 PolarHBondContact O-N 3.12Å; F63-E66 HydrophobicContact CB-CB 4.25Å; F63-E66 HydrophobicContact CB-CG 3.69Å; F63-E66 HydrophobicContact CD1-CG 3.89Å; F63-E66 HydrophobicContact CG-CG 4.24Å; F63-E66 WeakPolarHBondContact O-CB 3.48Å; F63-E66 PolarHBondContact O-N 3.13Å | ||
| 64 | K | 87.3 | Confident | 92.4 | Very high | 165 Ų | 165 | 86 Ų | 86 | 72% | 0.717 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26.4 | -170.4 | -65.2 | -176.1 | -179.6 | -177.7 | 0 | 113.8 | G62 K70 | G62-K64 PolarHBondContact O-N 3.29Å; G62-K64 VanDerWaalsContact O-N 3.13Å; K64-K70 PolarHBondContact O-NZ 3.3Å |
| 65 | H | 88.6 | Confident | 92.4 | Very high | 171 Ų | 171 | 83.4 Ų | 83.4 | 79% | 0.792 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -10.1 | -177.5 | -58.5 | -59.8 | 0 | 0 | 0 | 114.1 | F63 | F63-H65 PolarHBondContact O-N 3.12Š|
| 66 | E | 91.5 | Very high | 92.4 | Very high | 47 Ų | 47 | 85.3 Ų | 85.3 | 22% | 0.22 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -62.5 | 145.7 | -178.3 | -78.1 | -67.6 | 159.8 | 0 | 0 | 112.3 | L43 F63 I68 K70 | L43-E66 HydrophobicContact CB-CG 4.14Å; L43-E66 HydrophobicContact CD2-CB 4.15Å; L43-E66 HydrophobicContact CD2-CG 3.8Å; F63-E66 HydrophobicContact CB-CB 4.25Å; F63-E66 HydrophobicContact CB-CG 3.69Å; F63-E66 HydrophobicContact CD1-CG 3.89Å; F63-E66 HydrophobicContact CG-CG 4.24Å; F63-E66 WeakPolarHBondContact O-CB 3.48Å; F63-E66 PolarHBondContact O-N 3.13Å; E66-I68 HydrophobicContact CB-CG1 3.96Å; E66-I68 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact O-CE 3.31Å; E66-K70 PolarHBondContact O-NZ 3.43Å |
| 67 | E | 93.2 | Very high | 92.4 | Very high | 130 Ų | 130 | 81.5 Ų | 81.5 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -83.8 | 34.2 | 177.8 | -58.6 | -155.9 | 137.8 | 0 | 0 | 112.4 | R89 H90 | E67-R89 IonicContact OE1-CZ 3.82Å; E67-R89 IonicContact OE1-NH2 2.82Å; E67-R89 PolarHBondContact OE1-NH2 3.2Å; E67-R89 IonicContact OE2-NH2 2.72Å; E67-H90 IonicContact OE1-CE1 3.81Å |
| 68 | I | 94.1 | Very high | 92.4 | Very high | 37 Ų | 37 | 81.3 Ų | 81.3 | 19% | 0.19 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -96.2 | 157.1 | 169.3 | 63.2 | 156.9 | 0 | 0 | 0 | 109 | L43 V60 E66 K70 H90 | L43-I68 HydrophobicContact CD2-CD1 3.73Å; L43-I68 HydrophobicContact CD2-CG1 4.17Å; L43-I68 HydrophobicContact CD2-CG2 4.07Å; V60-I68 HydrophobicContact CB-CD1 4.23Å; V60-I68 HydrophobicContact CG2-CD1 4.21Å; E66-I68 HydrophobicContact CB-CG1 3.96Å; E66-I68 PolarHBondContact O-N 2.88Å; I68-K70 VanDerWaalsContact O-CE 3.24Å; I68-K70 WeakPolarHBondContact O-CE 3.42Å; I68-K70 WeakPolarHBondContact O-CG 3.42Å; I68-H90 WeakPolarHBondContact O-CB 3.33Å |
| 69 | A | 94.4 | Very high | 92.3 | Very high | 40 Ų | 40 | 83.7 Ų | 83.7 | 33% | 0.331 | 47% | 0.469 | S | S | . | . | trans | -79.9 | 141.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | H90 I92 P124 | A69-H90 CarbonylContact C-O 3.49Å; A69-H90 WeakPolarHBondContact CA-O 3.01Å; A69-I92 HydrophobicContact CB-CG2 4Å; A69-P124 VanDerWaalsContact C-CG 3.42Å; A69-P124 HydrophobicContact CB-CB 3.12Å; A69-P124 HydrophobicContact CB-CG 3.08Å | ||
| 70 | K | 94.3 | Very high | 92 | Very high | 30 Ų | 30 | 82.4 Ų | 82.4 | 13% | 0.13 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.2 | -158.3 | -46 | 177.8 | -174.2 | 164.4 | 0 | 111.7 | K64 E66 I68 D88 H90 V91 I92 | K64-K70 PolarHBondContact O-NZ 3.3Å; E66-K70 WeakPolarHBondContact O-CE 3.31Å; E66-K70 PolarHBondContact O-NZ 3.43Å; I68-K70 VanDerWaalsContact O-CE 3.24Å; I68-K70 WeakPolarHBondContact O-CE 3.42Å; I68-K70 WeakPolarHBondContact O-CG 3.42Å; K70-D88 IonicContact NZ-OD1 2.88Å; K70-D88 IonicContact NZ-OD2 3.58Å; K70-D88 PolarHBondContact NZ-OD2 3.01Å; K70-H90 HydrophobicContact CG-CB 4.5Å; K70-H90 PolarHBondContact N-O 3.31Å; K70-V91 HydrophobicContact CB-CG2 4.22Å; K70-V91 HydrophobicContact CD-CG2 4.4Å; K70-I92 PolarHBondContact O-N 3.19Å |
| 71 | I | 93.7 | Very high | 91.9 | Very high | 63 Ų | 63 | 87.4 Ų | 87.4 | 32% | 0.323 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119 | 160 | -59.2 | -179.7 | 0 | 0 | 0 | 106.8 | L73 A93 A95 L107 T123 | I71-L73 HydrophobicContact CG2-CD2 4.13Å; I71-A93 WeakPolarHBondContact CA-O 3.36Å; I71-A93 HydrophobicContact CG1-CB 4.38Å; I71-A95 HydrophobicContact CG2-CB 3.94Å; I71-L107 HydrophobicContact CD1-CD1 4.39Å; I71-T123 HydrophobicContact CD1-CG2 3.86Å |
| 72 | V | 93.5 | Very high | 91.9 | Very high | 29 Ų | 29 | 80.7 Ų | 80.7 | 18% | 0.176 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.8 | 173.4 | 173.7 | 0 | 0 | 0 | 0 | 108.4 | L85 V91 A93 V94 A95 | V72-L85 HydrophobicContact CG1-CD2 3.82Å; V72-V91 HydrophobicContact CB-CG1 4.4Å; V72-V91 HydrophobicContact CG2-CB 4.41Å; V72-V91 HydrophobicContact CG2-CG1 3.77Å; V72-V91 HydrophobicContact CG2-CG2 3.68Å; V72-A93 PolarHBondContact N-O 3.11Å; V72-A93 VanDerWaalsContact N-O 3.08Å; V72-V94 HydrophobicContact CB-CG2 4.17Å; V72-V94 CarbonylContact O-C 3.56Å; V72-V94 VanDerWaalsContact O-CA 3.28Å; V72-V94 WeakPolarHBondContact O-CA 3.41Å; V72-A95 PolarHBondContact O-N 3.24Å |
| 73 | L | 93.8 | Very high | 92 | Very high | 122 Ų | 122 | 85.3 Ų | 85.3 | 64% | 0.639 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.8 | 176.7 | -52.9 | -176.3 | 0 | 0 | 0 | 109.1 | I71 A95 I109 | I71-L73 HydrophobicContact CG2-CD2 4.13Å; L73-A95 WeakPolarHBondContact CA-O 3.44Å; L73-A95 HydrophobicContact CD2-CB 3.78Å; L73-I109 HydrophobicContact CB-CD1 4.31Å; L73-I109 HydrophobicContact CD2-CD1 4.42Å |
| 74 | F | 94.4 | Very high | 92 | Very high | 4 Ų | 4 | 86.1 Ų | 86.1 | 2% | 0.018 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123.1 | 173.5 | -177.1 | -104.9 | 0 | 0 | 0 | 110.7 | H80 P82 L85 V94 A95 S96 V98 L100 | F74-H80 HydrophobicContact CE2-CB 4.4Å; F74-H80 WeakPolarHBondContact CE2-O 3.33Å; F74-P82 HydrophobicContact CE1-CG 3.81Å; F74-P82 HydrophobicContact CE2-CG 4.37Å; F74-P82 HydrophobicContact CZ-CB 4.3Å; F74-P82 HydrophobicContact CZ-CG 3.56Å; F74-L85 HydrophobicContact CB-CD1 3.92Å; F74-L85 HydrophobicContact CB-CD2 4.04Å; F74-L85 HydrophobicContact CD2-CD1 3.97Å; F74-L85 HydrophobicContact CD2-CD2 3.7Å; F74-L85 HydrophobicContact CD2-CG 3.99Å; F74-L85 HydrophobicContact CG-CD1 3.87Å; F74-L85 HydrophobicContact CG-CD2 4.18Å; F74-L85 HydrophobicContact CG-CG 4.39Å; F74-V94 HydrophobicContact CB-CG1 4.3Å; F74-A95 PolarHBondContact N-O 2.82Å; F74-S96 WeakPolarHBondContact CD1-OG 3.24Å; F74-S96 WeakPolarHBondContact O-CA 3.1Å; F74-S96 WeakPolarHBondContact O-CB 3.49Å; F74-S96 PolarHBondContact O-OG 3.07Å; F74-V98 HydrophobicContact CD1-CG2 3.87Å; F74-V98 HydrophobicContact CE1-CG2 3.59Å; F74-L100 HydrophobicContact CB-CD1 4.18Å; F74-L100 HydrophobicContact CD1-CD1 3.88Å; F74-L100 HydrophobicContact CD1-CD2 4.13Å; F74-L100 HydrophobicContact CD1-CG 4.44Å; F74-L100 HydrophobicContact CE1-CD2 4.23Å; F74-L100 HydrophobicContact CG-CD1 4.23Å |
| 75 | R | 94.9 | Very high | 92.1 | Very high | 105 Ų | 105 | 80 Ų | 80 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | trans | -121.1 | 125.2 | 173.9 | -174.6 | 170.5 | -67.5 | -80.3 | 8.3 | 109.5 | A78 D97 N110 | R75-A78 HydrophobicContact CB-CB 4Å; R75-A78 VanDerWaalsContact O-CB 3.26Å; R75-A78 WeakPolarHBondContact O-CB 3.4Å; R75-A78 PolarHBondContact O-N 3.13Å; R75-D97 VanDerWaalsContact CA-OD1 3.31Å; R75-D97 WeakPolarHBondContact CA-OD1 3.28Å; R75-D97 VanDerWaalsContact CG-OD2 3.26Å; R75-D97 WeakPolarHBondContact CG-OD2 2.83Å; R75-D97 IonicContact CZ-OD2 2.76Å; R75-D97 IonicContact NH1-OD2 3.85Å; R75-D97 PolarHBondContact NH1-OD2 2.93Å; R75-N110 PolarHBondContact NH2-OD1 3.08Å; R75-N110 VanDerWaalsContact NH2-OD1 3.12Å | ||
| 76 | D | 94.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 77.3 Ų | 77.3 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 141 | 175.3 | -171.8 | 38.2 | 0 | 0 | 0 | 110.6 | A78 D97 V98 | D76-A78 VanDerWaalsContact C-N 3.26Å; D76-A78 PolarHBondContact O-N 3.21Å; D76-D97 PolarHBondContact N-OD1 3.15Å; D76-V98 HydrophobicContact CB-CG1 3.6Å; D76-V98 HydrophobicContact CB-CG2 4.25Å |
| 77 | G | 93.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 78.1 Ų | 78.1 | 74% | 0.742 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 1.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G79 | G77-G79 PolarHBondContact O-N 3.09Š|
| 78 | A | 92 | Very high | 92.2 | Very high | 63 Ų | 63 | 74.4 Ų | 74.4 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -80 | 11.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | R75 D76 | R75-A78 HydrophobicContact CB-CB 4Å; R75-A78 VanDerWaalsContact O-CB 3.26Å; R75-A78 WeakPolarHBondContact O-CB 3.4Å; R75-A78 PolarHBondContact O-N 3.13Å; D76-A78 VanDerWaalsContact C-N 3.26Å; D76-A78 PolarHBondContact O-N 3.21Å |
| 79 | G | 90 | Very high | 92.2 | Very high | 70 Ų | 70 | 81.8 Ų | 81.8 | 72% | 0.722 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 90 | 2.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | G77 | G77-G79 PolarHBondContact O-N 3.09Š|
| 80 | H | 88.6 | Confident | 92.2 | Very high | 122 Ų | 122 | 81.6 Ų | 81.6 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | trans | -116 | 145 | 172.9 | -64.3 | -60.1 | 0 | 0 | 0 | 110.1 | F74 E84 | F74-H80 HydrophobicContact CE2-CB 4.4Å; F74-H80 WeakPolarHBondContact CE2-O 3.33Å; H80-E84 IonicContact ND1-OE2 3.86Å | ||
| 81 | R | 90.7 | Very high | 92.3 | Very high | 153 Ų | 153 | 80.5 Ų | 80.5 | 58% | 0.577 | 43% | 0.432 | S | S | * | . | trans | -94.2 | 151.3 | 174 | -61.6 | 179 | -69.8 | 164.1 | 4.2 | 111 | E83 E84 | R81-E83 VanDerWaalsContact CB-OE2 3.23Å; R81-E83 WeakPolarHBondContact CB-OE2 3.36Å; R81-E83 PolarHBondContact O-N 2.79Å; R81-E83 VanDerWaalsContact O-N 3.11Å; R81-E84 HydrophobicContact CB-CG 4.32Å; R81-E84 IonicContact CZ-OE1 3.74Å; R81-E84 VanDerWaalsContact CZ-OE1 3.28Å; R81-E84 PolarHBondContact N-OE2 2.89Å; R81-E84 IonicContact NE-OE1 3.54Å; R81-E84 PolarHBondContact NE-OE1 3.32Å; R81-E84 IonicContact NH2-OE1 3.17Å; R81-E84 PolarHBondContact NH2-OE1 2.83Å; R81-E84 WeakPolarHBondContact O-CB 3.17Å; R81-E84 PolarHBondContact O-N 3.17Å | ||
| 82 | P | 89.1 | Confident | 92.3 | Very high | 51 Ų | 51 | 80.3 Ų | 80.3 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -52.4 | -34.2 | 177.3 | -28.1 | 36.2 | 0 | 0 | 0 | 113.9 | F74 E84 L85 L100 | F74-P82 HydrophobicContact CE1-CG 3.81Å; F74-P82 HydrophobicContact CE2-CG 4.37Å; F74-P82 HydrophobicContact CZ-CB 4.3Å; F74-P82 HydrophobicContact CZ-CG 3.56Å; P82-E84 PolarHBondContact O-N 2.83Å; P82-L85 WeakPolarHBondContact O-CB 3.48Å; P82-L85 WeakPolarHBondContact O-CG 3.33Å; P82-L85 PolarHBondContact O-N 2.99Å; P82-L100 HydrophobicContact CB-CD2 3.81Å; P82-L100 HydrophobicContact CG-CD2 4.07Å |
| 83 | E | 89.6 | Confident | 92.4 | Very high | 147 Ų | 147 | 79.1 Ų | 79.1 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -71.7 | -12.6 | -179.1 | -52.6 | 76.7 | -157.6 | 0 | 0 | 113.3 | R81 | R81-E83 VanDerWaalsContact CB-OE2 3.23Å; R81-E83 WeakPolarHBondContact CB-OE2 3.36Å; R81-E83 PolarHBondContact O-N 2.79Å; R81-E83 VanDerWaalsContact O-N 3.11Å |
| 84 | E | 89.5 | Confident | 92.5 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 40% | 0.397 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -91 | -4.2 | 178.2 | -62.6 | 167.3 | -173 | 0 | 0 | 112.1 | H80 R81 P82 V86 | H80-E84 IonicContact ND1-OE2 3.86Å; R81-E84 HydrophobicContact CB-CG 4.32Å; R81-E84 IonicContact CZ-OE1 3.74Å; R81-E84 VanDerWaalsContact CZ-OE1 3.28Å; R81-E84 PolarHBondContact N-OE2 2.89Å; R81-E84 IonicContact NE-OE1 3.54Å; R81-E84 PolarHBondContact NE-OE1 3.32Å; R81-E84 IonicContact NH2-OE1 3.17Å; R81-E84 PolarHBondContact NH2-OE1 2.83Å; R81-E84 WeakPolarHBondContact O-CB 3.17Å; R81-E84 PolarHBondContact O-N 3.17Å; P82-E84 PolarHBondContact O-N 2.83Å; E84-V86 PolarHBondContact O-N 2.82Å |
| 85 | L | 89.7 | Confident | 92.5 | Very high | 35 Ų | 35 | 73.5 Ų | 73.5 | 18% | 0.183 | 40% | 0.396 | C | S | . | . | trans | -66.3 | 119 | 177.8 | -69.7 | 179.1 | 0 | 0 | 0 | 111.1 | V72 F74 P82 I87 V94 L100 | V72-L85 HydrophobicContact CG1-CD2 3.82Å; F74-L85 HydrophobicContact CB-CD1 3.92Å; F74-L85 HydrophobicContact CB-CD2 4.04Å; F74-L85 HydrophobicContact CD2-CD1 3.97Å; F74-L85 HydrophobicContact CD2-CD2 3.7Å; F74-L85 HydrophobicContact CD2-CG 3.99Å; F74-L85 HydrophobicContact CG-CD1 3.87Å; F74-L85 HydrophobicContact CG-CD2 4.18Å; F74-L85 HydrophobicContact CG-CG 4.39Å; P82-L85 WeakPolarHBondContact O-CB 3.48Å; P82-L85 WeakPolarHBondContact O-CG 3.33Å; P82-L85 PolarHBondContact O-N 2.99Å; L85-I87 PolarHBondContact O-N 3.02Å; L85-V94 HydrophobicContact CD1-CG1 4.49Å; L85-L100 HydrophobicContact CD1-CD1 3.75Å | ||
| 86 | V | 89.4 | Confident | 92.6 | Very high | 115 Ų | 115 | 68.8 Ų | 68.8 | 70% | 0.697 | 38% | 0.379 | S | S | * | . | trans | -87.7 | 107.8 | 172.9 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | E84 | E84-V86 PolarHBondContact O-N 2.82Š| ||
| 87 | I | 92.1 | Very high | 92.6 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 33% | 0.333 | 37% | 0.367 | S | S | . | . | trans | -107.6 | 92.9 | 176.3 | -57 | 178.7 | 0 | 0 | 0 | 108 | L85 V91 V94 L102 V104 | L85-I87 PolarHBondContact O-N 3.02Å; I87-V91 HydrophobicContact CG2-CB 3.91Å; I87-V91 HydrophobicContact CG2-CG1 3.98Å; I87-V94 HydrophobicContact CD1-CG2 4.02Å; I87-V94 HydrophobicContact CG1-CG2 4.43Å; I87-L102 HydrophobicContact CD1-CB 4.5Å; I87-L102 HydrophobicContact CD1-CD1 4.03Å; I87-L102 HydrophobicContact CD1-CD2 3.48Å; I87-L102 VanDerWaalsContact CD1-CD2 3.48Å; I87-L102 HydrophobicContact CD1-CG 4.21Å; I87-V104 HydrophobicContact CD1-CG2 4.44Å; I87-V104 HydrophobicContact CG2-CG1 4.12Å; I87-V104 HydrophobicContact CG2-CG2 4.2Å | ||
| 88 | D | 93.5 | Very high | 92.7 | Very high | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | trans | -84.7 | 173.2 | 174.9 | 75.5 | 49.4 | 0 | 0 | 0 | 112 | K70 H90 V91 | K70-D88 IonicContact NZ-OD1 2.88Å; K70-D88 IonicContact NZ-OD2 3.58Å; K70-D88 PolarHBondContact NZ-OD2 3.01Å; D88-H90 PolarHBondContact O-N 2.96Å; D88-H90 WeakPolarHBondContact OD1-CA 3.38Å; D88-H90 VanDerWaalsContact OD1-CB 3.25Å; D88-H90 WeakPolarHBondContact OD1-CB 3.23Å; D88-H90 IonicContact OD1-CG 2.85Å; D88-H90 PolarHBondContact OD1-N 3Å; D88-H90 IonicContact OD1-ND1 3.28Å; D88-H90 PolarHBondContact OD1-ND1 3.23Å; D88-H90 VanDerWaalsContact OD1-ND1 3.17Å; D88-V91 WeakPolarHBondContact O-CB 3.49Å; D88-V91 PolarHBondContact O-N 2.77Å; D88-V91 PolarHBondContact OD1-N 3.22Å | ||
| 89 | R | 94.9 | Very high | 92.8 | Very high | 193 Ų | 193 | 67.8 Ų | 67.8 | 73% | 0.728 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -16.5 | -177.6 | 69.5 | 177.7 | -179.6 | 177.4 | -5.5 | 115.3 | E67 | E67-R89 IonicContact OE1-CZ 3.82Å; E67-R89 IonicContact OE1-NH2 2.82Å; E67-R89 PolarHBondContact OE1-NH2 3.2Å; E67-R89 IonicContact OE2-NH2 2.72Å |
| 90 | H | 95.4 | Very high | 93 | Very high | 36 Ų | 36 | 65.8 Ų | 65.8 | 17% | 0.167 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -11.9 | 179 | -43.9 | 101.8 | 0 | 0 | 0 | 112 | E67 I68 A69 K70 D88 I92 | E67-H90 IonicContact OE1-CE1 3.81Å; I68-H90 WeakPolarHBondContact O-CB 3.33Å; A69-H90 CarbonylContact C-O 3.49Å; A69-H90 WeakPolarHBondContact CA-O 3.01Å; K70-H90 HydrophobicContact CG-CB 4.5Å; K70-H90 PolarHBondContact N-O 3.31Å; D88-H90 PolarHBondContact O-N 2.96Å; D88-H90 WeakPolarHBondContact OD1-CA 3.38Å; D88-H90 VanDerWaalsContact OD1-CB 3.25Å; D88-H90 WeakPolarHBondContact OD1-CB 3.23Å; D88-H90 IonicContact OD1-CG 2.85Å; D88-H90 PolarHBondContact OD1-N 3Å; D88-H90 IonicContact OD1-ND1 3.28Å; D88-H90 PolarHBondContact OD1-ND1 3.23Å; D88-H90 VanDerWaalsContact OD1-ND1 3.17Å; H90-I92 PolarHBondContact O-N 2.95Å |
| 91 | V | 95.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 115.2 | 171.9 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | K70 V72 I87 D88 A93 V94 V104 | K70-V91 HydrophobicContact CB-CG2 4.22Å; K70-V91 HydrophobicContact CD-CG2 4.4Å; V72-V91 HydrophobicContact CB-CG1 4.4Å; V72-V91 HydrophobicContact CG2-CB 4.41Å; V72-V91 HydrophobicContact CG2-CG1 3.77Å; V72-V91 HydrophobicContact CG2-CG2 3.68Å; I87-V91 HydrophobicContact CG2-CB 3.91Å; I87-V91 HydrophobicContact CG2-CG1 3.98Å; D88-V91 WeakPolarHBondContact O-CB 3.49Å; D88-V91 PolarHBondContact O-N 2.77Å; D88-V91 PolarHBondContact OD1-N 3.22Å; V91-A93 WeakPolarHBondContact CG1-O 3.39Å; V91-V94 HydrophobicContact CG1-CG2 4.38Å; V91-V104 HydrophobicContact CG1-CG2 4.48Å; V91-V104 WeakPolarHBondContact O-CG1 3.48Å |
| 92 | I | 95.2 | Very high | 93.3 | Very high | 59 Ų | 59 | 63 Ų | 63 | 30% | 0.303 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -19.2 | 179.8 | 72.7 | 149.1 | 0 | 0 | 0 | 112.8 | A69 K70 H90 R122 P124 | A69-I92 HydrophobicContact CB-CG2 4Å; K70-I92 PolarHBondContact O-N 3.19Å; H90-I92 PolarHBondContact O-N 2.95Å; I92-R122 WeakPolarHBondContact CD1-O 3.34Å; I92-P124 HydrophobicContact CB-CG 4.44Å; I92-P124 HydrophobicContact CD1-CB 3.91Å; I92-P124 HydrophobicContact CD1-CG 3.51Å; I92-P124 HydrophobicContact CG1-CB 4.4Å; I92-P124 HydrophobicContact CG1-CG 3.64Å; I92-P124 HydrophobicContact CG2-CB 4.17Å; I92-P124 HydrophobicContact CG2-CG 3.97Å |
| 93 | A | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 69 Ų | 69 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 155.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I71 V72 V91 A105 L107 | I71-A93 WeakPolarHBondContact CA-O 3.36Å; I71-A93 HydrophobicContact CG1-CB 4.38Å; V72-A93 PolarHBondContact N-O 3.11Å; V72-A93 VanDerWaalsContact N-O 3.08Å; V91-A93 WeakPolarHBondContact CG1-O 3.39Å; A93-A105 CarbonylContact C-O 3.47Å; A93-A105 WeakPolarHBondContact CA-O 3.16Å; A93-A105 HydrophobicContact CB-CB 4.11Å; A93-A105 WeakPolarHBondContact CB-O 3.41Å; A93-L107 HydrophobicContact CB-CD1 3.94Å; A93-L107 HydrophobicContact CB-CG 4.14Å |
| 94 | V | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128 | 166.1 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | V72 F74 L85 I87 V91 L100 L102 V104 A105 L106 L107 | V72-V94 HydrophobicContact CB-CG2 4.17Å; V72-V94 CarbonylContact O-C 3.56Å; V72-V94 VanDerWaalsContact O-CA 3.28Å; V72-V94 WeakPolarHBondContact O-CA 3.41Å; F74-V94 HydrophobicContact CB-CG1 4.3Å; L85-V94 HydrophobicContact CD1-CG1 4.49Å; I87-V94 HydrophobicContact CD1-CG2 4.02Å; I87-V94 HydrophobicContact CG1-CG2 4.43Å; V91-V94 HydrophobicContact CG1-CG2 4.38Å; V94-L100 HydrophobicContact CG1-CD1 3.92Å; V94-L102 HydrophobicContact CB-CD1 3.54Å; V94-L102 HydrophobicContact CG1-CD1 4Å; V94-L102 HydrophobicContact CG2-CD1 3.4Å; V94-V104 HydrophobicContact CG2-CG2 3.87Å; V94-A105 PolarHBondContact N-O 2.85Å; V94-L106 HydrophobicContact CB-CD1 4.35Å; V94-L106 HydrophobicContact CG1-CD1 4.44Å; V94-L106 CarbonylContact O-C 3.58Å; V94-L106 WeakPolarHBondContact O-CA 3.35Å; V94-L107 PolarHBondContact O-N 3.23Å |
| 95 | A | 95.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 121.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I71 V72 L73 F74 L107 I109 | I71-A95 HydrophobicContact CG2-CB 3.94Å; V72-A95 PolarHBondContact O-N 3.24Å; L73-A95 WeakPolarHBondContact CA-O 3.44Å; L73-A95 HydrophobicContact CD2-CB 3.78Å; F74-A95 PolarHBondContact N-O 2.82Å; A95-L107 CarbonylContact C-O 3.5Å; A95-L107 WeakPolarHBondContact CA-O 3.11Å; A95-L107 HydrophobicContact CB-CB 4.23Å; A95-I109 HydrophobicContact CB-CB 4.15Å; A95-I109 HydrophobicContact CB-CG1 4.18Å |
| 96 | S | 95.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155.6 | -177.4 | -167.7 | 0 | 0 | 0 | 0 | 114.3 | F74 V98 L107 D108 I109 | F74-S96 WeakPolarHBondContact CD1-OG 3.24Å; F74-S96 WeakPolarHBondContact O-CA 3.1Å; F74-S96 WeakPolarHBondContact O-CB 3.49Å; F74-S96 PolarHBondContact O-OG 3.07Å; S96-V98 WeakPolarHBondContact CB-O 3.22Å; S96-V98 PolarHBondContact OG-N 2.99Å; S96-V98 PolarHBondContact OG-O 3.08Å; S96-L107 PolarHBondContact N-O 3.38Å; S96-D108 WeakPolarHBondContact O-CA 3.37Å; S96-I109 VanDerWaalsContact C-CG2 3.5Å; S96-I109 PolarHBondContact O-N 2.81Å |
| 97 | D | 95.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 60 Ų | 60 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -94.6 | 0.6 | 169.3 | 64.2 | -15.9 | 0 | 0 | 0 | 113.7 | R75 D76 I109 | R75-D97 VanDerWaalsContact CA-OD1 3.31Å; R75-D97 WeakPolarHBondContact CA-OD1 3.28Å; R75-D97 VanDerWaalsContact CG-OD2 3.26Å; R75-D97 WeakPolarHBondContact CG-OD2 2.83Å; R75-D97 IonicContact CZ-OD2 2.76Å; R75-D97 IonicContact NH1-OD2 3.85Å; R75-D97 PolarHBondContact NH1-OD2 2.93Å; D76-D97 PolarHBondContact N-OD1 3.15Å; D97-I109 HydrophobicContact CB-CG2 3.7Å |
| 98 | V | 94.9 | Very high | 94.6 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 24% | 0.242 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -128 | 152.7 | 173.5 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | F74 D76 S96 L100 | F74-V98 HydrophobicContact CD1-CG2 3.87Å; F74-V98 HydrophobicContact CE1-CG2 3.59Å; D76-V98 HydrophobicContact CB-CG1 3.6Å; D76-V98 HydrophobicContact CB-CG2 4.25Å; S96-V98 WeakPolarHBondContact CB-O 3.22Å; S96-V98 PolarHBondContact OG-N 2.99Å; S96-V98 PolarHBondContact OG-O 3.08Å; V98-L100 HydrophobicContact CG2-CD2 4.11Å; V98-L100 HydrophobicContact CG2-CG 4.48Å; V98-L100 PolarHBondContact O-N 3.25Å |
| 99 | P | 94.5 | Very high | 94.6 | Very high | 121 Ų | 121 | 60.7 Ų | 60.7 | 79% | 0.786 | 33% | 0.326 | S | S | * | . | trans | -64.4 | 133.8 | 173 | 26.9 | -34.2 | 0 | 0 | 0 | 110.6 | ||||
| 100 | L | 94.5 | Very high | 94.4 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | trans | -127.7 | 139.5 | 176.4 | -60.9 | 176.5 | 0 | 0 | 0 | 109.4 | F74 P82 L85 V94 V98 L102 L106 | F74-L100 HydrophobicContact CB-CD1 4.18Å; F74-L100 HydrophobicContact CD1-CD1 3.88Å; F74-L100 HydrophobicContact CD1-CD2 4.13Å; F74-L100 HydrophobicContact CD1-CG 4.44Å; F74-L100 HydrophobicContact CE1-CD2 4.23Å; F74-L100 HydrophobicContact CG-CD1 4.23Å; P82-L100 HydrophobicContact CB-CD2 3.81Å; P82-L100 HydrophobicContact CG-CD2 4.07Å; L85-L100 HydrophobicContact CD1-CD1 3.75Å; V94-L100 HydrophobicContact CG1-CD1 3.92Å; V98-L100 HydrophobicContact CG2-CD2 4.11Å; V98-L100 HydrophobicContact CG2-CG 4.48Å; V98-L100 PolarHBondContact O-N 3.25Å; L100-L102 HydrophobicContact CB-CD1 3.78Å; L100-L102 HydrophobicContact CB-CD2 4.2Å; L100-L102 HydrophobicContact CB-CG 3.69Å; L100-L102 HydrophobicContact CD1-CD1 4Å; L100-L102 PolarHBondContact O-N 3.08Å; L100-L106 HydrophobicContact CB-CD1 4.2Å; L100-L106 HydrophobicContact CB-CD2 4.4Å; L100-L106 HydrophobicContact CD1-CD1 4.27Å; L100-L106 HydrophobicContact CG-CD1 4.43Å | ||
| 101 | N | 93.3 | Very high | 93.9 | Very high | 169 Ų | 169 | 56.4 Ų | 56.4 | 90% | 0.904 | 32% | 0.319 | S | S | * | . | trans | -89.5 | 94.8 | 175.7 | -174.4 | 39.9 | 0 | 0 | 0 | 109.8 | ||||
| 102 | L | 92.2 | Very high | 92.8 | Very high | 48 Ų | 48 | 62.1 Ų | 62.1 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | trans | -130.3 | 153.2 | -171.5 | -53.7 | 177.9 | 0 | 0 | 0 | 111.5 | I87 V94 L100 V104 L106 | I87-L102 HydrophobicContact CD1-CB 4.5Å; I87-L102 HydrophobicContact CD1-CD1 4.03Å; I87-L102 HydrophobicContact CD1-CD2 3.48Å; I87-L102 VanDerWaalsContact CD1-CD2 3.48Å; I87-L102 HydrophobicContact CD1-CG 4.21Å; V94-L102 HydrophobicContact CB-CD1 3.54Å; V94-L102 HydrophobicContact CG1-CD1 4Å; V94-L102 HydrophobicContact CG2-CD1 3.4Å; L100-L102 HydrophobicContact CB-CD1 3.78Å; L100-L102 HydrophobicContact CB-CD2 4.2Å; L100-L102 HydrophobicContact CB-CG 3.69Å; L100-L102 HydrophobicContact CD1-CD1 4Å; L100-L102 PolarHBondContact O-N 3.08Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 HydrophobicContact CB-CG2 4.22Å; L102-V104 HydrophobicContact CD1-CG2 4.43Å; L102-V104 PolarHBondContact O-N 3.32Å; L102-L106 HydrophobicContact CD1-CD1 4.38Å | ||
| 103 | D | 92.1 | Very high | 90.5 | Very high | 178 Ų | 178 | 64.4 Ų | 64.4 | 95% | 0.952 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -82.5 | -3.6 | 175.5 | -64.2 | -40.2 | 0 | 0 | 0 | 113.7 | ||
| 104 | V | 94 | Very high | 88.5 | Confident | 38 Ų | 38 | 68 Ų | 68 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -111.8 | 163.9 | 178.9 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | I87 V91 V94 L102 L106 | I87-V104 HydrophobicContact CD1-CG2 4.44Å; I87-V104 HydrophobicContact CG2-CG1 4.12Å; I87-V104 HydrophobicContact CG2-CG2 4.2Å; V91-V104 HydrophobicContact CG1-CG2 4.48Å; V91-V104 WeakPolarHBondContact O-CG1 3.48Å; V94-V104 HydrophobicContact CG2-CG2 3.87Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 HydrophobicContact CB-CG2 4.22Å; L102-V104 HydrophobicContact CD1-CG2 4.43Å; L102-V104 PolarHBondContact O-N 3.32Å; V104-L106 PolarHBondContact O-N 3.03Å |
| 105 | A | 95.1 | Very high | 86.2 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 129.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A93 V94 | A93-A105 CarbonylContact C-O 3.47Å; A93-A105 WeakPolarHBondContact CA-O 3.16Å; A93-A105 HydrophobicContact CB-CB 4.11Å; A93-A105 WeakPolarHBondContact CB-O 3.41Å; V94-A105 PolarHBondContact N-O 2.85Å |
| 106 | L | 96 | Very high | 83.5 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 38% | 0.377 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.4 | 172.4 | -175.6 | 65.1 | 0 | 0 | 0 | 109.3 | V94 L100 L102 V104 | V94-L106 HydrophobicContact CB-CD1 4.35Å; V94-L106 HydrophobicContact CG1-CD1 4.44Å; V94-L106 CarbonylContact O-C 3.58Å; V94-L106 WeakPolarHBondContact O-CA 3.35Å; L100-L106 HydrophobicContact CB-CD1 4.2Å; L100-L106 HydrophobicContact CB-CD2 4.4Å; L100-L106 HydrophobicContact CD1-CD1 4.27Å; L100-L106 HydrophobicContact CG-CD1 4.43Å; L102-L106 HydrophobicContact CD1-CD1 4.38Å; V104-L106 PolarHBondContact O-N 3.03Å |
| 107 | L | 95.4 | Very high | 80.6 | Confident | 29 Ų | 29 | 83.7 Ų | 83.7 | 15% | 0.152 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 142.8 | 177.9 | -48.2 | 179.2 | 0 | 0 | 0 | 109.1 | I71 A93 V94 A95 S96 I109 T121 | I71-L107 HydrophobicContact CD1-CD1 4.39Å; A93-L107 HydrophobicContact CB-CD1 3.94Å; A93-L107 HydrophobicContact CB-CG 4.14Å; V94-L107 PolarHBondContact O-N 3.23Å; A95-L107 CarbonylContact C-O 3.5Å; A95-L107 WeakPolarHBondContact CA-O 3.11Å; A95-L107 HydrophobicContact CB-CB 4.23Å; S96-L107 PolarHBondContact N-O 3.38Å; L107-I109 PolarHBondContact O-N 2.81Å; L107-T121 HydrophobicContact CD1-CG2 3.76Å; L107-T121 HydrophobicContact CD2-CG2 3.24Å; L107-T121 HydrophobicContact CG-CG2 4.14Å |
| 108 | D | 94.5 | Very high | 77.5 | Confident | 88 Ų | 88 | 84 Ų | 84 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 119 | 166.5 | 179.3 | -2.7 | 0 | 0 | 0 | 108.6 | S96 N110 D111 | S96-D108 WeakPolarHBondContact O-CA 3.37Å; D108-N110 PolarHBondContact O-N 2.79Å; D108-N110 PolarHBondContact OD1-N 3.41Å; D108-N110 PolarHBondContact OD1-ND2 2.85Å; D108-D111 HydrophobicContact CB-CB 3.95Å; D108-D111 WeakPolarHBondContact O-CB 3.36Å; D108-D111 PolarHBondContact O-N 2.95Å; D108-D111 VanDerWaalsContact O-N 3.13Å |
| 109 | I | 92.6 | Very high | 74.6 | Confident | 43 Ų | 43 | 85.9 Ų | 85.9 | 22% | 0.221 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.9 | 179.9 | -163.8 | 170.3 | 0 | 0 | 0 | 112.8 | L73 A95 S96 D97 L107 | L73-I109 HydrophobicContact CB-CD1 4.31Å; L73-I109 HydrophobicContact CD2-CD1 4.42Å; A95-I109 HydrophobicContact CB-CB 4.15Å; A95-I109 HydrophobicContact CB-CG1 4.18Å; S96-I109 VanDerWaalsContact C-CG2 3.5Å; S96-I109 PolarHBondContact O-N 2.81Å; D97-I109 HydrophobicContact CB-CG2 3.7Å; L107-I109 PolarHBondContact O-N 2.81Å |
| 110 | N | 90.6 | Very high | 71.5 | Confident | 81 Ų | 81 | 86.4 Ų | 86.4 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 2.2 | 179.2 | -45.2 | -71.9 | 0 | 0 | 0 | 112.5 | R75 D108 L112 | R75-N110 PolarHBondContact NH2-OD1 3.08Å; R75-N110 VanDerWaalsContact NH2-OD1 3.12Å; D108-N110 PolarHBondContact O-N 2.79Å; D108-N110 PolarHBondContact OD1-N 3.41Å; D108-N110 PolarHBondContact OD1-ND2 2.85Å; N110-L112 VanDerWaalsContact C-N 3.25Å; N110-L112 PolarHBondContact O-N 2.86Å |
| 111 | D | 86.4 | Confident | 68.4 | Low | 58 Ų | 58 | 87.2 Ų | 87.2 | 31% | 0.31 | 54% | 0.536 | S | S | . | . | trans | -73.5 | 81.7 | 173.5 | -172.8 | 28.4 | 0 | 0 | 0 | 109.9 | D108 M119 | D108-D111 HydrophobicContact CB-CB 3.95Å; D108-D111 WeakPolarHBondContact O-CB 3.36Å; D108-D111 PolarHBondContact O-N 2.95Å; D108-D111 VanDerWaalsContact O-N 3.13Å; D111-M119 HydrophobicContact CB-CE 3.79Å; D111-M119 WeakPolarHBondContact O-CE 3.48Å; D111-M119 WeakPolarHBondContact OD2-CE 3.14Å | ||
| 112 | L | 70.2 | Confident | 65.4 | Low | 126 Ų | 126 | 90 Ų | 90 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | trans | -86.2 | 132.6 | 176.6 | -66.9 | 174.1 | 0 | 0 | 0 | 109.9 | N110 G114 | N110-L112 VanDerWaalsContact C-N 3.25Å; N110-L112 PolarHBondContact O-N 2.86Å; L112-G114 PolarHBondContact O-N 3.05Å | ||
| 113 | P | 48.1 | Very low | 62.7 | Low | 107 Ų | 107 | 90 Ų | 90 | 70% | 0.695 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 107.6 | 174 | -17.7 | 29 | 0 | 0 | 0 | 110.6 | ||
| 114 | G | 53.5 | Low | 60.1 | Low | 79 Ų | 79 | 83.2 Ų | 83.2 | 81% | 0.814 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 168.6 | -28 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L112 | L112-G114 PolarHBondContact O-N 3.05Š|
| 115 | S | 46.5 | Very low | 57.8 | Low | 86 Ų | 86 | 83.8 Ų | 83.8 | 60% | 0.601 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -107.7 | 98.2 | 160.2 | 33.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 116 | A | 37.5 | Very low | 55.6 | Low | 94 Ų | 94 | 83.2 Ų | 83.2 | 78% | 0.777 | 49% | 0.493 | S | S | * | . | trans | 42.8 | 95.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | G118 | A116-G118 PolarHBondContact O-N 2.83Å; A116-G118 VanDerWaalsContact O-N 3.09Å | ||
| 117 | I | 35.4 | Very low | 53.5 | Low | 163 Ų | 163 | 89.4 Ų | 89.4 | 84% | 0.836 | 51% | 0.511 | S | S | * | . | trans | -42.6 | 109.4 | 172 | -63.6 | 164.8 | 0 | 0 | 0 | 112.3 | ||||
| 118 | G | 29.3 | Very low | 51 | Low | 62 Ų | 62 | 89.9 Ų | 89.9 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | trans | -136.3 | 13.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | A116 T120 | A116-G118 PolarHBondContact O-N 2.83Å; A116-G118 VanDerWaalsContact O-N 3.09Å; G118-T120 PolarHBondContact O-N 2.76Å | ||
| 119 | M | 35.4 | Very low | 48.7 | Very low | 81 Ų | 81 | 93.3 Ų | 93.3 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | trans | -81.8 | 83.1 | 176.9 | -72.7 | -169.4 | 171.6 | 0 | 0 | 111.3 | D111 T121 | D111-M119 HydrophobicContact CB-CE 3.79Å; D111-M119 WeakPolarHBondContact O-CE 3.48Å; D111-M119 WeakPolarHBondContact OD2-CE 3.14Å; M119-T121 PolarHBondContact O-N 3.45Å | ||
| 120 | T | 28.1 | Very low | 46.3 | Very low | 132 Ų | 132 | 102.9 Ų | 102.9 | 81% | 0.81 | 57% | 0.567 | S | S | * | * | trans | -83.9 | 60.7 | 152.2 | -59.8 | 0 | 0 | 0 | 0 | 108 | G118 | G118-T120 PolarHBondContact O-N 2.76Š| ||
| 121 | T | 30.9 | Very low | 44.2 | Very low | 45 Ų | 45 | 103.2 Ų | 103.2 | 28% | 0.276 | 58% | 0.576 | S | S | . | * | trans | -90.5 | 116.1 | 162.7 | 47 | 0 | 0 | 0 | 0 | 106.5 | L107 M119 T123 | L107-T121 HydrophobicContact CD1-CG2 3.76Å; L107-T121 HydrophobicContact CD2-CG2 3.24Å; L107-T121 HydrophobicContact CG-CG2 4.14Å; M119-T121 PolarHBondContact O-N 3.45Å; T121-T123 PolarHBondContact O-N 3.26Å; T121-T123 PolarHBondContact OG1-OG1 3.24Å | ||
| 122 | R | 30.2 | Very low | 42.2 | Very low | 228 Ų | 228 | 105.9 Ų | 105.9 | 86% | 0.86 | 60% | 0.599 | S | S | * | * | trans | -70.5 | 61.7 | 162.7 | -66.3 | 178.8 | 176.4 | 179.7 | -0.6 | 107.5 | I92 | I92-R122 WeakPolarHBondContact CD1-O 3.34Š| ||
| 123 | T | 33.9 | Very low | 41 | Very low | 48 Ų | 48 | 110.4 Ų | 110.4 | 29% | 0.294 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 135.1 | 173.2 | -54.5 | 0 | 0 | 0 | 0 | 107.8 | I71 T121 V125 | I71-T123 HydrophobicContact CD1-CG2 3.86Å; T121-T123 PolarHBondContact O-N 3.26Å; T121-T123 PolarHBondContact OG1-OG1 3.24Å; T123-V125 WeakPolarHBondContact O-CG2 3.25Å; T123-V125 PolarHBondContact O-N 3.47Å |
| 124 | P | 38.2 | Very low | 40.8 | Very low | 34 Ų | 34 | 111.4 Ų | 111.4 | 22% | 0.221 | 61% | 0.612 | C | S | . | * | P | Polyproline II helix | trans | -93.7 | 122.5 | -167.3 | 42.4 | -29.8 | 0 | 0 | 0 | 107.4 | A69 I92 | A69-P124 VanDerWaalsContact C-CG 3.42Å; A69-P124 HydrophobicContact CB-CB 3.12Å; A69-P124 HydrophobicContact CB-CG 3.08Å; I92-P124 HydrophobicContact CB-CG 4.44Å; I92-P124 HydrophobicContact CD1-CB 3.91Å; I92-P124 HydrophobicContact CD1-CG 3.51Å; I92-P124 HydrophobicContact CG1-CB 4.4Å; I92-P124 HydrophobicContact CG1-CG 3.64Å; I92-P124 HydrophobicContact CG2-CB 4.17Å; I92-P124 HydrophobicContact CG2-CG 3.97Å |
| 125 | V | 46.8 | Very low | 40.3 | Very low | 51 Ų | 51 | 119.5 Ų | 119.5 | 31% | 0.309 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -94.8 | 129.2 | -171.1 | -176.4 | 0 | 0 | 0 | 0 | 106.5 | D56 L57 T123 R127 | D56-V125 WeakPolarHBondContact O-CG1 3Å; L57-V125 HydrophobicContact CB-CG1 4.25Å; L57-V125 HydrophobicContact CD1-CB 3.94Å; L57-V125 HydrophobicContact CD1-CG1 3.7Å; L57-V125 HydrophobicContact CD1-CG2 4Å; T123-V125 WeakPolarHBondContact O-CG2 3.25Å; T123-V125 PolarHBondContact O-N 3.47Å; V125-R127 HydrophobicContact CB-CG 4.09Å; V125-R127 HydrophobicContact CG1-CG 3.96Å; V125-R127 PolarHBondContact O-N 3.26Å |
| 126 | M | 48.1 | Very low | 40 | Very low | 40 Ų | 40 | 120.8 Ų | 120.8 | 20% | 0.197 | 63% | 0.627 | C | S | . | * | trans | -65.2 | 91.2 | 154.5 | -177.7 | 174.2 | 163 | 0 | 0 | 106.7 | A47 | A47-M126 HydrophobicContact CB-CE 3.35Å; A47-M126 HydrophobicContact CB-SD 3.74Å | ||
| 127 | R | 51.5 | Low | 40.2 | Very low | 202 Ų | 202 | 121.6 Ų | 121.6 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | trans | -69.7 | 128.8 | 176.7 | -77.5 | -176.3 | 174.7 | -106.8 | -1.7 | 107.5 | V125 L129 | V125-R127 HydrophobicContact CB-CG 4.09Å; V125-R127 HydrophobicContact CG1-CG 3.96Å; V125-R127 PolarHBondContact O-N 3.26Å; R127-L129 PolarHBondContact O-N 3.3Å | ||
| 128 | P | 43.7 | Very low | 40.5 | Very low | 40 Ų | 40 | 119.1 Ų | 119.1 | 26% | 0.26 | 62% | 0.622 | S | S | . | * | trans | -53.5 | 133 | 173.1 | -26.5 | 34.2 | 0 | 0 | 0 | 111.8 | T52 R130 | T52-P128 HydrophobicContact CG2-CB 3.61Å; T52-P128 HydrophobicContact CG2-CG 3.58Å; P128-R130 PolarHBondContact O-N 3.22Å; P128-R130 VanDerWaalsContact O-N 3.08Å | ||
| 129 | L | 46.4 | Very low | 41.1 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 83% | 0.832 | 63% | 0.625 | S | S | * | * | trans | -61.2 | 111.9 | 167.1 | -70.2 | 167.1 | 0 | 0 | 0 | 108 | R127 S131 | R127-L129 PolarHBondContact O-N 3.3Å; L129-S131 PolarHBondContact O-N 3.42Å | ||
| 130 | R | 41.4 | Very low | 42.1 | Very low | 244 Ų | 244 | 127 Ų | 127 | 92% | 0.921 | 65% | 0.65 | S | S | * | * | trans | -64.6 | 105.1 | 171.4 | -74.7 | -177.2 | 177.6 | -97.8 | -1.7 | 108 | P128 S132 | P128-R130 PolarHBondContact O-N 3.22Å; P128-R130 VanDerWaalsContact O-N 3.08Å; R130-S132 PolarHBondContact O-N 2.74Å; R130-S132 VanDerWaalsContact O-N 3.15Å | ||
| 131 | S | 46.7 | Very low | 43 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | trans | -66.8 | 113.6 | 171.9 | 73.4 | 0 | 0 | 0 | 0 | 109.2 | L129 R133 | L129-S131 PolarHBondContact O-N 3.42Å; S131-R133 PolarHBondContact O-N 2.98Å | ||
| 132 | S | 43.6 | Very low | 43.9 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -73.5 | 71.5 | 165.5 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | R130 T134 | R130-S132 PolarHBondContact O-N 2.74Å; R130-S132 VanDerWaalsContact O-N 3.15Å; S132-T134 PolarHBondContact O-N 3.03Å; S132-T134 VanDerWaalsContact O-N 3.07Å | ||
| 133 | R | 45.1 | Very low | 44.7 | Very low | 220 Ų | 220 | 127.3 Ų | 127.3 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | trans | -77 | 96.5 | 170.9 | -80.3 | -175.7 | 177.8 | -131.3 | 1.1 | 109.2 | S131 R135 | S131-R133 PolarHBondContact O-N 2.98Å; R133-R135 PolarHBondContact O-N 3.17Å | ||
| 134 | T | 44.5 | Very low | 45.4 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -57.6 | 124.9 | 156.9 | 49 | 0 | 0 | 0 | 0 | 107.8 | S132 S136 | S132-T134 PolarHBondContact O-N 3.03Å; S132-T134 VanDerWaalsContact O-N 3.07Å; T134-S136 PolarHBondContact O-N 3.37Å; T134-S136 VanDerWaalsContact O-N 3.08Å | ||
| 135 | R | 42.4 | Very low | 45.9 | Very low | 248 Ų | 248 | 136.9 Ų | 136.9 | 94% | 0.936 | 73% | 0.725 | S | S | * | * | trans | -68.4 | 103.3 | 175.6 | -71.4 | 174.3 | 176.4 | -115.9 | 0.9 | 108.1 | R133 | R133-R135 PolarHBondContact O-N 3.17Š| ||
| 136 | S | 41.6 | Very low | 45.5 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 121.4 | 157.6 | 54.4 | 0 | 0 | 0 | 0 | 108.4 | T134 | T134-S136 PolarHBondContact O-N 3.37Å; T134-S136 VanDerWaalsContact O-N 3.08Å |
| 137 | S | 41.7 | Very low | 45.5 | Very low | 110 Ų | 110 | 151.7 Ų | 151.7 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.8 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 138 | P | 41.6 | Very low | 45.2 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 150.5 | -178.8 | 28.9 | -32.9 | 0 | 0 | 0 | 112.3 | ||
| 139 | P | 42 | Very low | 45.3 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 71% | 0.708 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 134.2 | 179.9 | 26.6 | -31.4 | 0 | 0 | 0 | 111.9 | F141 | P139-F141 PolarHBondContact O-N 2.72Š|
| 140 | Q | 55.2 | Low | 45.2 | Very low | 200 Ų | 200 | 154.7 Ų | 154.7 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 118.1 | 174 | -65.9 | -172.4 | 2.5 | 0 | 0 | 110 | ||
| 141 | F | 46.7 | Very low | 45.4 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -88.4 | 113.4 | 166.7 | -87.7 | -90.3 | 0 | 0 | 0 | 109.5 | P139 | P139-F141 PolarHBondContact O-N 2.72Š| ||
| 142 | S | 51.5 | Low | 45.4 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -78.1 | 117.9 | 171.2 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 143 | S | 45.3 | Very low | 45.5 | Very low | 95 Ų | 95 | 155.8 Ų | 155.8 | 66% | 0.664 | 84% | 0.835 | S | S | * | * | trans | -86.8 | 106.1 | 174.4 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | H145 | S143-H145 PolarHBondContact O-N 3.48Š| ||
| 144 | A | 50.4 | Low | 45.5 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | -83.9 | 99 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 145 | H | 47.1 | Very low | 45.6 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 83% | 0.833 | 84% | 0.839 | S | S | * | * | trans | -85.9 | 130 | 163 | -84 | 70.7 | 0 | 0 | 0 | 109.1 | S143 | S143-H145 PolarHBondContact O-N 3.48Š| ||
| 146 | G | 38 | Very low | 45.8 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | -80 | 156.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 147 | R | 49.1 | Very low | 46.2 | Very low | 329 Ų | 329 | 147.8 Ų | 147.8 | 100% | 1.242 | 83% | 0.834 | S | S | * | * | -172.3 | 0 | 115 | -98.7 | -179.9 | -178.2 | -125.9 | 1.4 | 108.7 |
Retrieved 147 of 147 residues in 57.6 ms
(Link to these results)